ORCID Profile
0000-0002-2770-5014
Current Organisations
National University of Singapore
,
QUT
,
Queensland University of Technology
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In Research Link Australia (RLA), "Research Topics" refer to ANZSRC FOR and SEO codes. These topics are either sourced from ANZSRC FOR and SEO codes listed in researchers' related grants or generated by a large language model (LLM) based on their publications.
Numerical Modelling and Mechanical Characterisation | Mechanical Engineering | Biomechanical Engineering | Manufacturing Engineering | Materials Engineering | Nanoscale Characterisation | Fluid mechanics and thermal engineering | Computational methods in fluid flow heat and mass transfer (incl. computational fluid dynamics) | Food Processing | Materials engineering | Automotive Safety Engineering | Sensor Technology (Chemical aspects) | Food Engineering | Chemical Characterisation of Materials | Manufacturing Engineering Not Elsewhere Classified | Automotive Combustion and Fuel Engineering (incl. Alternative/Renewable Fuels) | Computer Hardware not elsewhere classified | Polymers and plastics | Composite and hybrid materials | Nanotechnology | Computer Hardware | Polymers and Plastics | Engineering/Technology Instrumentation | Microtechnology | Biomedical Engineering Not Elsewhere Classified | Cad/Cam Systems | Ceramics | Biomechanics | Composite and Hybrid Materials | Physical properties of materials | Medical Devices | Mechanical Engineering not elsewhere classified | Food Sciences | Nanotechnology not elsewhere classified | Numerical modelling and mechanical characterisation | Nanomaterials | Human Movement and Sports Science | Tribology | Microelectromechanical Systems (MEMS) | Materials Engineering Not Elsewhere Classified | Numerical Analysis
Expanding Knowledge in Engineering | Manufacturing not elsewhere classified | Expanding Knowledge in Technology | Application packages | Environmentally Sustainable Manufacturing not elsewhere classified | Horticultural Crops not elsewhere classified | Information and Communication Services not elsewhere classified | Machined Metal Products | Industrial Machinery and Equipment | Health not elsewhere classified | Manufactured products not elsewhere classified | Processed Food Products and Beverages (excl. Dairy Products) not elsewhere classified | Energy Transformation not elsewhere classified | Road Safety | Urban and Industrial Air Quality | Other | Instrumentation not elsewhere classified | Health and Support Services not elsewhere classified | Semi-finished products | Surgical methods and procedures | Expanding Knowledge in the Medical and Health Sciences | Scientific instrumentation | Diagnostic Methods | Scientific Instruments | Expanding Knowledge in the Biological Sciences | Health Status (e.g. Indicators of Well-Being) |
Publisher: Elsevier BV
Date: 02-2015
Publisher: Elsevier BV
Date: 05-2021
Publisher: Trans Tech Publications Ltd.
Date: 09-02-2008
Publisher: World Scientific Pub Co Pte Lt
Date: 02-2013
DOI: 10.1142/S0219876213400112
Abstract: In this paper, a hybrid smoothed finite element method (H-SFEM) is developed for solid mechanics problems by combining techniques of finite element method (FEM) and node-based smoothed finite element method (NS-FEM) using a triangular mesh. A parameter α is equipped into H-SFEM, and the strain field is further assumed to be the weighted average between compatible stains from FEM and smoothed strains from NS-FEM. We prove theoretically that the strain energy obtained from the H-SFEM solution lies in between those from the compatible FEM solution and the NS-FEM solution, which guarantees the convergence of H-SFEM. Intensive numerical studies are conducted to verify these theoretical results and show that (1) the upper- and lower-bound solutions can always be obtained by adjusting α (2) there exists a preferable α at which the H-SFEM can produce the ultrasonic accurate solution.
Publisher: Elsevier BV
Date: 10-2003
Publisher: Wiley
Date: 06-09-2020
Publisher: American Chemical Society (ACS)
Date: 11-12-2019
Publisher: Author(s)
Date: 2017
DOI: 10.1063/1.4984721
Publisher: Springer Science and Business Media LLC
Date: 25-02-2020
Publisher: Australian Mathematical Publishing Association, Inc.
Date: 23-04-2014
Publisher: Royal Society of Chemistry (RSC)
Date: 2018
DOI: 10.1039/C7SM01465A
Abstract: A meshfree-based 3-D computational model to study the morphological behaviour of plant cells.
Publisher: Elsevier BV
Date: 12-2011
Publisher: IOP Publishing
Date: 03-12-2014
Publisher: American Chemical Society (ACS)
Date: 12-10-2020
Publisher: Springer Science and Business Media LLC
Date: 28-03-2001
Publisher: Trans Tech Publications, Ltd.
Date: 05-2014
DOI: 10.4028/WWW.SCIENTIFIC.NET/AMM.553.582
Abstract: A theoretical model is developed for the analysis of piston secondary motion. Based on this model, the slap force of a specific L6 diesel engine was compared when considering different boundary conditions, such as lubricating oil on cylinder liner, surface roughness, deformation of cylinder liner and piston skirt. It is concluded that it is necessary to consider the secondary motion of piston in the analysis of the inner excitation for an internal combustion engine. A more comprehensive consideration of the boundary condition (i.e., more close to the actual condition) will lead to a smaller maximum slap force, and among all boundary conditions considered in this paper, the structural deformation of the piston skirt and cylinder liner is the most influential factor. The theoretical model developed and findings obtained in this study will benefit the future analysis and design of advanced internal combustion engine structures.
Publisher: Elsevier BV
Date: 07-2023
Publisher: Wiley
Date: 2001
DOI: 10.1002/1097-0207(20010210)50:4<937::AID-NME62>3.0.CO;2-X
Publisher: SAGE Publications
Date: 09-2012
DOI: 10.1260/2041-4196.3.3.257
Abstract: Road safety barriers are used to minimise the severity of road accidents and protect lives and property. There are several types of barrier in use today. This paper reports the initial phase of research carried out to study the impact response of portable water-filled barrier (PWFB) which has the potential to absorb impact energy and hence provide crash mitigation under low to moderate speeds. Current research on the impact and energy absorption capacity of water-filled road safety barriers is limited due to the complexity of fluid-structure interaction under dynamic impact. In this paper, a novel fluid-structure interaction method is developed based on the combination of Smooth Particle Hydrodynamics (SPH) and Finite Element Method (FEM). The sloshing phenomenon of water inside a PWFB is investigated to explore the energy absorption capacity of water under dynamic impact. It was found that water plays an important role in energy absorption. The coupling analysis developed in this paper will provide a platform to further the research in optimising the behaviour of the PWFB. The effect of the amount of water on its energy absorption capacity is investigated and the results have practical applications in the design of PWFBs.
Publisher: Elsevier BV
Date: 09-2001
Publisher: World Scientific Pub Co Pte Ltd
Date: 08-06-2023
DOI: 10.1142/S0219876223500135
Abstract: Physics-informed neural network (PINN) has recently gained increasing interest in computational mechanics. This work extends the PINN to computational solid mechanics problems. Our focus will be on the investigation of various formulation and programming techniques, when governing equations of solid mechanics are implemented. Two prevailingly used physics-informed loss functions for PINN-based computational solid mechanics are implemented and examined. Numerical ex les ranging from 1D to 3D solid problems are presented to show the performance of PINN-based computational solid mechanics. The programs are built via Python with TensorFlow library with step-by-step explanations and can be extended for more challenging applications. This work aims to help the researchers who are interested in the PINN-based solid mechanics solver to have a clear insight into this emerging area. The programs for all the numerical ex les presented in this work are available at github.com/JinshuaiBai/PINN_Comp_Mech .
Publisher: Elsevier BV
Date: 08-2014
Publisher: Wiley
Date: 15-02-2016
Publisher: Tsinghua University Press
Date: 02-2005
Publisher: Elsevier BV
Date: 08-2014
Publisher: Australian Mathematical Publishing Association, Inc.
Date: 07-05-2014
Publisher: Trans Tech Publications, Ltd.
Date: 05-2014
DOI: 10.4028/WWW.SCIENTIFIC.NET/AMM.553.109
Abstract: Numerical simulations of thermomagnetic convection of paramagnetic fluids placed in a micro-gravity condition (g ≈ 0) and under a uniform vertical gradient magnetic field in an open ended square enclosure with r heating temperature condition applied on a vertical wall is investigated in this study. In presence of the strong magnetic gradient field thermal convection of the paramagnetic fluid might take place even in a zero-gravity environment as a direct consequence of temperature differences occurring within the fluid. The thermal boundary layer develops adjacent to the hot wall as soon as the r temperature condition is applied on it. There are two scenario that can be observed based on the r heating time. The steady state of the thermal boundary layer can be reached before the r time is finished or vice versa. If the r time is larger than the quasi-steady time then the thermal boundary layer is in a quasi-steady mode with convection balancing conduction after the quasi-steady time. Further increase of the heat input simply accelerates the flow to maintain the proper thermal balance. Finally, the boundary layer becomes completely steady state when the r time is finished. Effects of magnetic Rayleigh number, Prandtl number and paramagnetic fluid parameter on the flow pattern and heat transfer are presented.
Publisher: Elsevier BV
Date: 12-2018
Publisher: Australian Mathematical Publishing Association, Inc.
Date: 16-07-2012
Publisher: Elsevier BV
Date: 2021
Publisher: Elsevier BV
Date: 06-2020
Publisher: Elsevier BV
Date: 09-2015
Publisher: Springer Science and Business Media LLC
Date: 21-11-2022
Publisher: Trans Tech Publications, Ltd.
Date: 09-2011
DOI: 10.4028/WWW.SCIENTIFIC.NET/AMR.328-330.1239
Abstract: Molecular dynamics (MD) simulations have been carried out to investigate the defect’s effect on the mechanical properties of copper nanowire with different crystallographic orientations, under tensile deformation. Three different crystallographic orientations have been considered. The deformation mechanism has been carefully discussed. It is found that the Young’s modulus is insensitive to the defect, even when the nanowire’s crystallographic orientation is different. However, due to the defect’s effect, the yield strength and yield strain appear a large decrease. The defects have played a role of dislocation sources, the slips or stacking faults are first generated around the locations of the defects. The necking locations have also been affected by different defects. Due to the surface defect, the plastic deformation has received a large influence for the and orientated nanowires, and a relative small influence is seen for the nanowire.
Publisher: Elsevier BV
Date: 10-2016
Publisher: World Scientific Pub Co Pte Lt
Date: 12-2013
DOI: 10.1142/S2047684113500206
Abstract: Graphene has been reported with record-breaking properties which have opened up huge potential applications. A considerable research has been devoted to manipulate or modify the properties of graphene to target a more smart nanoscale device. Graphene and carbon nanotube hybrid structure (GNHS) is one of the promising graphene derivative, whose mechanical properties have been rarely discussed in literature. Therefore, the mechanical properties of GNHS is studied in this paper based on the large-scale molecular dynamics simulation. The target GNHS is constructed by considering two separate graphene layers that are being connected by single-wall carbon nanotubes (SWCNTs) according to the experimental observations. It is found that the GNHSs exhibit much lower yield strength, Young's modulus, and earlier yielding compared to bilayer graphene sheet. Fracture of GNHSs is found to initiate at the connecting region between carbon nanotubes (CNTs) and graphene. After failure, monatomic chains are normally observed at the front of the failure region, and the two graphene layers at the failure region without connecting CNTs will adhere to each other, generating a bilayer graphene sheet scheme (with a layer distance about 3.4 Å). This study will enrich the current understanding of the mechanical performance of GNHS, which will guide the design of GNHS and shed light on its various applications.
Publisher: Elsevier BV
Date: 04-2015
Publisher: Royal Society of Chemistry (RSC)
Date: 2021
DOI: 10.1039/D1NR00356A
Abstract: Polymer nanocomposites with regularly aligned and evenly distributed carbon nanothreads exhibit better thermal conductivity than their counterparts with randomly dispersed nanofillers or nanofillers with functional groups.
Publisher: Springer Science and Business Media LLC
Date: 02-2002
Publisher: Trans Tech Publications, Ltd.
Date: 05-2014
DOI: 10.4028/WWW.SCIENTIFIC.NET/AMM.553.310
Abstract: The mechanical properties of microfilament networks are systematically summarized at different special scales in this paper. We have presented the mechanical models of single microfilaments and microfilament networks at microscale. By adopting a coarse-grained simulation strategy, the mechanical stability of microfilaments related cellular structures are analysed. Structural analysis is conducted to microfilament networks to understand the stress relaxation under compression. The nanoscale molecular mechanisms of the microfilaments deformation is also summarized from the viewpoint of molecular dynamics simulation. This paper provides the fundaments of multiscale modelling framework for the mechanical behaviours simulation of hierarchical microfilament networks.
Publisher: Beilstein Institut
Date: 31-07-2019
Abstract: The excellent mechanical properties of graphyne (GY) have made it an appealing candidate in the field of impact protection. We assessed the deformation mechanisms of monolayer GY nanosheets of different morphologies, including α-GY, β-GY, γ-GY and 6612-GY, under supersonic-velocity impacts (from 1 to 6 km/s) based on in silico studies. Generally, cracks initiate at the geometry center and the nanosheet experiences significant out-of-plane deformation before the propagation of cracks. Tracking the atomic von Mises stress distribution, it is found that its cumulative density function has a strong correlation with the magnitude of the Young’s modulus of the GYs. For nanosheets with a higher Young’s modulus, it tends to transfer momentum at a faster rate. Thus, a better energy dissipation or delocalization is expected during impact. This study provides a fundamental understanding of the deformation and penetration mechanisms of monolayer GY nanosheets under impact, which is crucial in order to facilitate their emerging applications for impact protection.
Publisher: Elsevier BV
Date: 05-2019
Publisher: Wiley
Date: 24-05-2016
Publisher: Springer Science and Business Media LLC
Date: 13-05-2010
Publisher: Elsevier BV
Date: 12-2019
Publisher: Springer Science and Business Media LLC
Date: 31-08-2005
Publisher: Springer Science and Business Media LLC
Date: 12-2017
Publisher: American Chemical Society (ACS)
Date: 10-2019
Publisher: American Chemical Society (ACS)
Date: 06-08-2020
Publisher: American Scientific Publishers
Date: 04-2011
Publisher: MDPI AG
Date: 20-05-2020
Abstract: The knowledge of respiratory particle transport in the extra-thoracic pathways is essential for the estimation of lung health-risk and optimization of targeted drug delivery. The published literature reports that a significant fraction of the inhaled aerosol particles are deposited in the upper airways, and available inhalers can deliver only a small amount of drug particles to the deeper airways. To improve the targeted drug delivery efficiency to the lungs, it is important to reduce the drug particle deposition in the upper airways. This study aims to minimize the unwanted aerosol particle deposition in the upper airways by employing a gas mixture model for the aerosol particle transport within the upper airways. A helium–oxygen (heliox) mixture (80% helium and 20% oxygen) model is developed for the airflow and particle transport as the heliox mixture is less dense than air. The mouth–throat and upper airway geometry are extracted from CT-scan images. Finite volume based ANSYS Fluent (19.2) solver is used to simulate the airflow and particle transport in the upper airways. Tecplot software and MATLAB code are employed for the airflow and particle post-processing. The simulation results show that turbulence intensity for heliox breathing is lower than in the case of air-breathing. The less turbulent heliox breathing eventually reduces the deposition efficiency (DE) at the upper airways than the air-breathing. The present study, along with additional patient-specific investigation, could improve the understanding of particle transport in upper airways, which may also increase the efficiency of aerosol drug delivery.
Publisher: AIP Publishing
Date: 21-05-2013
DOI: 10.1063/1.4805029
Publisher: Informa UK Limited
Date: 16-07-2014
DOI: 10.1080/10255842.2012.706279
Abstract: The mechanical vibration properties of single actin filaments from 50 to 288 nm are investigated by the molecular dynamics simulation in this study. The natural frequencies obtained from the molecular simulations agree with those obtained from the analytical solution of the equivalent Euler-Bernoulli beam model. Through the convergence study of the mechanical properties with respect to the filament length, it was found that the Euler-Bernoulli beam model can only be reliably used when the single actin filament is of the order of hundreds of nanometre scale. This molecular investigation not only provides the evidence for the use of the continuum beam model in characterising the mechanical properties of single actin filaments, but also clarifies the criteria for the effective use of the Euler-Bernoulli beam model.
Publisher: American Chemical Society (ACS)
Date: 02-12-2015
Publisher: Trans Tech Publications, Ltd.
Date: 10-2010
DOI: 10.4028/WWW.SCIENTIFIC.NET/AMR.139-141.893
Abstract: To accurately and effectively simulate large deformation is one of the major challenges in numerical modeling of metal forming. In this paper, an adaptive local meshless formulation based on the meshless shape functions and the local weak-form is developed for the large deformation analysis. Total Lagrangian (TL) and the Updated Lagrangian (UL) approaches are used and thoroughly compared each other in computational efficiency and accuracy. It has been found that the developed meshless technique provides a superior performance to the conventional FEM in dealing with large deformation problems for metal forming. In addition, the TL has better computational efficiency than the UL. However, the adaptive analysis is much more efficient using in the UL approach than using in the TL approach.
Publisher: Elsevier BV
Date: 09-2016
Publisher: Informa UK Limited
Date: 09-08-2018
Publisher: World Scientific Pub Co Pte Lt
Date: 12-2005
DOI: 10.1142/S0219876205000673
Abstract: In recent years, one of the hottest topics in computational mechanics is the meshfree or meshless method. Increasing number of researchers are devoting themselves to the research of the meshfree methods, and a group of meshfree methods have been proposed and used to solve the ordinary differential equations (ODEs) or the partial differential equations (PDE). In the meantime, meshfree methods are being applied to a growing number of practical engineering problems. In this paper, a detailed discussion will be provided on the development of meshfree methods. First, categories of meshfree methods are introduced. Second, the methods for constructing meshfree shape functions are discussed, and the interpolation qualities of them are also studied using the surface fitting. Third, several typical meshfree methods are introduced and compared with each others in terms of their accuracy, convergence and effectivity. Finally, the major technical issues in meshfree methods are discussed, and the future development of meshfree methods is addressed.
Publisher: Beilstein Institut
Date: 20-03-2014
DOI: 10.3762/BJNANO.5.37
Abstract: Doping is an effective approach that allows for the intrinsic modification of the electrical and chemical properties of nanomaterials. Recently, a graphene and carbon nanotube hybrid structure (GNHS) has been reported, which extends the excellent properties of carbon-based materials to three dimensions. In this paper, we carried out a first-time investigation on the tensile properties of the hybrid structures with different dopants. It is found that with the presence of dopants, the hybrid structures usually exhibit lower yield strength, Young’s modulus, and earlier yielding compared to that of a pristine hybrid structure. For dopant concentrations below 2.5% no significant reduction of Young’s modulus or yield strength could be observed. For all considered s les, the failure is found to initiate at the region where the nanotubes and graphene sheets are connected. After failure, monatomic chains are normally observed around the failure region. Dangling graphene layers without the separation of a residual CNT wall are found to adhere to each other after failure with a distance of about 3.4 Å. This study provides a fundamental understanding of the tensile properties of the doped graphene–nanotube hybrid structures, which will benefit the design and also the applications of graphene-based hybrid materials.
Publisher: Society for Industrial & Applied Mathematics (SIAM)
Date: 2006
DOI: 10.1137/060654232
Publisher: Elsevier BV
Date: 11-2015
DOI: 10.1016/J.JMBBM.2015.07.018
Abstract: Solid-interstitial fluid interaction, which depends on tissue permeability, is significant to the strain-rate-dependent mechanical behavior of humeral head (shoulder) cartilage. Due to anatomical and biomechanical similarities to that of the human shoulder, kangaroos present a suitable animal model. Therefore, indentation experiments were conducted on kangaroo shoulder cartilage tissues from low (10(-4)/s) to moderately high (10(-2)/s) strain-rates. A porohyperelastic model was developed based on the experimental characterization and a permeability function that takes into account the effect of strain-rate on permeability (strain-rate-dependent permeability) was introduced into the model to investigate the effect of rate-dependent fluid flow on tissue response. The prediction of the model with the strain-rate-dependent permeability was compared with those of the models using constant permeability and strain-dependent permeability. Compared to the model with constant permeability, the models with strain-dependent and strain-rate-dependent permeability were able to better capture the experimental variation at all strain-rates (p < 0.05). Significant differences were not identified between models with strain-dependent and strain-rate-dependent permeability at strain-rate of 5 × 10(-3)/s (p = 0.179). However, at strain-rate of 10(-2)/s, the model with strain-rate-dependent permeability was significantly better at capturing the experimental results (p < 0.005). The findings thus revealed the significance of rate-dependent fluid flow on tissue behavior at large strain-rates, which provides insights into the mechanical deformation mechanisms of cartilage tissues.
Publisher: Elsevier
Date: 2016
Publisher: Elsevier BV
Date: 02-2017
Publisher: Elsevier BV
Date: 08-2017
Publisher: Wiley
Date: 04-02-2022
Abstract: Food processing is a complex, multifaceted problem that requires substantial human interaction to optimize the various process parameters to minimize energy consumption and ensure better‐quality products. The development of a machine learning (ML)‐based approach to food processing applications is an exciting and innovative idea for optimizing process parameters and process kinetics to reduce energy consumption, processing time, and ensure better‐quality products however, developing such a novel approach requires significant scientific effort. This paper presents and evaluates ML‐based approaches to various food processing operations such as drying, frying, baking, canning, extrusion, encapsulation, and fermentation to predict process kinetics. A step‐by‐step procedure to develop an ML‐based model and its practical implementation is presented. The key challenges of neural network training and testing algorithms and their limitations are discussed to assist readers in selecting algorithms for solving problems specific to food processing. In addition, this paper presents the potential and challenges of applying ML‐based techniques to hybrid food processing operations. The potential of physics‐informed ML modeling techniques for food processing applications and their strategies is also discussed. It is expected that the potential information of this paper will be valuable in advancing the ML‐based technology for food processing applications.
Publisher: MDPI AG
Date: 07-01-2020
Abstract: The understanding of complex inhalation and transport processes of pollutant particles through the human respiratory system is important for investigations into dosimetry and respiratory health effects in various settings, such as environmental or occupational health. The studies over the last few decades for micro- and nanoparticle transport and deposition have advanced the understanding of drug-aerosol impacts in the mouth-throat and the upper airways. However, most of the Lagrangian and Eulerian studies have utilized the non-realistic symmetric anatomical model for airflow and particle deposition predictions. Recent improvements to visualization techniques using high-resolution computed tomography (CT) data and the resultant development of three dimensional (3-D) anatomical models support the realistic representation of lung geometry. Yet, the selection of different modelling approaches to analyze the transitional flow behavior and the use of different inlet and outlet conditions provide a dissimilar prediction of particle deposition in the human lung. Moreover, incorporation of relevant physical and appropriate boundary conditions are important factors to consider for the more accurate prediction of transitional flow and particle transport in human lung. This review critically appraises currently available literature on airflow and particle transport mechanism in the lungs, as well as numerical simulations with the aim to explore processes involved. Numerical studies found that both the Euler–Lagrange (E-L) and Euler–Euler methods do not influence nanoparticle (particle diameter ≤50 nm) deposition patterns at a flow rate ≤25 L/min. Furthermore, numerical studies demonstrated that turbulence dispersion does not significantly affect nanoparticle deposition patterns. This critical review aims to develop the field and increase the state-of-the-art in human lung modelling.
Publisher: Elsevier BV
Date: 04-2022
Publisher: Elsevier BV
Date: 07-2017
Publisher: Elsevier BV
Date: 03-2019
Publisher: American Chemical Society (ACS)
Date: 20-12-2014
DOI: 10.1021/JP4109442
Publisher: MDPI AG
Date: 16-08-2016
DOI: 10.3390/MA9080697
Publisher: Elsevier BV
Date: 05-2012
Publisher: World Scientific Pub Co Pte Lt
Date: 12-2005
Publisher: Royal Society of Chemistry (RSC)
Date: 2021
DOI: 10.1039/D0TC06021F
Abstract: A novel AgO monolayer is highlighted with ferroelasticity tuned anisotropic mechanical and electronic properties.
Publisher: AIP Publishing
Date: 08-2021
DOI: 10.1063/5.0061627
Abstract: The recent outbreak of the COVID-19 causes significant respirational health problems, including high mortality rates worldwide. The deadly corona virus-containing aerosol enters the atmospheric air through sneezing, exhalation, or talking, assembling with the particulate matter, and subsequently transferring to the respiratory system. This recent outbreak illustrates that the severe acute respiratory syndrome (SARS) coronavirus-2 is deadlier for aged people than for other age groups. It is evident that the airway diameter reduces with age, and an accurate understanding of SARS aerosol transport through different elderly people's airways could potentially help the overall respiratory health assessment, which is currently lacking in the literature. This first-ever study investigates SARS COVID-2 aerosol transport in age-specific airway systems. A highly asymmetric age-specific airway model and fluent solver (ANSYS 19.2) are used for the investigation. The computational fluid dynamics measurement predicts higher SARS COVID-2 aerosol concentration in the airway wall for older adults than for younger people. The numerical study reports that the smaller SARS coronavirus-2 aerosol deposition rate in the right lung is higher than that in the left lung, and the opposite scenario occurs for the larger SARS coronavirus-2 aerosol rate. The numerical results show a fluctuating trend of pressure at different generations of the age-specific model. The findings of this study would improve the knowledge of SARS coronavirus-2 aerosol transportation to the upper airways which would thus ameliorate the targeted aerosol drug delivery system.
Publisher: Elsevier BV
Date: 10-2012
Publisher: World Scientific Pub Co Pte Lt
Date: 25-07-2019
DOI: 10.1142/S0219876219500609
Abstract: Modeling and simulation of the acoustic response in enclosed cavities of a diesel engine are of great significance for optimal design of an engine to achieve a better acoustic performance. Nevertheless, the use of the traditional finite element method (FEM) for the mid to high frequency acoustic prediction is limited by the well-known numerical dispersion errors and the tedious preprocessing of the model. Smoothed finite element methods (SFEMs) proposed originally for solid mechanics have been employed for the modeling of acoustic problems in the low to medium frequency ranges whilst acoustic modeling in the mid to high frequency range remains untouched. This paper comprehensively investigates into the performance of SFEMs in modeling and simulation of mid to high frequency acoustic problems. It is shown that the mass-redistributed edge-based smoothed finite element method (MR-ES-FEM) can yield an excellent prediction result in the mid to high frequency range in terms of accuracy, efficiency and robustness. The MR-ES-FEM is also used to simulate sound propagation in a cylinder head chamber of a four-cylinder diesel engine to prove its effectiveness. The findings presented in this paper offer an in-depth insight for engineers to select suitable numerical methods for solving mid to high frequency acoustic problems in the design of diesel engines.
Publisher: Trans Tech Publications Ltd.
Date: 09-02-2008
Publisher: Elsevier BV
Date: 04-2018
Publisher: Trans Tech Publications, Ltd.
Date: 07-2016
DOI: 10.4028/WWW.SCIENTIFIC.NET/AMM.846.270
Abstract: The red blood cell (RBC) membrane consists of a lipid bilayer and spectrin-based cytoskeleton, which enclose haemoglobin-rich fluid. Numerical models of RBCs typically integrate the two membrane components into a single layer, preventing investigation of bilayer-cytoskeleton interaction. To address this constraint, a new RBC model which considers the bilayer and cytoskeleton separately is developed using the discrete element method (DEM). This is completed in 2D as a proof-of-concept, with an extension to 3D planned in the future. Resting RBC morphology predicted by the two-layer model is compared to an equivalent and well-established composite (one-layer) model with excellent agreement for critical cell dimensions. A parametric study is performed where area reduction ratio and spring constants are varied. It is found that predicted resting geometry is relatively insensitive to changes in spring stiffness, but a shape variation is observed for reduction ratio changes as expected.
Publisher: Springer Science and Business Media LLC
Date: 14-04-2023
DOI: 10.1186/S40537-023-00727-2
Abstract: Data scarcity is a major challenge when training deep learning (DL) models. DL demands a large amount of data to achieve exceptional performance. Unfortunately, many applications have small or inadequate data to train DL frameworks. Usually, manual labeling is needed to provide labeled data, which typically involves human annotators with a vast background of knowledge. This annotation process is costly, time-consuming, and error-prone. Usually, every DL framework is fed by a significant amount of labeled data to automatically learn representations. Ultimately, a larger amount of data would generate a better DL model and its performance is also application dependent. This issue is the main barrier for many applications dismissing the use of DL. Having sufficient data is the first step toward any successful and trustworthy DL application. This paper presents a holistic survey on state-of-the-art techniques to deal with training DL models to overcome three challenges including small, imbalanced datasets, and lack of generalization. This survey starts by listing the learning techniques. Next, the types of DL architectures are introduced. After that, state-of-the-art solutions to address the issue of lack of training data are listed, such as Transfer Learning (TL), Self-Supervised Learning (SSL), Generative Adversarial Networks (GANs), Model Architecture (MA), Physics-Informed Neural Network (PINN), and Deep Synthetic Minority Overs ling Technique (DeepSMOTE). Then, these solutions were followed by some related tips about data acquisition needed prior to training purposes, as well as recommendations for ensuring the trustworthiness of the training dataset. The survey ends with a list of applications that suffer from data scarcity, several alternatives are proposed in order to generate more data in each application including Electromagnetic Imaging (EMI), Civil Structural Health Monitoring, Medical imaging, Meteorology, Wireless Communications, Fluid Mechanics, Microelectromechanical system, and Cybersecurity. To the best of the authors’ knowledge, this is the first review that offers a comprehensive overview on strategies to tackle data scarcity in DL.
Publisher: Springer Science and Business Media LLC
Date: 08-2002
Publisher: AIP Publishing
Date: 06-2019
DOI: 10.1063/1.5093498
Abstract: The use of magnetism for various microfluidic functions such as separation, mixing, and pumping has been attracting great interest from the research community as this concept is simple, effective, and of low cost. Magnetic control avoids common problems of active microfluidic manipulation such as heat, surface charge, and high ionic concentration. The majority of past works on micromagnetofluidic devices were experimental, and a comprehensive numerical model to simulate the fundamental transport phenomena in these devices is still lacking. The present study aims to develop a numerical model to simulate transport phenomena in microfluidic devices with ferrofluid and fluorescent dye induced by a nonuniform magnetic field. The numerical results were validated by experimental data from our previous work, indicating a significant increase in mass transfer. The model shows a reasonable agreement with experimental data for the concentration distribution of both magnetic and nonmagnetic species. Magnetoconvective secondary flow enhances the transport of nonmagnetic fluorescent dye. A subsequent parametric analysis investigated the effect of the magnetic field strength and nanoparticle size on the mass transfer process. Mass transport of the fluorescent dye is enhanced with increasing field strength and size of magnetic particles.
Publisher: World Scientific Pub Co Pte Lt
Date: 20-11-2011
DOI: 10.1142/S0219876211002745
Abstract: Recently, because of the new developments in sustainable engineering and renewable energy, which are usually governed by a series of fractional partial differential equations (FPDEs), the numerical modeling and simulation for fractional calculus are attracting more and more attention from researchers. The current dominant numerical method for modeling FPDE is finite difference method (FDM), which is based on a pre-defined grid leading to inherited issues or shortcomings including difficulty in simulation of problems with the complex problem domain and in using irregularly distributed nodes. Because of its distinguished advantages, the meshless method has good potential in simulation of FPDEs. This paper aims to develop an implicit meshless collocation technique for FPDE. The discrete system of FPDEs is obtained by using the meshless shape functions and the meshless collocation formulation. The stability and convergence of this meshless approach are investigated theoretically and numerically. The numerical ex les with regular and irregular nodal distributions are used to validate and investigate accuracy and efficiency of the newly developed meshless formulation. It is concluded that the present meshless formulation is very effective for the modeling and simulation of FPDEs.
Publisher: Informa UK Limited
Date: 12-02-2014
Publisher: Elsevier BV
Date: 04-2014
Publisher: Pan Stanford Publishing
Date: 08-04-2013
DOI: 10.1201/B14795-24
Publisher: Elsevier BV
Date: 08-2001
Publisher: Elsevier BV
Date: 08-2014
Publisher: Elsevier BV
Date: 10-2017
Publisher: Informa UK Limited
Date: 2012
Publisher: Wiley
Date: 23-06-2020
Publisher: AIP Publishing
Date: 13-10-2014
DOI: 10.1063/1.4898578
Abstract: We reported the thermal conductivity of the two-dimensional carbon nanotube (CNT)-based architecture, which can be constructed through welding of single-wall CNTs by electron beam. Using large-scale nonequilibrium molecular dynamics simulations, the thermal conductivity is found to vary with different junction types due to their different phonon scatterings at the junction. The strong length and strain dependence of the thermal conductivity suggests an effective avenue to tune the thermal transport properties of the CNT-based architecture, benefiting the design of nanoscale thermal rectifiers or phonon engineering.
Publisher: MDPI AG
Date: 28-07-2022
Abstract: Airway stenosis is a global respiratory health problem that is caused by airway injury, endotracheal intubation, malignant tumor, lung aging, or autoimmune diseases. A precise understanding of the airflow dynamics and pharmaceutical aerosol transport through the multi-stenosis airways is vital for targeted drug delivery, and is missing from the literature. The object of this study primarily relates to behaviors and nanoparticle transport through the multi-stenosis sections of the trachea and upper airways. The combination of a CT-based mouth–throat model and Weibel’s model was adopted in the ANSYS FLUENT solver for the numerical simulation of the Euler–Lagrange (E-L) method. Comprehensive grid refinement and validation were performed. The results from this study indicated that, for all flow rates, a higher velocity was usually found in the stenosis section. The maximum velocity was found in the stenosis section having a 75% reduction, followed by the stenosis section having a 50% reduction. Increasing flow rate resulted in higher wall shear stress, especially in stenosis sections. The highest pressure was found in the mouth–throat section for all flow rates. The lowest pressure was usually found in stenosis sections, especially in the third generation. Particle escape rate was dependent on flow rate and inversely dependent on particle size. The overall deposition efficiency was observed to be significantly higher in the mouth–throat and stenosis sections compared to other areas. However, this was proven to be only the case for a particle size of 1 nm. Moreover, smaller nanoparticles were usually trapped in the mouth–throat section, whereas larger nanoparticle sizes escaped through the lower airways from the left side of the lung this accounted for approximately 50% of the total injected particles, and 36% escaped from the right side. The findings of this study can improve the comprehensive understanding of airflow patterns and nanoparticle deposition. This would be beneficial in work with polydisperse particle deposition for treatment of comprehensive stenosis with specific drugs under various disease conditions.
Publisher: Elsevier BV
Date: 08-2023
Publisher: Elsevier BV
Date: 10-2018
DOI: 10.1016/J.JMBBM.2018.07.009
Abstract: Collagen is a common structural protein, providing mechanical integrity for various vertebrate connective tissues such as cartilage and bone. The mechanical behaviours of these tissues under physical stimulations are controlled by the hierarchical structure of collagen and its interactions with other extracellular matrix molecules. However, the mechanical properties and deformation mechanisms of natural collagen under physiological loading rates at the molecular level are not fully understood. In this study, comprehensive steered molecular dynamics (SMD) simulations were performed on the 2nd intact overlap region (d2ol) and the 2nd intact D-period (d2olgp) of an in-situ characterized collagen molecule, under a large range of strain rates (6.5 × 10
Publisher: Emerald
Date: 22-08-2008
Publisher: Elsevier BV
Date: 02-2016
Publisher: Trans Tech Publications, Ltd.
Date: 05-2014
DOI: 10.4028/WWW.SCIENTIFIC.NET/AMM.553.763
Abstract: Portable water-filled road barriers (PWFB) are roadside structures placed on temporary construction zones to separate work site from traffic. Recent changes in governing standards require PWFB to adhere to strict compliance in terms of lateral displacement and vehicle redirectionality. Actual PWFB test can be very costly, thus researchers resort to Finite Element Analysis (FEA) in the initial designs phase. There has been many research conducted on concrete barriers and flexible steel barriers using FEA, however not many was done pertaining to PWFB. This research probes a new technique to model joints in PWFB. Two methods to model the joining mechanism are presented and discussed in relation to its practicality and accuracy. Moreover, the study of the physical gap and mass of the barrier was investigated. Outcome from this research will benefit PWFB research and allow road barrier designers better knowledge in developing the next generation of road safety structures.
Publisher: American Chemical Society (ACS)
Date: 17-09-2018
DOI: 10.1021/ACS.JPCLETT.8B02349
Abstract: In situ tensile tests show atypical defect motions in the brittle Na
Publisher: Royal Society of Chemistry (RSC)
Date: 2021
DOI: 10.1039/D1CP02788C
Abstract: Due to their unique reversible polarization, 2D ferroelectrics are promising for nanodevice applications in ferroelectric field effect transistors, diodes and tunnel junctions.
Publisher: Springer Science and Business Media LLC
Date: 11-08-2004
Publisher: Wiley
Date: 22-07-2022
Abstract: To facilitate the biomedical applications of biocomposites, researchers have used different types of fillers to enhance their mechanical properties. However, the addition of fillers not only changes the mechanical performance of the biocomposites, but also affects their printability, that is, their rheological properties. With the aid of atomistic simulations, this work investigates the influence of graphene size and aggregation on the rheological properties of polycaprolactone (PCL) composites. For the same weight ratio, increasing the graphene size causes the viscosity of the PCL composite to increase until a threshold edge length equal to PCL's average radius of gyration. After this threshold value, the viscosity decreases with increasing edge length. The PCL composite with multilayered graphene exhibits a lower viscosity compared with its counterpart with monolayer graphene. Specifically, the addition of graphene is shown to augment the shear‐thinning effect. The findings in this work provide a fundamental understanding of the rheological property of PCL composites with the addition of 2D nanofillers, which shed light on the ink design for bioprinting.
Publisher: IEEE
Date: 08-2012
Publisher: Public Library of Science (PLoS)
Date: 07-07-2020
Publisher: American Chemical Society (ACS)
Date: 16-01-2015
DOI: 10.1021/JP5117905
Publisher: MDPI AG
Date: 24-08-2022
DOI: 10.3390/FI14090247
Abstract: The main challenge of the health risk assessment of the aerosol transport and deposition to the lower airways is the high computational cost. A standard large-scale airway model needs a week to a month of computational time in a high-performance computing system. Therefore, developing an innovative tool that accurately predicts transport behaviour and reduces computational time is essential. This study aims to develop a novel and innovative machine learning (ML) model to predict particle deposition to the lower airways. The first-ever study uses ML techniques to explore the pulmonary aerosol TD in a digital 17-generation airway model. The ML model uses the computational data for a 17-generation airway model and four standard ML regression models are used to save the computational cost. Random forest (RF), k-nearest neighbour (k-NN), multi-layer perceptron (MLP) and Gaussian process regression (GPR) techniques are used to develop the ML models. The MLP regression model displays more accurate estimates than other ML models. Finally, a prediction model is developed, and the results are significantly closer to the measured values. The prediction model predicts the deposition efficiency (DE) for different particle sizes and flow rates. A comprehensive lobe-specific DE is also predicted for various flow rates. This first-ever aerosol transport prediction model can accurately predict the DE in different regions of the airways in a couple of minutes. This innovative approach and accurate prediction will improve the literature and knowledge of the field.
Publisher: Elsevier BV
Date: 11-2017
DOI: 10.1016/J.JBIOMECH.2017.08.028
Abstract: To understand how to assess optimally the risks of inhaled particles on respiratory health, it is necessary to comprehend the uptake of ultrafine particulate matter by inhalation during the complex transport process through a non-dichotomously bifurcating network of conduit airways. It is evident that the highly toxic ultrafine particles damage the respiratory epithelium in the terminal bronchioles. The wide range of in silico available and the limited realistic model for the extrathoracic region of the lung have improved understanding of the ultrafine particle transport and deposition (TD) in the upper airways. However, comprehensive ultrafine particle TD data for the real and entire lung model are still unavailable in the literature. Therefore, this study is aimed to provide an understanding of the ultrafine particle TD in the terminal bronchioles for the development of future therapeutics. The Euler-Lagrange (E-L) approach and ANSYS fluent (17.2) solver were used to investigate ultrafine particle TD. The physical conditions of sleeping, resting, and light activity were considered in this modelling study. A comprehensive pressure-drop along five selected path lines in different lobes was calculated. The non-linear behaviour of pressure-drops is observed, which could aid the health risk assessment system for patients with respiratory diseases. Numerical results also showed that ultrafine particle-deposition efficiency (DE) in different lobes is different for various physical activities. Moreover, the numerical results showed hot spots in various locations among the different lobes for different flow rates, which could be helpful for targeted therapeutical aerosol transport to terminal bronchioles and the alveolar region.
Publisher: Elsevier BV
Date: 02-2022
DOI: 10.1016/J.JCIS.2021.10.148
Abstract: High-risk arsenic contamination found in aqueous system is reported across the world and causing severe environmental issues. In this study, the Mg-Al Layered Double Hydroxide (LDH) modified by sulphur species (LDH-S) was found exhibiting high effectivity and selectivity in As(V) removal owing to the strong interaction between embedded HS
Publisher: Elsevier BV
Date: 2018
Publisher: Elsevier BV
Date: 2020
DOI: 10.1016/J.JHAZMAT.2019.121111
Abstract: Hydrotalcite materials are generally utilized for anionic pollutants due to its interlayered anion exchange ability. Their potentiality for cationic contaminants is rarely explored. In this study, disulfide (S
Publisher: Wiley
Date: 08-07-2020
Publisher: Emerald
Date: 08-2016
Abstract: – The purpose of this paper is to numerically investigate two dimensional steady state convective heat transfer in a differentially heated square cavity with constant temperatures and an inner rotating cylinder. The gap between the cylinder and the enclosure walls is filled with power law non-Newtonian fluid. – Finite volume-based CFD software, Fluent (Ansys 15.0) is used to solve the governing equations. Attribution of the various flow parameters of fluid flow and heat transfer are investigated including Rayleigh number, Prandtl number, power law index, the cylinder radius and the angular rotational speed. – Outcomes are reported in terms of isotherms, streamlines and average Nusselt number (Nu) of the heated wall for various considered here. – A detailed investigates is needed in the context of 3D flow. This will be a part of the future work. – The effect of a rotating cylinder on heat transfer and fluid flow in a differentially heated rectangular enclosure filled with power law non-Newtonian fluid has practical importance in the process industry. – The results of this study may be of some interest to the researchers of the field of chemical or process engineers.
Publisher: Elsevier BV
Date: 08-2018
Publisher: Elsevier BV
Date: 10-2023
Publisher: Elsevier BV
Date: 10-2019
DOI: 10.1016/J.BONE.2019.06.027
Abstract: Mineralization of bone is a dynamic process, involving a complex interplay between cells, secreted macromolecules, signaling pathways, and enzymatic reactions the dysregulation of bone mineralization may lead to serious skeletal disorders, including hypophosphatemic rickets, osteoporosis, and rheumatoid arthritis. Very few studies have reported the role of osteocytes - the most abundant bone cells in the skeletal system and the major orchestrators of bone remodeling in bone mineralization, which is owed to their nature of being deeply embedded in the mineralized bone matrix. The Wnt/β-catenin signaling pathway is actively involved in various life processes including osteogenesis however, the role of Wnt/β-catenin signaling in the terminal mineralization of bone, especially in the regulation of osteocytes, is largely unknown. This research demonstrates that during the terminal mineralization process, the Wnt/β-catenin pathway is downregulated, and when Wnt/β-catenin signaling is activated in osteocytes, dendrite development is suppressed and the expression of dentin matrix protein 1 (DMP1) is inhibited. Aberrant activation of Wnt/β-catenin signaling in osteocytes leads to the spontaneous deposition of extra-large mineralized nodules on the surface of collagen fibrils. The altered mineral crystal structure and decreased bonding force between minerals and the organic matrix indicate the inferior integration of minerals and collagen. In conclusion, Wnt/β-catenin signaling plays a critical role in the terminal differentiation of osteocytes and as such, targeting Wnt/β-catenin signaling in osteocytes may serve as a potential therapeutic approach for the management of bone-related diseases.
Publisher: Elsevier BV
Date: 2019
Publisher: Springer Netherlands
Date: 2006
Publisher: Royal Society of Chemistry (RSC)
Date: 2022
DOI: 10.1039/D2NR03084E
Abstract: The mechanical performance of degraded polycaprolactone is closely related to the nonaffine displacement of the polymer chains.
Publisher: Elsevier BV
Date: 10-2014
DOI: 10.1016/J.AAP.2014.05.010
Abstract: Portable water-filled barriers (PWFBs) are roadside appurtenances that prevent vehicles from penetrating into temporary construction zones on roadways. PWFBs are required to satisfy the strict regulations for vehicle re-direction in tests. However, many of the current PWFBs fail to re-direct the vehicle at high speeds due to the inability of the joints to provide appropriate stiffness. The joint mechanism hence plays a crucial role in the performance of a PWFB system at high speed impacts. This paper investigates the desired features of the joint mechanism in a PWFB system that can re-direct vehicles at high speeds, while limiting the lateral displacement to acceptable limits. A rectangular "wall" representative of a 30m long barrier system was modeled and a novel method of joining adjacent road barriers was introduced through appropriate pin-joint connections. The impact response of the barrier "wall" and the vehicle was obtained and the results show that a rotational stiffness of 3000kNm/rad at the joints seems to provide the desired features of the PWFB system to re-direct impacting vehicles and restrict the lateral deflection. These research findings will be useful to safety engineers and road barrier designers in developing a new generation of PWFBs for increased road safety.
Publisher: IOP Publishing
Date: 26-10-2012
Publisher: IEEE
Date: 06-2011
Publisher: Springer Science and Business Media LLC
Date: 04-2022
DOI: 10.1007/S40820-022-00832-6
Abstract: Oxygen vacancies ( V o ) in electrocatalysts are closely correlated with the hydrogen evolution reaction (HER) activity. The role of vacancy defects and the effect of their concentration, however, yet remains unclear. Herein, Bi 2 O 3 , an unfavorable electrocatalyst for the HER due to a less than ideal hydrogen adsorption Gibbs free energy (Δ G H* ), is utilized as a perfect model to explore the function of V o on HER performance. Through a facile plasma irradiation strategy, Bi 2 O 3 nanosheets with different V o concentrations are fabricated to evaluate the influence of defects on the HER process. Unexpectedly, while the generated oxygen vacancies contribute to the enhanced HER performance, higher V o concentrations beyond a saturation value result in a significant drop in HER activity. By tunning the V o concentration in the Bi 2 O 3 nanosheets via adjusting the treatment time, the Bi 2 O 3 catalyst with an optimized oxygen vacancy concentration and detectable charge carrier concentration of 1.52 × 10 24 cm −3 demonstrates enhanced HER performance with an overpotential of 174.2 mV to reach 10 mA cm −2 , a Tafel slope of 80 mV dec −1 , and an exchange current density of 316 mA cm −2 in an alkaline solution, which approaches the top-tier activity among Bi-based HER electrocatalysts. Density-functional theory calculations confirm the preferred adsorption of H* onto Bi 2 O 3 as a function of oxygen chemical potential (∆ μ O ) and oxygen partial potential ( P O2 ) and reveal that high V o concentrations result in excessive stability of adsorbed hydrogen and hence the inferior HER activity. This study reveals the oxygen vacancy concentration-HER catalytic activity relationship and provides insights into activating catalytically inert materials into highly efficient electrocatalysts.
Publisher: Wiley
Date: 08-09-2020
Publisher: American Chemical Society (ACS)
Date: 15-10-2021
Publisher: Inderscience Publishers
Date: 2006
Publisher: World Scientific Pub Co Pte Lt
Date: 08-2015
DOI: 10.1142/S0219876215400034
Abstract: It is generally assumed that influence of the red blood cells (RBCs) is predominant in blood rheology. The healthy RBCs are highly deformable and can thus easily squeeze through the smallest capillaries having internal diameter less than their characteristic size. On the other hand, RBCs infected by malaria or other diseases are stiffer and so less deformable. Thus it is harder for them to flow through the smallest capillaries. Therefore, it is very important to critically and realistically investigate the mechanical behavior of both healthy and infected RBCs which is a current gap in knowledge. The motion and the steady state deformed shape of the RBCs depend on many factors, such as the geometrical parameters of the capillary through which blood flows, the membrane bending stiffness and the mean velocity of the blood flow. In this study, motion and deformation of a single two-dimensional RBC in a stenosed capillary is explored by using smoothed particle hydrodynamics (SPH) method. An elastic spring network is used to model the RBC membrane, while the RBC's inside fluid and outside fluid are treated as SPH particles. The effect of RBC's membrane stiffness (k b ), inlet pressure (P) and geometrical parameters of the capillary on the motion and deformation of the RBC is studied. The deformation index, RBC's mean velocity and the cell membrane energy are analyzed when the cell passes through the stenosed capillary. The simulation results demonstrate that the k b , P and the geometrical parameters of the capillary have a significant impact on the RBCs' motion and deformation in the stenosed section.
Publisher: Elsevier BV
Date: 08-2014
Publisher: World Scientific Pub Co Pte Lt
Date: 20-11-2011
DOI: 10.1142/S0219876211002824
Abstract: Corrosion is a common phenomenon and critical aspects of steel structural application. It affects the daily design, inspection, and maintenance in structural engineering, especially for the heavy and complex industrial applications, where the steel structures are subjected to hash corrosive environments in combination of high working stress condition and often in open field and/or under high temperature production environments. In the paper, it presents the actual engineering application of advanced finite element methods in the predication of the structural integrity and robustness at a designed service life for the furnaces of alumina production, which was operated in the high temperature, corrosive environments, and rotating with high working stress condition.
Publisher: Royal Society of Chemistry (RSC)
Date: 2012
DOI: 10.1039/C2NR31545A
Abstract: The elastic properties of 1D nanostructures such as nanowires are often measured experimentally through actuation of nanowires at their resonance frequency, and then relating the resonance frequency to the elastic stiffness using the elementary beam theory. In the present work, we utilize large scale molecular dynamics simulations to report a novel beat phenomenon in [110] oriented Ag nanowires. The beat phenomenon is found to arise from the asymmetry of the lattice spacing in the orthogonal elementary directions of [110] nanowires, i.e. the [110] and [001] directions, which results in two different principal moments of inertia. Because of this, actuations imposed along any other direction are found to decompose into two orthogonal vibrational components based on the actuation angle relative to these two elementary directions, with this phenomenon being generalizable to FCC nanowires of different materials (Cu, Au, Ni, Pd and Pt). The beat phenomenon is explained using a discrete moment of inertia model based on the hard sphere assumption the model is utilized to show that surface effects enhance the beat phenomenon, while effects are reduced with increasing nanowire cross-sectional size or aspect ratio. Most importantly, due to the existence of the beat phenomena, we demonstrate that in resonance experiments only a single frequency component is expected to be observed, particularly when the d ing ratio is relatively large or very small. Furthermore, for a large range of actuation angles, the lower frequency is more likely to be detected than the higher one, which implies that experimental predictions of the Young's modulus obtained from resonance may in fact be under-predictions. The present study therefore has significant implications for experimental interpretations of the Young's modulus as obtained via resonance testing.
Publisher: Elsevier BV
Date: 11-2015
DOI: 10.1016/J.ACTBIO.2015.09.007
Abstract: Highly efficient loading of bone morphogenetic protein-2 (BMP-2) onto carriers with desirable performance is still a major challenge in the field of bone regeneration. Till now, the nanoscaled surface-induced changes of the structure and bioactivity of BMP-2 remains poorly understood. Here, the effect of nanoscaled surface on the adsorption and bioactivity of BMP-2 was investigated with a series of hydroxyapatite surfaces (HAPs): HAP crystal-coated surface (HAP), HAP crystal-coated polished surface (HAP-Pol), and sintered HAP crystal-coated surface (HAP-Sin). The adsorption dynamics of recombinant human BMP-2 (rhBMP-2) and the accessibility of the binding epitopes of adsorbed rhBMP-2 for BMP receptors (BMPRs) were examined by a quartz crystal microbalance with dissipation. Moreover, the bioactivity of adsorbed rhBMP-2 and the BMP-induced Smad signaling were investigated with C2C12 model cells. A noticeably high mass-uptake of rhBMP-2 and enhanced recognition of BMPR-IA to adsorbed rhBMP-2 were found on the HAP-Pol surface. For the rhBMP-2-adsorbed HAPs, both ALP activity and Smad signaling increased in the order of HAP-Sin<HAP<HAP-Pol. Furthermore, hybrid molecular dynamics and steered molecular dynamics simulations validated that BMP-2 tightly anchored on the HAP-Pol surface with a relative loosened conformation, but the HAP-Sin surface induced a compact conformation of BMP-2. In conclusion, the nanostructured HAPs can modulate the way of adsorption of rhBMP-2, and thus the recognition of BMPR-IA and the bioactivity of rhBMP-2. These findings can provide insightful suggestions for the future design and fabrication of rhBMP-2-based scaffolds/implants. This study provides strong evidences that nanoscaled HAPs yield extraordinary influence on the adsorption behaviors and bioactivity of rhBMP-2. It has been found that the surface roughness and crystallinity played a crucial role in governing the way of rhBMP-2 binding to HAPs, and thus the conformation, recognition of BMPR-IA and bioactivity of adsorbed rhBMP-2. It is also for the first time to correlate numerical modeling and experimental results of the bioactivity of rhBMP-2 on nanostructured HAPs. This work can pave an avenue for the wider uses of rhBMP-2 in clinical applications and arouse broad interests among researchers in the fields of nano-biotechnology, biomaterials and bone tissue engineering.
Publisher: IEEE
Date: 30-11-2022
Publisher: Springer Science and Business Media LLC
Date: 13-07-2018
DOI: 10.1038/S41467-018-05218-0
Abstract: Homochirality is very important in the formation of advanced biological structures, but the origin and evolution mechanisms of homochiral biological structures in complex hierarchical process is not clear at the single-molecule level. Here we demonstrate the single-molecule investigation of biological homochirality in the hierarchical peptide assembly, regarding symmetry break, chirality lification, and chirality transmission. We find that homochirality can be triggered by the chirality unbalance of two adsorption configuration monomers. Co-assembly between these two adsorption configuration monomers is very critical for the formation of homochiral assemblies. The site-specific recognition is responsible for the subsequent homochirality lification and transmission in their hierarchical assembly. These single-molecule insights open up inspired thoughts for understanding biological homochirality and have general implications for designing and fabricating artificial biomimetic hierarchical chiral materials.
Publisher: Elsevier BV
Date: 2014
Publisher: Elsevier BV
Date: 05-2020
Publisher: Frontiers Media SA
Date: 20-11-2019
Publisher: World Scientific Pub Co Pte Lt
Date: 12-2013
DOI: 10.1142/S2047684113500164
Abstract: Australia is a high-potential country for geothermal power with reserves currently estimated in the tens of millions of petajoules, enough to power the nation for at least 1000 years at current usage. However, these resources are mainly located in isolated arid regions where water is scarce. Therefore, wet cooling systems for geothermal plants in Australia are the least attractive solution and thus air-cooled heat exchangers are preferred. In order to increase the efficiency of such heat exchangers, metal foams have been used. One issue raised by this solution is the fouling caused by dust deposition. In this case, the heat transfer characteristics of the metal foam heat exchanger can dramatically deteriorate. Exploring the particle deposition property in the metal foam exchanger becomes crucial. This paper is a numerical investigation aimed to address this issue. Two-dimensional (2D) numerical simulations of a standard one-row tube bundle wrapped with metal foam in cross-flow are performed and highlight preferential particle deposition areas.
Publisher: Informa UK Limited
Date: 15-01-2015
DOI: 10.1080/10255842.2014.996875
Abstract: The aim of this paper is to use a poroviscohyperelastic (PVHE) model, which is developed based on the porohyperelastic (PHE) model to explore the mechanical deformation properties of single chondrocytes. Both creep and relaxation responses are investigated by using finite element analysis models of micropipette aspiration and atomic force microscopy experiments, respectively. The newly developed PVHE model is compared thoroughly with the standard neo-Hookean solid and PHE models. It has been found that the PVHE can accurately capture both creep and stress relaxation behaviors of chondrocytes better than other two models. Hence, the PVHE is a promising model to investigate mechanical properties of single chondrocytes.
Publisher: American Chemical Society (ACS)
Date: 02-03-2017
Abstract: Construction of nanoarchitectures requires techniques like joint formation and trimming. For ceramic materials, however, it is extremely difficult to form nanojoints by conventional methods like merging. In this work, we demonstrate that ceramic titanate nanowires (NWs) can be joined by spot melting under electron beam (e-beam) irradiation (EBI). The irradiation fuses the contacted spot of titanate NWs yielding an intact nanojoint. Nanojoints with different morphologies can be produced. The joint structures consist of titanium dioxide (TiO
Publisher: Elsevier
Date: 2023
Publisher: IOP Publishing
Date: 04-2006
Publisher: Trans Tech Publications, Ltd.
Date: 06-2009
DOI: 10.4028/WWW.SCIENTIFIC.NET/AMR.76-78.392
Abstract: A deconvolution method that combines nanoindentation and finite element analysis was developed to determine elastic modulus of thin coating layer in a coating-substrate bilayer system. In this method, the nanoindentation experiments were conducted to obtain the modulus of both the bilayer system and the substrate. The finite element analysis was then applied to deconvolve the elastic modulus of the coating. The results demonstrated that the elastic modulus obtained using the developed method was in good agreement with that reported in literature.
Publisher: Springer Science and Business Media LLC
Date: 17-02-2018
DOI: 10.1007/S00109-018-1625-X
Abstract: Notch is actively involved in various life processes including osteogenesis however, the role of Notch signalling in the terminal mineralisation of bone is largely unknown. In this study, it was noted that Hey1, a downstream target of Notch signalling was highly expressed in mature osteocytes compared to osteoblasts, indicating a potential role of Notch in osteocytes. Using a recently developed thermosensitive cell line (IDG-SW3), we demonstrated that dentin matrix acidic phosphoprotein 1 (DMP1) expression was inhibited and mineralisation process was significantly altered when Notch pathway was inactivated via administration of N-[N-(3,5-Difluorophenacetyl)-L-alanyl]-S-phenylglycine t-butyl ester (DAPT), an inhibitor of Notch. Dysregulation of Notch in osteocyte differentiation can result in spontaneous deposition of calcium phosphate on collagen fibrils, disturbed transportation of intracellular mineral vesicles, alteration of mineral crystal structure, decreased bonding force between minerals and organic matrix, and suppression of dendrite development coupled with decreased expression of E11. In conclusion, the evidence presented here suggests that Notch plays a critical role in osteocyte differentiation and biomineralisation process. Notch plays a regulatory role in osteocyte phenotype. Notch modulates the mineralisation mediated by osteocytes. Notch activity influences the ultrastructural properties of bone mineralisation.
Publisher: AIP Publishing
Date: 03-2023
DOI: 10.1063/5.0140068
Abstract: Viscous fingering is a commonly observed interfacial instability during fluid displacement, where a fingerlike shape is formed at the fluid interface when a more viscous fluid is displaced by a less viscous fluid. In this study, a hybrid numerical model based on the lattice Boltzmann method and finite difference method is developed for investigating the control of viscous fingering of leaky dielectric fluids confined in a channel using electrohydrodynamics. Extensive simulations are carried out for studying the effects of the strength and direction of the electric field as well as the fluid properties, including the permittivity ratio and conductivity ratio, on viscous fingering. It is shown that a horizontal electric field, i.e., when the direction of the electrical field is perpendicular to the direction of fluid motion, can either promote or suppress the viscous fingering, depending on the permittivity ratio and conductivity ratio. For a vertical electric field, the extent of promotion of viscous fingering first decreases and then increases with the increase in conductivity ratio at a constant permittivity ratio. Also, various interfacial morphologies, such as broad fingers and thin jets, are observed under different fluid properties. A phase diagram for both the horizontal and vertical electric field is established based on the simulations with different permittivity and conductivity ratios to characterize the interfacial morphologies. This study offers insight into the electrohydrodynamic effects on the viscous fingering of leaky dielectric fluids, which could facilitate the control of multiphase flow in various applications, such as enhanced oil recovery and coupled chromatographic systems for separation.
Publisher: Springer Science and Business Media LLC
Date: 07-06-2014
Publisher: Beilstein Institut
Date: 07-04-2014
DOI: 10.3762/BJNANO.5.49
Abstract: Recently, the capture and storage of CO 2 have attracted research interest as a strategy to reduce the global emissions of greenhouse gases. It is crucial to find suitable materials to achieve an efficient CO 2 capture. Here we report our study of CO 2 adsorption on boron-doped C 60 fullerene in the neutral state and in the 1 e − -charged state. We use first principle density functional calculations to simulate the CO 2 adsorption. The results show that CO 2 can form weak interactions with the BC 59 cage in its neutral state and the interactions can be enhanced significantly by introducing an extra electron to the system.
Publisher: World Scientific Pub Co Pte Ltd
Date: 20-11-2011
DOI: 10.1142/S0219876211002836
Abstract: This paper formulates a node-based smoothed conforming point interpolation method (NS-CPIM) for solid mechanics. In the proposed NS-CPIM, the higher-order CPIM shape functions have been constructed to produce a continuous and piecewise quadratic displacement field over the whole problem domain, whereby the smoothed strain field was obtained through smoothing operation over each smoothing domain associated with domain nodes. The smoothed Galerkin weak form was then developed to create the discretized system equations. Numerical studies have demonstrated the following good properties: NS-CPIM (1) can pass both standard and quadratic patch tests (2) provides an upper bound of strain energy (3) avoids the volumetric locking and (4) provides the higher accuracy than those in the node-based smoothed schemes of the original PIMs.
Publisher: American Chemical Society (ACS)
Date: 13-04-2020
Publisher: Trans Tech Publications, Ltd.
Date: 10-2014
DOI: 10.4028/WWW.SCIENTIFIC.NET/AMR.834-836.1592
Abstract: Currently, finite element analyses are usually done by means of commercial software tools. Accuracy of analysis and computational time are two important factors in efficiency of these tools. This paper studies the effective parameters in computational time and accuracy of finite element analyses performed by ANSYS and provides the guidelines for the users of this software whenever they us this software for study on deformation of orthopedic bone plates or study on similar cases. It is not a fundamental scientific study and only shares the findings of the authors about structural analysis by means of ANSYS workbench. It gives an idea to the readers about improving the performance of the software and avoiding the traps. The solutions provided in this paper are not the only possible solutions of the problems and in similar cases there are other solutions which are not given in this paper. The parameters of solution method, material model, geometric model, mesh configuration, number of the analysis steps, program controlled parameters and computer settings are discussed through thoroughly in this paper.
Publisher: American Chemical Society (ACS)
Date: 11-04-2016
DOI: 10.1021/ACS.NANOLETT.5B05292
Abstract: Recently, partially ionic boron (γ-B28) has been predicted and observed in pure boron, in bulk phase and controlled by pressure [ Nature 2009 , 457 , 863 ]. By using ab initio evolutionary structure search, we report the prediction of ionic boron at a reduced dimension and ambient pressure, namely, the two-dimensional (2D) ionic boron. This 2D boron structure consists of graphene-like plane and B2 atom pairs with the P6/mmm space group and six atoms in the unit cell and has lower energy than the previously reported α-sheet structure and its analogues. Its dynamical and thermal stability are confirmed by the phonon-spectrum and ab initio molecular dynamics simulation. In addition, this phase exhibits double Dirac cones with massless Dirac Fermions due to the significant charge transfer between the graphene-like plane and B2 pair that enhances the energetic stability of the P6/mmm boron. A Fermi velocity (vf) as high as 2.3 × 10(6) m/s, which is even higher than that of graphene (0.82 × 10(6) m/s), is predicted for the P6/mmm boron. The present work is the first report of the 2D ionic boron at atmospheric pressure. The unique electronic structure renders the 2D ionic boron a promising 2D material for applications in nanoelectronics.
Publisher: American Physical Society (APS)
Date: 28-06-2019
Publisher: AIP Publishing
Date: 15-06-2012
DOI: 10.1063/1.4729485
Abstract: Based on the molecular dynamics (MD) simulation and the classical Euler-Bernoulli beam theory, a fundamental study of the vibrational performance of the Ag nanowire (NW) is carried out. A comprehensive analysis of the quality (Q)-factor, natural frequency, beat vibration, as well as high vibration mode is presented. Two excitation approaches, i.e., velocity excitation and displacement excitation, have been successfully implemented to achieve the vibration of NWs. Upon these two kinds of excitations, consistent results are obtained, i.e., the increase of the initial excitation litude will lead to a decrease to the Q-factor, and moderate plastic deformation could increase the first natural frequency. Meanwhile, the beat vibration driven by a single relatively large excitation or two uniform excitations in both two lateral directions is observed. It is concluded that the nonlinear changing trend of external energy magnitude does not necessarily mean a non-constant Q-factor. In particular, the first order natural frequency of the Ag NW is observed to decrease with the increase of temperature. Furthermore, comparing with the predictions by Euler-Bernoulli beam theory, the MD simulation provides a larger and smaller first vibration frequencies for the cl ed-cl ed and cl ed-free thin Ag NWs, respectively. Additionally, for thin NWs, the first order natural frequency exhibits a parabolic relationship with the excitation magnitudes. The frequencies of the higher vibration modes tend to be low in comparison to Euler-Bernoulli beam theory predictions. A combined initial excitation is proposed which is capable to drive the NW under a multi-mode vibration and arrows the coexistence of all the following low vibration modes. This work sheds lights on the better understanding of the mechanical properties of NWs and benefits the increasing utilities of NWs in erse nano-electronic devices.
Publisher: Elsevier BV
Date: 06-2017
Publisher: Elsevier BV
Date: 2014
DOI: 10.1063/2.1405106
Publisher: Elsevier BV
Date: 09-2015
DOI: 10.1016/J.JMBBM.2015.05.003
Abstract: Besides the elastic stiffness, the relaxation behavior of single living cells is also of interest of various researchers when studying cell mechanics. It is hypothesized that the relaxation response of the cells is governed by both intrinsic viscoelasticity of the solid phase and fluid-solid interactions mechanisms. There are a number of mechanical models have been developed to investigate the relaxation behavior of single cells. However, there is lack of model enable to accurately capture both of the mechanisms. Therefore, in this study, the porohyperelastic (PHE) model, which is an extension of the consolidation theory, combined with inverse Finite Element Analysis (FEA) technique was used at the first time to investigate the relaxation response of living chondrocytes. This model was also utilized to study the dependence of relaxation behavior of the cells on strain-rates. The stress-relaxation experiments under the various strain-rates were conducted with the Atomic Force Microscopy (AFM). The results have demonstrated that the PHE model could effectively capture the stress-relaxation behavior of the living chondrocytes, especially at intermediate to high strain-rates. Although this model gave some errors at lower strain-rates, its performance was acceptable. Therefore, the PHE model is properly a promising model for single cell mechanics studies. Moreover, it has been found that the hydraulic permeability of living chondrocytes reduced with decreasing of strain-rates. It might be due to the intracellular fluid volume fraction and the fluid pore pressure gradients of chondrocytes were higher when higher strain-rates applied.
Publisher: Royal Society of Chemistry (RSC)
Date: 2018
DOI: 10.1039/C7NR07449B
Abstract: Mechanical resonance of GaAs nanowires allows for measurement of the effect of stacking faults on Young's modulus and quality factor.
Publisher: Elsevier BV
Date: 09-2023
Publisher: Elsevier BV
Date: 11-2015
Publisher: SAGE Publications
Date: 2013
DOI: 10.1260/1369-4332.16.1.127
Abstract: Wheel-rail interaction is one of the most important research topics in railway engineering. It includes track vibration, track impact response and safety of the track. Track structure failures caused by impact forces can lead to significant economic loss for track owners through damage to rails and to the sleepers beneath. The wheel-rail impact forces occur because of imperfections on the wheels or rails such as wheel flats, irregular wheel profile, rail corrugation and differences in the height of rails connected at a welded joint. The vehicle speed and static wheel load are important factors of the track design, because they are related to the impact forces under wheel-rail defects. In this paper, a 3-Dimensional finite element model for the study of wheel flat impact is developed by use of the FEA software package ANSYS. The effects of the wheel flat to impact force on sleepers with various speeds and static wheel loads under a critical wheel flat size are investigated. It has found that both wheel-rail impact force and impact force on sleeper induced by wheel flat are varying nonlinearly by increasing the vehicle speed both impact forces are nonlinearly and monotonically increasing by increasing the static wheel load. The relationships between both of impact forces induced by wheel flat and vehicles speed or static load are important to the track engineers to improve the design and maintenance methods in railway industry.
Publisher: ASME International
Date: 06-08-2014
DOI: 10.1115/1.4028098
Abstract: The aim of this paper is to determine the strain-rate-dependent mechanical behavior of living and fixed osteocytes and chondrocytes, in vitro. First, atomic force microscopy (AFM) was used to obtain the force–indentation curves of these single cells at four different strain-rates. These results were then employed in inverse finite element analysis (FEA) using modified standard neo-Hookean solid (MSnHS) idealization of these cells to determine their mechanical properties. In addition, a FEA model with a newly developed spring element was employed to accurately simulate AFM evaluation in this study. We report that both cytoskeleton (CSK) and intracellular fluid govern the strain-rate-dependent mechanical property of living cells whereas intracellular fluid plays a predominant role on fixed cells' behavior. In addition, through the comparisons, it can be concluded that osteocytes are stiffer than chondrocytes at all strain-rates tested indicating that the cells could be the biomarker of their tissue origin. Finally, we report that MSnHS is able to capture the strain-rate-dependent mechanical behavior of osteocyte and chondrocyte for both living and fixed cells. Therefore, we concluded that the MSnHS is a good model for exploration of mechanical deformation responses of single osteocytes and chondrocytes. This study could open a new avenue for analysis of mechanical behavior of osteocytes and chondrocytes as well as other similar types of cells.
Publisher: The University of Queensland
Date: 11-12-2020
DOI: 10.14264/1374F47
Publisher: Royal Society of Chemistry (RSC)
Date: 2018
DOI: 10.1039/C8NR04882G
Abstract: 2D material based nanosprings break down Hooke's law at the nanoscale.
Publisher: Springer Science and Business Media LLC
Date: 04-08-2022
DOI: 10.1038/S41598-022-17120-3
Abstract: Metal hydrides (MH) are known as one of the most suitable material groups for hydrogen energy storage because of their large hydrogen storage capacity, low operating pressure, and high safety. However, their slow hydrogen absorption kinetics significantly decreases storage performance. Faster heat removal from MH storage can play an essential role to enhance its hydrogen absorption rate, resulting in better storage performance. In this regard, the present study aims to improve heat transfer performance to positively impact the hydrogen absorption rate of MH storage systems. A novel semi-cylindrical coil is first designed and optimized for hydrogen storage and embedded as an internal heat exchanger with air as the heat transfer fluid (HTF). The effect of novel heat exchanger configurations is analyzed and compared with normal helical coil geometry, based on various pitch sizes. Furthermore, the operating parameters of MH storage and HTF are numerically investigated to obtain optimal values. ANSYS Fluent 2020 R2 is utilized for the numerical simulations. Results from this study demonstrate that MH storage performance is significantly improved by using a semi-cylindrical coil heat exchanger (SCHE). The hydrogen absorption duration reduces by 59% compared to a normal helical coil heat exchanger. The lowest coil pitch from SCHE leads to a 61% reduction of the absorption time. In terms of operating parameters for the MH storage with SCHE, all selected parameters provide a major improvement in the hydrogen absorption process, especially the inlet temperature of the HTF.
Publisher: Royal Society of Chemistry (RSC)
Date: 2019
DOI: 10.1039/C8CP05191G
Abstract: Collagen unfolding on gold nanoparticles, demonstrating the health risk of bare gold nanoparticles.
Publisher: Wiley
Date: 10-05-2011
DOI: 10.1002/NME.3223
Publisher: Springer Science and Business Media LLC
Date: 04-02-2011
Publisher: AIP Publishing
Date: 05-05-2014
DOI: 10.1063/1.4876056
Abstract: Based on the characterization by Atomic Force Microscopy, we report that the mechanical property of single chondrocytes has dependency on the strain-rates. By comparing the mechanical deformation responses and the Young's moduli of living and fixed chondrocytes at four different strain-rates, we explore the deformation mechanisms underlying this dependency property. We found that the strain-rate-dependent mechanical property of living cells is governed by both of the cellular cytoskeleton and the intracellular fluid when the fixed chondrocytes are mainly governed by their intracellular fluid, which is called the consolidation-dependent deformation behavior. Finally, we report that the porohyperelastic constitutive material model which can capture the consolidation-dependent behavior of both living and fixed chondrocytes is a potential candidature to study living cell biomechanics.
Publisher: Elsevier BV
Date: 03-2008
Publisher: Royal Society of Chemistry (RSC)
Date: 2019
DOI: 10.1039/C9RA01212E
Abstract: The mechanical properties of the CNT/PEEK composite can be modulated by the functionalization of CNT reinforcements.
Publisher: Royal Society of Chemistry (RSC)
Date: 2020
DOI: 10.1039/D0TA00854K
Abstract: Reversible gas capture and release controlled by ferroelectric switching.
Publisher: Springer Science and Business Media LLC
Date: 17-12-2014
Publisher: Royal Society of Chemistry (RSC)
Date: 2018
DOI: 10.1039/C8CP04850A
Abstract: As a material generating increasing interest, boron nanosheets have been reviewed from the perspective of their synthesis, properties, application and possible research directions.
Publisher: WORLD SCIENTIFIC
Date: 04-2009
Publisher: World Scientific Pub Co Pte Lt
Date: 30-12-2008
DOI: 10.1142/S0217979208051169
Abstract: A pseudo-elastic local meshless formulation is developed in this paper for elasto-plastic analysis of solids. The moving least square (MLS) is used to construct the meshless shape functions, and the weighted local weak-form is employed to derive the system of equations. Hencky's total deformation theory is applied to define the effective Young's modulus and Poisson's ratio in the nonlinear analysis, which are obtained in an iterative manner using the strain controlled projection method. Numerical studies are presented for the elasto-plastic analysis of solids by the newly developed meshless formulation. It has demonstrated that the present pseudo-elastic local meshless approach is very effective for the elasto-plastic analysis of solids.
Publisher: American Chemical Society (ACS)
Date: 08-03-2021
Publisher: Elsevier BV
Date: 04-2015
Publisher: Springer Science and Business Media LLC
Date: 03-03-2015
Publisher: Global Science and Technology Forum
Date: 06-2012
Publisher: Royal Society of Chemistry (RSC)
Date: 2020
DOI: 10.1039/D0NA00284D
Abstract: Three-point bending tests of a pristine rutile TiO 2 NW.
Publisher: Elsevier BV
Date: 12-2023
Publisher: American Chemical Society (ACS)
Date: 03-01-2023
Publisher: Elsevier BV
Date: 12-2018
Publisher: Springer Science and Business Media LLC
Date: 14-04-2016
DOI: 10.1038/SREP24323
Abstract: Biomaterial surface functionalized with bone morphogenetic protein-2 (BMP-2) is a promising approach to fabricating successful orthopedic implants/scaffolds. However, the bioactivity of BMP-2 on material surfaces is still far from satisfactory and the mechanism of related protein-surface interaction remains elusive. Based on the most widely used bone-implants/scaffolds material, hydroxyapatite (HAP), we developed a matrix of magnesium-substituted HAP (Mg-HAP, 2.2 at% substitution) to address these issues. Further, we investigated the adsorption dynamics, BMPRs-recruitment, and bioactivity of recombinant human BMP-2 (rhBMP-2) on the HAP and Mg-HAP surfaces. To elucidate the mechanism, molecular dynamic simulations were performed to calculate the preferred orientations, conformation changes, and cysteine-knot stabilities of adsorbed BMP-2 molecules. The results showed that rhBMP-2 on the Mg-HAP surface exhibited greater bioactivity, evidenced by more facilitated BMPRs-recognition and higher ALP activity than on the HAP surface. Moreover, molecular simulations indicated that BMP-2 favoured distinct side-on orientations on the HAP and Mg-HAP surfaces. Intriguingly, BMP-2 on the Mg-HAP surface largely preserved the active protein structure evidenced by more stable cysteine-knots than on the HAP surface. These findings explicitly clarify the mechanism of BMP-2-HAP/Mg-HAP interactions and highlight the promising application of Mg-HAP/BMP-2 matrixes in bone regeneration implants/scaffolds.
Publisher: ASME International
Date: 06-06-2013
DOI: 10.1115/1.4023745
Abstract: Numerical investigation on mixed convection of a two-dimensional incompressible laminar flow over a horizontal flat plate with streamwise sinusoidal distribution of surface temperature has been performed for different values of Rayleigh number, Reynolds number and frequency of periodic temperature for constant Prandtl number and litude of periodic temperature. Finite element method adapted to rectangular nonuniform mesh elements by a nonlinear parametric solution algorithm basis numerical scheme has been employed. The investigating parameters are the Rayleigh number, the Reynolds number and frequency of periodic temperature. The effect of variation of in idual investigating parameters on mixed convection flow characteristics has been studied to observe the hydrodynamic and thermal behavior for while keeping the other parameters constant. The fluid considered in this study is air with Prandtl number 0.72. The results are obtained for the Rayleigh number range of 102 to 104, Reynolds number ranging from 1 to 100 and the frequency of periodic temperature from 1 to 5. Isotherms, streamlines, average and local Nusselt numbers are presented to show the effect of the different values of aforementioned investigating parameters on fluid flow and heat transfer.
Publisher: Elsevier BV
Date: 08-2019
DOI: 10.1016/J.BBAMEM.2019.06.001
Abstract: Inhaled nanoparticles (NPs) are experienced by the first biological barrier inside the alveolus known as lung surfactant (LS), a surface tension reducing agent, consisting of phospholipids and proteins in the form of the monolayer at the air-water interface. The monolayer surface tension is continuously regulated by the alveolus compression and expansion and protects the alveoli from collapsing. Inhaled NPs can reach deep into the lungs and interfere with the biophysical properties of the lung components. The interaction mechanisms of bare gold nanoparticles (AuNPs) with the LS monolayer and the consequences of the interactions on lung function are not well understood. Coarse-grained molecular dynamics simulations were carried out to elucidate the interactions of AuNPs with simplified LS monolayers at the nanoscale. It was observed that the interactions of AuNPs and LS components deform the monolayer structure, change the biophysical properties of LS and create pores in the monolayer, which all interfere with the normal lungs function. The results also indicate that AuNP concentrations >0.1 mol% (of AuNPs/lipids) hinder the lowering of the LS surface tension, a prerequisite of the normal breathing process. Overall, these findings could help to identify the possible consequences of airborne NPs inhalation and their contribution to the potential development of various lung diseases.
Publisher: Elsevier BV
Date: 2017
Publisher: The University of Queensland
Date: 11-12-2020
DOI: 10.14264/99DEC0A
Publisher: Springer Singapore
Date: 04-10-2018
Publisher: Elsevier BV
Date: 10-2018
Publisher: Trans Tech Publications, Ltd.
Date: 09-2011
DOI: 10.4028/WWW.SCIENTIFIC.NET/AMR.339.685
Abstract: Virtual methods to assess the fitting of a fracture fixation plate were proposed recently, however with limitations such as simplified fit criteria or manual data processing. This study aims to automate a fit analysis procedure using clinical-based criteria, and then to analyse the results further for borderline fit cases. Three dimensional (3D) models of 45 bones and of a precontoured distal tibial plate were utilized to assess the fitting of the plate automatically. A Matlab program was developed to automatically measure the shortest distance between the bone and the plate at three regions of interest and a plate-bone angle. The measured values including the fit assessment results were recorded in a spreadsheet as part of the batch-process routine. An automated fit analysis procedure will enable the processing of larger bone datasets in a significantly shorter time, which will provide more representative data of the target population for plate shape design and validation. As a result, better fitting plates can be manufactured and made available to surgeons, thereby reducing the risk and cost associated with complications or corrective procedures. This in turn, is expected to translate into improving patients' quality of life.
Publisher: Springer Science and Business Media LLC
Date: 11-2015
Publisher: IEEE
Date: 07-2013
Publisher: Elsevier BV
Date: 2017
Publisher: Elsevier BV
Date: 04-2012
Publisher: Wiley
Date: 19-02-2014
DOI: 10.1002/NME.4650
Publisher: Springer Science and Business Media LLC
Date: 14-12-2000
Publisher: Springer Science and Business Media LLC
Date: 10-07-2020
DOI: 10.1007/S10237-019-01191-9
Abstract: Plaque rupture is related to the mechanical stress it suffered. The value and distribution of the mechanical stress in plaque could help on assessing plaque vulnerability. To look into the stress conditions in the coronary artery, a patient-specific coronary model was created by using optical coherence tomography (OCT) and angiography imaging data. The reconstructed coronary model consisted of the structure of the lumen, the arterial wall and plaque components. Benefited by the high resolution of OCT, detailed structures such as the thin fibrous cap could be observed and built into the geometry. On this reconstructed coronary model, a fully coupled fluid-structure interaction (FSI) simulation was performed. The principle stress in coronary plaque and the wall shear stress (WSS) were analyzed. The FSI simulation results show that the cap thickness had a significant effect on the stress, and the principle stress at the thin cap area was more than double of those at the locations with a larger thickness. WSS is thought as an important parameter to assess the potentially dangerous areas of the atherosclerosis-prone (caused by low WSS) and the plaque rupture (high WSS). From the WSS plots of our FSI model, the area with abnormal WSS value was detected around the position where a lipid core existed. The FSI simulation results were compared with the results from the conventional structure-only and the computational fluid dynamics (CFD)-only computational models to quantify the difference between the three models. We found little difference in the principle stress results between the FSI and the structure-only model, but a significant difference between the FSI and the CFD-only model when looking into the WSS. The WSS values at the two observation spots from the CFD-only model were higher than the values from the FSI model by 17.95% and 22.66% in average, respectively. Furthermore, the FSI model detected more areas of low WSS, because the fluid domain could expand circumferentially when pressure loaded on the flexible arterial. This study suggests that OCT-based FSI model may be useful for plaque vulnerability assessment and it may be critical to perform the FSI simulation if an accurate WSS value is required.
Publisher: American Society of Mechanical Engineers
Date: 28-07-2014
Abstract: Optimisation of Organic Rankine Cycles (ORCs) for binary cycle applications could play a major role in determining the competitiveness of low to moderate renewable sources. An important aspect of the optimisation is to maximise the turbine output power for a given resource. This requires careful attention to the turbine design notably through numerical simulations. Challenges in the numerical modelling of radial-inflow turbines using high-density working fluids still need to be addressed in order to improve the turbine design and better optimise ORCs. This paper presents preliminary 3D numerical simulations of a radial-inflow turbine working with high-density fluids in realistic geothermal ORCs. Following extensive investigation of the operating conditions and thermodynamic cycle analysis, the refrigerant R143a is chosen as the high-density working fluid. The 1D design of the candidate radial-inflow turbine is presented in details. Furthermore, commercially-available software Ansys-CFX is used to perform preliminary steady-state 3D CFD simulations of the candidate R143a radial-inflow turbine at the nominal operating condition. The real-gas properties are obtained using the Peng-Robinson equations of state. The thermodynamic ORC cycle is presented. The preliminary design created using dedicated radial-inflow turbine software Concepts-Rital is discussed and the 3D CFD results are presented and compared against the meanline analysis.
Publisher: Elsevier BV
Date: 09-2023
Publisher: Informa UK Limited
Date: 15-05-2012
Publisher: Frontiers Media SA
Date: 11-02-2020
Publisher: Springer Science and Business Media LLC
Date: 13-09-2016
DOI: 10.1038/SREP33139
Abstract: The excellent mechanical properties of graphene have enabled it as appealing candidate in the field of impact protection or protective shield. By considering a monolayer graphene membrane, in this work, we assessed its deformation mechanisms under hypervelocity impact (from 2 to 6 km/s), based on a serial of in silico studies. It is found that the cracks are formed preferentially in the zigzag directions which are consistent with that observed from tensile deformation. Specifically, the boundary condition is found to exert an obvious influence on the stress distribution and transmission during the impact process, which eventually influences the penetration energy and crack growth. For similar s le size, the circular shape graphene possesses the best impact resistance, followed by hexagonal graphene membrane. Moreover, it is found the failure shape of graphene membrane has a strong relationship with the initial kinetic energy of the projectile. The higher kinetic energy, the more number the cracks. This study provides a fundamental understanding of the deformation mechanisms of monolayer graphene under impact, which is crucial in order to facilitate their emerging future applications for impact protection, such as protective shield from orbital debris for spacecraft.
Publisher: Springer Science and Business Media LLC
Date: 20-04-2020
DOI: 10.1038/S41467-020-15807-7
Abstract: The excellent mechanical properties of carbon nanofibers bring promise for energy-related applications. Through in silico studies and continuum elasticity theory, here we show that the ultra-thin carbon nanothreads-based bundles exhibit a high mechanical energy storage density. Specifically, the gravimetric energy density is found to decrease with the number of filaments, with torsion and tension as the two dominant contributors. Due to the coupled stresses, the nanothread bundle experiences fracture before reaching the elastic limit of any in idual deformation mode. Our results show that nanothread bundles have similar mechanical energy storage capacity compared to (10,10) carbon nanotube bundles, but possess their own advantages. For instance, the structure of the nanothread allows us to realize the full mechanical energy storage potential of its bundle structure through pure tension, with a gravimetric energy density of up to 1.76 MJ kg −1 , which makes them appealing alternative building blocks for energy storage devices.
Publisher: Elsevier BV
Date: 05-2017
Publisher: Elsevier BV
Date: 12-2014
Publisher: Royal Society of Chemistry (RSC)
Date: 2019
DOI: 10.1039/C8CP05408H
Abstract: Generally existing flexural mode doublets in silicon nanowires.
Publisher: Elsevier BV
Date: 11-2012
Publisher: Elsevier BV
Date: 05-2020
Publisher: Elsevier BV
Date: 03-2023
Publisher: Elsevier BV
Date: 02-2007
Publisher: Springer Science and Business Media LLC
Date: 17-03-2017
DOI: 10.1038/NCOMMS14863
Abstract: Carbon fibres have attracted interest from both the scientific and engineering communities due to their outstanding physical properties. Here we report that recently synthesized ultrathin diamond nanothread not only possesses excellent torsional deformation capability, but also excellent interfacial load-transfer efficiency. Compared with (10,10) carbon nanotube bundles, the flattening of nanotubes is not observed in diamond nanothread bundles, which leads to a high-torsional elastic limit that is almost three times higher. Pull-out tests reveal that the diamond nanothread bundle has an interface transfer load of more than twice that of the carbon nanotube bundle, corresponding to an order of magnitude higher in terms of the interfacial shear strength. Such high load-transfer efficiency is attributed to the strong mechanical interlocking effect at the interface. These intriguing features suggest that diamond nanothread could be an excellent candidate for constructing next-generation carbon fibres.
Publisher: Informa UK Limited
Date: 06-2004
Publisher: EJournal Publishing
Date: 2016
Publisher: World Scientific Pub Co Pte Lt
Date: 11-2014
DOI: 10.1142/S021987621344012X
Abstract: Industrial transformer is one of the most critical assets in the power and heavy industry. Failures of transformers can cause enormous losses. The poor joints of the electrical circuit on transformers can cause overheating and results in stress concentration on the structure which is the major cause of catastrophic failure. Few researches have been focused on the mechanical properties of industrial transformers under overheating thermal conditions. In this paper, both mechanical and thermal properties of industrial transformers are jointly investigated using finite element analysis (FEA). Dynamic response analysis is conducted on a modified transformer FEA model, and the computational results are compared with experimental results from literature to validate this simulation model. Based on the FEA model, thermal stress is calculated under different temperature conditions. These analysis results can provide insights to the understanding of the failure of transformers due to overheating, therefore are significant to assess winding fault, especially to the manufacturing and maintenance of large transformers.
Publisher: Elsevier BV
Date: 04-2012
Publisher: Springer Science and Business Media LLC
Date: 02-2016
DOI: 10.1007/S12013-016-0721-1
Abstract: It has been demonstrated that most cells of the body respond to osmotic pressure in a systematic manner. The disruption of the collagen network in the early stages of osteoarthritis causes an increase in water content of cartilage which leads to a reduction of pericellular osmolality in chondrocytes distributed within the extracellular environment. It is therefore arguable that an insight into the mechanical properties of chondrocytes under varying osmotic pressure would provide a better understanding of chondrocyte mechanotransduction and potentially contribute to knowledge on cartilage degeneration. In this present study, the chondrocyte cells were exposed to solutions with different osmolality. Changes in their dimensions and mechanical properties were measured over time. Atomic force microscopy (AFM) was used to apply load at various strain-rates and the force-time curves were logged. The thin-layer elastic model was used to extract the elastic stiffness of chondrocytes at different strain-rates and at different solution osmolality. In addition, the porohyperelastic (PHE) model was used to investigate the strain-rate-dependent responses under the loading and osmotic pressure conditions. The results revealed that the hypo-osmotic external environment increased chondrocyte dimensions and reduced Young's modulus of the cells at all strain-rates tested. In contrast, the hyper-osmotic external environment reduced dimensions and increased Young's modulus. Moreover, using the PHE model coupled with inverse FEA simulation, we established that the hydraulic permeability of chondrocytes increased with decreasing extracellular osmolality which is consistent with previous work in the literature. This could be due to a higher intracellular fluid volume fraction with lower osmolality.
Publisher: American Chemical Society (ACS)
Date: 26-07-2018
Publisher: Elsevier BV
Date: 09-2007
Publisher: Elsevier BV
Date: 02-2017
DOI: 10.1016/J.SCITOTENV.2016.11.025
Abstract: Biomass burning (BB) is a significant air pollution source, with global, regional and local impacts on air quality, public health and climate. Worldwide an extensive range of studies has been conducted on almost all the aspects of BB, including its specific types, on quantification of emissions and on assessing its various impacts. China is one of the countries where the significance of BB has been recognized, and a lot of research efforts devoted to investigate it, however, so far no systematic reviews were conducted to synthesize the information which has been emerging. Therefore the aim of this work was to comprehensively review most of the studies published on this topic in China, including literature concerning field measurements, laboratory studies and the impacts of BB indoors and outdoors in China. In addition, this review provides insights into the role of wildfire and anthropogenic BB on air quality and health globally. Further, we attempted to provide a basis for formulation of policies and regulations by policy makers in China.
Publisher: Inderscience Publishers
Date: 2011
Publisher: Royal Society of Chemistry (RSC)
Date: 2022
DOI: 10.1039/D2TA04464A
Abstract: In this work, the controllable hydrogen evolution reaction is achieved by ferroelectric switching. The finding provides a fundamental understanding of ferroelectric catalysis and a new strategy to design ferroelectric heterostructure catalysts.
Publisher: Springer Science and Business Media LLC
Date: 02-2014
Publisher: World Scientific Pub Co Pte Lt
Date: 12-2017
DOI: 10.1142/S1758825117501071
Abstract: This paper studies the mechanism of preconcentration of charged particles in a straight microchannel embedded with permselective membranes by numerically solving the coupled transport equations of ions, charged particles and solvent fluid without any simplifying assumptions. It is demonstrated that trapping and preconcentration of charged particles are determined by the interplay between drag force from the electroosmotic fluid flow and the electrophoretic force applied through the electric field. Several insightful characteristics are revealed, including the erse dynamics of co-ions and counter ions, replacement of co-ions by focused particles, lowered ion concentrations in particle-enriched zone, and enhanced electroosmotic pumping effect, etc. Conditions for particles that can be concentrated are identified in terms of charges, sizes and electrophoretic mobilities of particles and co-ions. Dependences of enrichment factor on cross-membrane voltage, initial particle concentration and buffer ion concentrations are analyzed and the underlying reasons are elaborated. Finally, post priori condition for the validity of decoupled simulation model is given based on the charges carried by focused particles and buffer co-ions. These results provide an important guidance in the design and optimization of nanofluidic preconcentration and other related devices.
Publisher: American Scientific Publishers
Date: 07-2014
Publisher: Elsevier BV
Date: 06-2023
Publisher: Royal Society of Chemistry (RSC)
Date: 2014
DOI: 10.1039/C4SM00526K
Abstract: SPH–DEM based microscale drying model can predict shrinkage and cell wall wrinkling of plant cells in tissues at different moisture contents and turgor pressures during drying (top row: full tissue view, bottom row: enlarged view).
Publisher: Informa UK Limited
Date: 2009
Publisher: Springer Science and Business Media LLC
Date: 02-12-2015
DOI: 10.1038/SREP17558
Abstract: Layered graphitic materials exhibit new intriguing electronic structure and the search for new types of two-dimensional (2D) monolayer is of importance for the fabrication of next generation miniature electronic and optoelectronic devices. By means of density functional theory (DFT) computations, we investigated in detail the structural, electronic, mechanical and optical properties of the single-layer bismuth iodide (BiI 3 ) nanosheet. Monolayer BiI 3 is dynamically stable as confirmed by the computed phonon spectrum. The cleavage energy (E cl ) and interlayer coupling strength of bulk BiI 3 are comparable to the experimental values of graphite, which indicates that the exfoliation of BiI 3 is highly feasible. The obtained stress-strain curve shows that the BiI 3 nanosheet is a brittle material with a breaking strain of 13%. The BiI 3 monolayer has an indirect band gap of 1.57 eV with spin orbit coupling (SOC), indicating its potential application for solar cells. Furthermore, the band gap of BiI 3 monolayer can be modulated by biaxial strain. Most interestingly, interfacing electrically active graphene with monolayer BiI 3 nanosheet leads to enhanced light absorption compared to that in pure monolayer BiI 3 nanosheet, highlighting its great potential applications in photonics and photovoltaic solar cells.
Publisher: American Physical Society (APS)
Date: 31-01-2019
Publisher: Trans Tech Publications, Ltd.
Date: 05-2014
DOI: 10.4028/WWW.SCIENTIFIC.NET/AMM.553.3
Abstract: Doping as one of the popular methods to manipulate the properties of nanomaterials has received extensive application in deriving different types of graphene derivates, while the understanding of the resonance properties of dopant graphene is still lacking in literature. Based on the large-scale molecular dynamics simulation, reactive empirical bond order potential, as well as the tersoff potential, the resonance properties of N-doped graphene were studied. The studied s les were established according to previous experiments with the N atom’s percentage ranging from 0.38%-2.93%, including three types of N dopant locations, i.e., graphitic N, pyrrolic N and pyridinic N. It is found that different percentages of N-dopant exert different influence to the resonance properties of the graphene, while the amount of N-dopant is not the only factor that determines its impact. For all the considered cases, a relative large percentage of N-dopant (2.65% graphitic N-dopant) is observed to introduce significant influence to the profile of the external energy, and thus lead to an extremely low Q-factor comparing with that of the pristine graphene. The most striking finding is that the natural frequency of the defective graphene with N-dopant’s percentage higher than 0.89% appears larger than its pristine counterpart. For the perfect graphene, the N-dopant shows larger influence to its natural frequency. This study will enrich the current understanding of the influence of dopants on graphene, which will eventually shed lights on the design of different molecules-doped graphene sheet.
Publisher: Springer Science and Business Media LLC
Date: 02-2014
Publisher: World Scientific Pub Co Pte Lt
Date: 03-2012
DOI: 10.1142/S0219876212400038
Abstract: Based on the molecular dynamics (MD) method, the single-crystalline copper nanowire with different surface defects is investigated through tension simulation. For comparison, the MD tension simulations of perfect nanowire are first carried out under different temperatures, strain rates, and sizes. It has concluded that the surface–volume ratio significantly affects the mechanical properties of nanowire. The surface defects on nanowires are then systematically studied in considering different defect orientation and distribution. It is found that the Young's modulus is the insensitive of surface defects. However, the yield strength and yield point show a significant decrease due to the different defects. Different defects are observed to serve as a dislocation source.
Publisher: Informa UK Limited
Date: 24-11-2015
Publisher: Springer Science and Business Media LLC
Date: 11-2002
Publisher: Springer International Publishing
Date: 2014
Publisher: Royal Society of Chemistry (RSC)
Date: 2020
DOI: 10.1039/D0NR03391J
Abstract: Insertion of Li can covert Fe 2 O 3 layer as a multiferroics due to the Jahn–Teller distortion and d orbital splitting, which is promising for advanced device applications.
Publisher: Royal Society of Chemistry (RSC)
Date: 2023
DOI: 10.1039/D2MH01217K
Abstract: In two-dimensional (2D) Fe-doped MFe-LDHs, volcano-shaped relationships between the catalytic activity descriptors and the Fe contents are identified, and a new activity descriptor, the intermediate adsorption capacitance (CPE ad ), is proposed.
Publisher: Elsevier BV
Date: 10-2010
Publisher: Wiley
Date: 12-05-2020
Publisher: AIP Publishing
Date: 11-2022
DOI: 10.1063/5.0123213
Abstract: The SARS-CoV-2 Omicron variant is more highly transmissible and causes a higher mortality rate compared to the other eleven variants despite the high vaccination rate. The Omicron variant also establishes a local infection at the extrathoracic airway level. For better health risk assessment of the infected patients, it is essential to understand the transport behavior and the toxicity of the Omicron variant droplet deposition in the extrathoracic airways, which is missing in the literature. Therefore, this study aims to develop a numerical model for the Omicron droplet transport to the extrathoracic airways and to analyze that transport behavior. The finite volume method and ANSYS Fluent 2020 R2 solver were used for the numerical simulation. The Lagrangian approach, the discrete phase model, and the species transport model were employed to simulate the Omicron droplet transport and deposition. Different breathing rates, the mouth and nose inhalation methods were employed to analyze the viral toxicity at the airway wall. The results from this study indicated that there was a 33% of pressure drop for a flow rate at 30 l/min, while there was only a 3.5% of pressure drop for a 7.5 l/min. The nose inhalation of SARS-CoV-2 Omicron droplets is significantly more harmful than through the mouth due to a high deposition rate at the extrathoracic airways and high toxicity in the nasal cavities. The findings of this study would potentially improve knowledge of the health risk assessment of Omicron-infected patients.
Publisher: MDPI AG
Date: 07-08-2023
Abstract: Medical image classification poses significant challenges in real-world scenarios. One major obstacle is the scarcity of labelled training data, which h ers the performance of image-classification algorithms and generalisation. Gathering sufficient labelled data is often difficult and time-consuming in the medical domain, but deep learning (DL) has shown remarkable performance, although it typically requires a large amount of labelled data to achieve optimal results. Transfer learning (TL) has played a pivotal role in reducing the time, cost, and need for a large number of labelled images. This paper presents a novel TL approach that aims to overcome the limitations and disadvantages of TL that are characteristic of an ImageNet dataset, which belongs to a different domain. Our proposed TL approach involves training DL models on numerous medical images that are similar to the target dataset. These models were then fine-tuned using a small set of annotated medical images to leverage the knowledge gained from the pre-training phase. We specifically focused on medical X-ray imaging scenarios that involve the humerus and wrist from the musculoskeletal radiographs (MURA) dataset. Both of these tasks face significant challenges regarding accurate classification. The models trained with the proposed TL were used to extract features and were subsequently fused to train several machine learning (ML) classifiers. We combined these erse features to represent various relevant characteristics in a comprehensive way. Through extensive evaluation, our proposed TL and feature-fusion approach using ML classifiers achieved remarkable results. For the classification of the humerus, we achieved an accuracy of 87.85%, an F1-score of 87.63%, and a Cohen’s Kappa coefficient of 75.69%. For wrist classification, our approach achieved an accuracy of 85.58%, an F1-score of 82.70%, and a Cohen’s Kappa coefficient of 70.46%. The results demonstrated that the models trained using our proposed TL approach outperformed those trained with ImageNet TL. We employed visualisation techniques to further validate these findings, including a gradient-based class activation heat map (Grad-CAM) and locally interpretable model-independent explanations (LIME). These visualisation tools provided additional evidence to support the superior accuracy of models trained with our proposed TL approach compared to those trained with ImageNet TL. Furthermore, our proposed TL approach exhibited greater robustness in various experiments compared to ImageNet TL. Importantly, the proposed TL approach and the feature-fusion technique are not limited to specific tasks. They can be applied to various medical image applications, thus extending their utility and potential impact. To demonstrate the concept of reusability, a computed tomography (CT) case was adopted. The results obtained from the proposed method showed improvements.
Publisher: Springer Science and Business Media LLC
Date: 27-08-2019
DOI: 10.1038/S41598-019-48753-6
Abstract: In clinical assessments, the correlation between atmospheric air pollution and respiratory damage is highly complicated. Epidemiological studies show that atmospheric air pollution is largely responsible for the global proliferation of pulmonary disease. This is particularly significant, since most Computational Fluid Dynamics (CFD) studies to date have used monodisperse particles, which may not accurately reflect realistic inhalation patterns, since atmospheric aerosols are mostly polydisperse. The aim of this study is to investigate the anatomy and turbulent effects on polydisperse particle transport and deposition (TD) in the upper airways. The Euler-Lagrange approach is used for polydisperse particle TD prediction in both laminar and turbulent conditions. Various anatomical models are adopted to investigate the polydisperse particle TD under different flow conditions. Rossin-Rammler diameter distribution is used for the distribution of the initial particle diameter. The numerical results illustrate that airflow rate distribution at the right lung of a realistic model is higher than a non-realistic model. The CFD study also shows that turbulence effects on deposition are higher for larger diameter particles than with particles of smaller diameter. A significant amount of polydisperse particles are also shown to be deposited at the tracheal wall for CT-based model, whereas particles are mostly deposited at the carinal angle for the non-realistic model. A comprehensive, polydisperse particle TD analysis would enhance understanding of the realistic deposition pattern and decrease unwanted therapeutic aerosol deposition at the extrathoracic airways.
Publisher: Elsevier BV
Date: 10-2011
Publisher: Springer Science and Business Media LLC
Date: 09-2003
Publisher: World Scientific Pub Co Pte Lt
Date: 12-2008
DOI: 10.1142/S0219876208001601
Abstract: In the modeling and simulation of microelectromechanical system (MEMS) devices, such as the microswitch, the large deformation or the geometrical nonlinearity should be considered. Due to the issue of mesh distortion, the finite element method (FEM) is not effective for this large deformation analysis. In this paper, a local meshfree formulation is developed for geometrically nonlinear analysis of MEMS devices. The moving least squares approximation (MLSA) is employed to construct the meshfree shape functions based on the arbitrarily distributed field nodes and the spline weight function. The discrete system of equations for two-dimensional MEMS analysis is obtained using the weighted local weak form, and based on the total Lagrangian (TL) approach, which refers all variables to the initial configuration. The Newton–Raphson iteration technique is used to get the final results. Several typical microswitches are simulated by the developed nonlinear local meshfree method. Some important parameters of these microswitches, e.g. the pull-in voltage, are studied. Compared with the experimental results and results obtained by linear analysis, nonlinear meshfree analysis of microswitches is accurate and efficient. It has demonstrated that the present nonlinear local meshfree formulation is very effective for geometrically nonlinear analysis of MEMS devices, because it totally avoids the issue of mesh distortion in the FEM.
Publisher: Elsevier BV
Date: 2014
Publisher: American Chemical Society (ACS)
Date: 26-09-2016
Abstract: By first-principle calculations, we have systematically studied the effect of strain ressure on the electronic structure of rutile lead/stannic dioxide (PbO
Publisher: International Association of Advanced Materials
Date: 05-2020
Publisher: American Scientific Publishers
Date: 07-2012
Publisher: Elsevier BV
Date: 08-2017
Publisher: AIP Publishing
Date: 06-2023
DOI: 10.1063/5.0150703
Abstract: Microplastics are tiny plastic debris in the environment from industrial processes, various consumer items, and the breakdown of industrial waste. Recently, microplastics have been found for the first time in the airways, which increases the concern about long-term exposure and corresponding impacts on respiratory health. To date, a precise understanding of the microplastic transport to the airways is missing in the literature. Therefore, this first-ever study aims to analyze the microplastic transport and deposition within the upper lung airways. A computational fluid dynamics-discrete phase model approach is used to analyze the fluid flow and microplastic transport in airways. The sphericity concept and shape factor values are used to define the non-spherical microplastics. An accurate mesh test is performed for the computational mesh. The numerical results report that the highly asymmetric and complex morphology of the upper airway influences the flow fields and microplastic motion along with the flow rate and microplastic shape. The nasal cavity, mouth-throat, and trachea have high pressure, while a high flow velocity is observed at the area after passing the trachea. The flow rates, shape, and size of microplastics influence the overall deposition pattern. A higher flow rate leads to a lower deposition efficiency for all microplastic shapes. The nasal cavity has a high deposition rate compared to other regions. The microplastic deposition hot spot is calculated for shape and size-specific microplastic at various flow conditions. The findings of this study and more case-specific analysis will improve the knowledge of microplastic transport in airways and benefit future therapeutics development. The future study will be focused on the effect of various microplastic shapes on the human lung airways under the healthy and diseased airways conditions.
Publisher: Wiley
Date: 22-02-2023
DOI: 10.1002/AGT2.323
Abstract: Abstract Gold nanoparticles (AuNPs) are promising materials for many bioapplications. However, upon contacting with biological media, AuNPs undergo changes. The interaction with proteins results in the so‐called protein corona (PC) around AuNPs, leading to the new bioidentity and optical properties. Understanding the mechanisms of PC formation and its functions can help us to utilise its benefits and avoid its drawbacks. To date, most of the previous works aimed to understand the mechanisms governing PC formation and focused on the spherical nanoparticles, although non‐spherical nanoparticles are designed for a wide range of applications in biosensing. In this work, we investigated the differences in PC formation on spherical and anisotropic AuNPs (nanostars in particular) from the joint experimental (extinction spectroscopy, zeta potential and surface‐enhanced Raman scattering [SERS]) and computational methods (the finite element method and molecular dynamics [MD] simulations). We discovered that protein does not fully cover the surface of anisotropic nanoparticles, leaving SERS hot‐spots at the tips and high curvature edges ‘available’ for analyte binding (no SERS signal after pre‐incubation with protein) while providing protein‐induced stabilization (indicated by extinction spectroscopy) of the AuNPs by providing a protein layer around the particle's core. The findings are confirmed from our MD simulations, the adsorption energy significantly decreases with the increased radius of curvature, so that tips (adsorption energy: 2762.334 kJ/mol) would be the least preferential binding site compared to core (adsorption energy: 11819.263 kJ/mol). These observations will help the development of new nanostructures with improved sensing and targeting ability.
Publisher: American Scientific Publishers
Date: 07-2014
Publisher: Springer Science and Business Media LLC
Date: 28-11-2016
DOI: 10.1038/SREP38059
Abstract: It is well-known that cell adhesion is important in many biological processes such as cell migration and proliferation. A better understanding of the cell adhesion process will shed insight into these cellular biological responses as well as cell adhesion-related diseases treatment. However, there is little research which has attempted to investigate the process of cell adhesion and its mechanism. Thus, this paper aims to study the time-dependent adhesion properties of single living chondrocytes using an advanced coupled experimental-numerical approach. Atomic Force Microscopy (AFM) tips will be used to apply lateral forces to detach chondrocytes that are seeded for three different periods. An advanced Finite Element Analysis (FEA) model combining porohyperelastic (PHE) constitutive model and cohesive zone formulation is developed to explore the mechanism of adhesion. The results revealed that the cells can resist normal traction better than tangential traction in the beginning of adhesion. This is when the cell adhesion molecules establish early attachment to the substrates. After that when the cells are spreading, stress fiber bundles generate tangential traction on the substrate to form strong adhesion. Both simulation and experimental results agree well with each other, providing a powerful tool to study the cellular adhesion process.
Publisher: Elsevier BV
Date: 04-2013
Publisher: Springer International Publishing
Date: 04-10-2017
Publisher: American Chemical Society (ACS)
Date: 13-03-2019
DOI: 10.1021/ACS.LANGMUIR.8B03680
Abstract: The molecular behavior of proteins in the presence of inorganic surfaces is of fundamental biological significance. Ex les include extracellular matrix proteins interacting with gold nanoparticles and metallic implant biomaterials, such as titanium and stainless steels. Uncharged inorganic surfaces that interact strongly with the solution phase (hydrophilic surfaces) have been commonly used in disease treatments. A deep understanding of the molecular behavior of body proteins in the presence of hydrophilic surfaces is important in terms of clinical applications. However, the adsorption mechanism of proteins onto hydrophilic surfaces remains not fully understood. Here, comprehensive molecular dynamics simulations are carried out to study the molecular response of a human collagen molecule segment (CMS) to the presence of a planar gold surface (AuNS) in explicit solvent, aiming to unravel the adsorption mechanism of proteins onto hydrophilic surfaces. The results demonstrate that in the presence of AuNS, the CMS first biasedly diffuses toward AuNS, followed by anchoring to the gold surface, and finally adsorbs stepwise onto AuNS, where the protein adjusts its structure to maximize the interaction with AuNS. We conclude that adsorption of proteins onto hydrophilic surfaces adheres to three steps, namely, biased diffusion, anchoring, and stepwise adsorption accompanied by structural adaptation. The obtained adsorption mechanism provides insights into the development of inorganic surfaces for biomedical and therapeutic applications.
Publisher: IOP Publishing
Date: 17-02-2003
Publisher: SPIE
Date: 26-12-2008
DOI: 10.1117/12.813893
Publisher: Elsevier BV
Date: 02-2015
Publisher: American Society of Agricultural and Biological Engineers (ASABE)
Date: 04-09-2013
Publisher: The University of Queensland
Date: 11-12-2020
DOI: 10.14264/4CE35F0
Publisher: Elsevier BV
Date: 03-2016
Publisher: American Physical Society (APS)
Date: 09-03-2020
Publisher: Elsevier BV
Date: 04-2017
Publisher: Springer Science and Business Media LLC
Date: 07-10-2008
Publisher: Elsevier BV
Date: 10-2014
Publisher: Elsevier BV
Date: 12-2023
Publisher: Wiley
Date: 05-02-2004
DOI: 10.1002/NME.925
Publisher: Global Science & Technology Forum (GSTF)
Date: 12-12-2011
Publisher: Elsevier BV
Date: 12-2012
Publisher: Wiley
Date: 09-06-2021
DOI: 10.1002/FLD.5015
Abstract: In this article, a novel multiscale modeling method is proposed for transient computational fluid dynamics (CFD) simulations of the human airways. The developed method is the first attempt to incorporate spatial coupling and temporal coupling into transient human airway simulations, aiming to improve the flexibility and the efficiency of these simulations. In this method, domain decomposition was used to separate the complex airway model into different scaled domains. Each scaled domain could adopt a suitable mesh and timestep, as necessary: the coarse mesh and large timestep were employed in the macro regions to reduce the computational cost, while the fine mesh and small timestep were used in micro regions to maintain the simulation accuracy. The radial point interpolation method was used to couple data between the coarse mesh and the fine mesh. The continuous micro solution–intermittent temporal coupling method was applied to bridge different timesteps. The developed method was benchmarked using a well‐studied four‐generation symmetric airway model under realistic normal breath conditions. The accuracy and efficiency of the method were verified separately in the inhalation phase and the exhalation phase. Similar airflow behavior to previous studies was observed from the multiscale airway model. The developed multiscale method has the potential to improve the flexibility and efficiency of transient human airway simulations without sacrificing accuracy.
Publisher: Royal Society of Chemistry (RSC)
Date: 2014
DOI: 10.1039/C4RA11753K
Abstract: We report on the mechanical properties of sodium titanate nanowires (Na 2 Ti 3 O 7 NW) through a combination of bending experiments and theoretical analysis.
Publisher: American Chemical Society (ACS)
Date: 18-11-2021
Publisher: Elsevier BV
Date: 11-2022
Publisher: Elsevier BV
Date: 09-2016
Publisher: Elsevier BV
Date: 05-2020
Publisher: CRC Press
Date: 18-09-2017
Publisher: AIP Publishing
Date: 05-12-2013
DOI: 10.1063/1.4839715
Abstract: Filopodial protrusion initiates cell migration, which decides the fate of cells in biological environments. In order to understand the structural stability of ultra-slender filopodial protrusion, we have developed an explicit modeling strategy that can study both static and dynamic characteristics of microfilament bundles. Our study reveals that the stability of filopodial protrusions is dependent on the density of F-actin crosslinkers. This cross-linkage strategy is a requirement for the optimization of cell structures, resulting in the provision and maintenance of adequate bending stiffness and buckling resistance while mediating the vibration. This cross-linkage strategy explains the mechanical stability of filopodial protrusion and helps understand the mechanisms of mechanically induced cellular activities.
Publisher: Elsevier BV
Date: 12-2017
Publisher: Science Publishing Group
Date: 2013
Publisher: Springer Science and Business Media LLC
Date: 06-11-2018
DOI: 10.1038/S41598-018-34804-X
Abstract: The atmospheric particles from different sources, and the therapeutic particles from various drug delivery devices, exhibit a complex size distribution, and the particles are mostly polydisperse. The limited available in vitro , and the wide range of in silico models have improved understanding of the relationship between monodisperse particle deposition and therapeutic aerosol transport. However, comprehensive polydisperse transport and deposition (TD) data for the terminal airways is still unavailable. Therefore, to benefit future drug therapeutics, the present numerical model illustrates detailed polydisperse particle TD in the terminal bronchioles for the first time. Euler-Lagrange approach and Rosin-Rammler diameter distribution is used for polydisperse particles. The numerical results show higher deposition efficiency (DE) in the right lung. Specifically, the larger the particle diameter (d p 5 μm), the higher the DE at the bifurcation area of the upper airways is, whereas for the smaller particle (d p 5 μm), the DE is higher at the bifurcation wall. The overall deposition pattern shows a different deposition hot spot for different diameter particle. These comprehensive lobe-specific polydisperse particle deposition studies will increase understanding of actual inhalation for particle TD, which could potentially increase the efficiency of pharmaceutical aerosol delivery at the targeted position of the terminal airways.
Publisher: SAGE Publications
Date: 2013
DOI: 10.1155/2013/653108
Abstract: Numerical investigation of free convection heat transfer in a differentially heated trapezoidal cavity filled with non-Newtonian Power-law fluid has been performed in this study. The left inclined surface is uniformly heated whereas the right inclined surface is maintained as uniformly cooled. The top and bottom surfaces are kept adiabatic with initially quiescent fluid inside the enclosure. Finite-volume-based commercial software FLUENT 14.5 is used to solve the governing equations. Dependency of various flow parameters of fluid flow and heat transfer is analyzed including Rayleigh number (Ra) ranging from 10 5 to 10 7 , Prandtl number (Pr) from 100 to 10,000, and power-law index ( n) from 0.6 to 1.4. Outcomes have been reported in terms of isotherms, streamlines, and local Nusselt number for various Ra, Pr, n, and inclined angles. Grid sensitivity analysis is performed and numerically obtained results have been compared with those results available in the literature and were in good agreement.
Publisher: Elsevier BV
Date: 2014
DOI: 10.1063/2.1405401
Publisher: Springer Science and Business Media LLC
Date: 27-01-2009
Publisher: Elsevier BV
Date: 09-2016
Publisher: Springer Science and Business Media LLC
Date: 07-09-2019
Publisher: MDPI AG
Date: 09-06-2021
Abstract: A comprehensive understanding of airflow characteristics and particle transport in the human lung can be useful in modelling to inform clinical diagnosis, treatment, and management, including prescription medication and risk assessment for rehabilitation. One of the difficulties in clinical treatment of lung disorders lies in the patients’ variable physical lung characteristics caused by age, amongst other factors, such as different lung sizes. A precise understanding of the comparison between different age groups with various flow rates is missing in the literature, and this study aims to analyse the airflow and aerosol transport within the age-specific lung. ANSYS Fluent solver and the large-eddy simulation (LES) model were employed for the numerical simulation. The numerical model was validated with the available literature and the computational results showed airway size-reduction significantly affected airflow and particle transport in the upper airways. This study reports higher deposition at the mouth-throat region for larger diameter particles. The overall deposition efficiency (DE) increased with airway size reduction and flow rate. Lung aging effected the pressure distribution and a higher pressure drop was reported for the aged lung as compared to the younger lung. These findings could inform medical management through in idualised simulation of drug-aerosol delivery processes for the patient-specific lung.
Publisher: MDPI AG
Date: 04-05-2020
DOI: 10.3390/APP10093209
Abstract: Storage lesion is a critical issue facing transfusion treatments, and it adversely affects the quality and viability of stored red blood cells (RBCs). RBC deformability is a key indicator of cell health. Deformability measurements of each RBC unit are a key challenge in transfusion medicine research and clinical haematology. In this paper, a numerical study, inspired from the previous research for RBC deformability and morphology predictions, is conducted for the first time, to investigate the deformability and morphology characteristics of RBCs undergoing storage lesion. This study investigates the evolution of the cell shape factor, elongation index and membrane spicule details, where applicable, of discocyte, echinocyte I, echinocyte II, echinocyte III and sphero-echinocyte morphologies during 42 days of in-vitro storage at 4 °C in saline-adenine-glucose-mannitol (SAGM). Computer simulations were performed to investigate the influence of storage lesion-induced membrane structural defects on cell deformability and its recoverability during optical tweezers stretching deformations. The predicted morphology and deformability indicate decreasing quality and viability of stored RBCs undergoing storage lesion. The loss of membrane structural integrity due to the storage lesion further degrades the cell deformability and recoverability during mechanical deformations. This numerical approach provides a potential framework to study the RBC deformation characteristics under varying pathophysiological conditions for better diagnostics and treatments.
Publisher: Elsevier BV
Date: 05-2015
Publisher: Trans Tech Publications, Ltd.
Date: 07-2011
DOI: 10.4028/WWW.SCIENTIFIC.NET/AMR.295-297.2651
Abstract: The conventional finite element method (FEM) cannot investigate the size effect on thermal residual stresses induced by the sintering process in micro multilayer ceramic capacitors (MLCCs). In this paper, a FE two-dimensional single layer model is developed for investigation of the effect of the micro scale on prediction of the residual thermal stresses in MLCCs. In this FE single layer model, the strain gradient effect is considered. It is found that with decreasing single layer thickness, the shear stress increases significantly in the ceramic layer near the electrode tip, which might cause cracking of the ceramic layer near the electrode tip. The numerical results also show that the predictions of the thermal residual stresses in MLCCs are strongly dependent on the micro scale. The residual thermal stresses induced by the sintering process exhibit strong size effects and, therefore, the strain gradient effect should be taken into account in the design and evaluation of MLCC devices.
Publisher: Royal Society of Chemistry (RSC)
Date: 2022
DOI: 10.1039/D2RA01892F
Abstract: Molecular-level observations of the behavior of ligand functionalised gold nanoparticles with a lipid monolayers.
Publisher: MDPI AG
Date: 21-09-2021
DOI: 10.3390/NANO11092456
Abstract: 3D Printed biodegradable polymeric scaffolds are critical to repair a bone defect, which can provide the in idual porous and network microenvironments for cell attachment and bone tissue regeneration. Biodegradable PCL/HA composites were prepared with the blending of poly(ε-caprolactone) (PCL) and hydroxyapatite nanoparticles (HA). Subsequently, the PCL/HA scaffolds were produced by the melting deposition-forming method using PCL/HA composites as the raw materials in this work. Through a serial of in vitro assessments, it was found that the PCL/HA composites possessed good biodegradability, low cell cytotoxicity, and good biocompatibility, which can improve the cell proliferation of osteoblast cells MC3T3-E1. Meanwhile, in vivo experiments were carried out for the rats with skull defects and rabbits with bone defects. It was observed that the PCL/HA scaffolds allowed the adhesion and penetration of bone cells, which enabled the growth of bone cells and bone tissue regeneration. With a composite design to load an anticancer drug (doxorubicin, DOX) and achieve sustained drug release performance, the multifunctional 3D printed PCL/HA/DOX scaffolds can enhance bone repair and be expected to inhibit probably the tumor cells after malignant bone tumor resection. Therefore, this work signifies that PCL/HA composites can be used as the potential biodegradable scaffolds for bone repairing.
Publisher: Elsevier BV
Date: 10-2019
Publisher: Elsevier BV
Date: 12-2015
Publisher: American Chemical Society (ACS)
Date: 26-04-2017
Publisher: Springer Science and Business Media LLC
Date: 20-11-2016
Publisher: Springer Science and Business Media LLC
Date: 17-08-2000
Publisher: Springer Science and Business Media LLC
Date: 07-12-2021
Publisher: World Scientific Pub Co Pte Lt
Date: 11-2014
Publisher: American Chemical Society (ACS)
Date: 15-09-2020
Publisher: Springer International Publishing
Date: 2014
Publisher: Wiley
Date: 08-07-2021
Abstract: Low‐dimensional carbon nanostructures are ideal nanofillers to reinforce the mechanical performance of polymer nanocomposites due to their excellent mechanical properties. Through molecular dynamics simulations, the mechanical performance of poly(vinyl alchohol) (PVA) nanocomposites reinforced with a single‐layer diamond – diamane is investigated. It is found the PVA/diamane exhibits similar interfacial strengths and pull‐out characteristics with the PVA/bilayer‐graphene counterpart. Specifically, when the nanofiller is fully embedded in the nanocomposite, it is unable to deform simultaneously with the PVA matrix due to the weak interfacial load transfer efficiency, thus the enhancement effect is not significant. In comparison, diamane can effectively promote the tensile properties of the nanocomposite when it has a laminated structure as it deforms simultaneously with the matrix. With this configuration, the interlayer sp 3 bonds endows diamane with a much higher resistance under compression and shear tests, thus the nanocomposite can reach very high compressive and shear stress. Overall, enhancement on the mechanical interlocking at the interface as triggered by surface functionalization is only effective for the fully embedded nanofiller. This work provides a fundamental understanding of the mechanical properties of PVA nanocomposites reinforced by diamane, which can shed lights on the design and preparation of next generation high‐performance nanocomposites.
Publisher: Royal Society of Chemistry (RSC)
Date: 2019
DOI: 10.1039/C8SM01593G
Abstract: The design and force interaction field of coarse-grained multiscale model to study the morphological behaviour of plant tissues during drying.
Publisher: Royal Society of Chemistry (RSC)
Date: 2021
DOI: 10.1039/D1NH00402F
Abstract: Two-dimensional ferroelectrics are core candidates for the development of next-generation non-volatile storage devices, which rely highly on ferroelectric stability and feasible approaches to manipulate the ferroelectric polarization and domain.
Publisher: American Chemical Society (ACS)
Date: 22-09-2021
Publisher: American Chemical Society (ACS)
Date: 29-06-2018
DOI: 10.1021/JACS.8B04599
Abstract: Metal-organic frameworks (MOFs) combining the merits of both organic and inorganic functional building structures are fundamentally important and can meet the requirement of vast scientific and technological applications. Intrigued from the fact that transition metals (TMs) are widely embedded in the carbon sp
Publisher: Hindawi Limited
Date: 2014
DOI: 10.1155/2014/412480
Abstract: The effect of radiation on natural convection of Newtonian fluid contained in an open cavity is investigated in this study. The governing partial differential equations are solved numerically using the Alternate Direct Implicit method together with the Successive Overrelaxation method. The study is focused on studying the flow pattern and the convective and radiative heat transfer rates are studied for different values of radiation parameters, namely, the optical thickness of the fluid, scattering albedo, and the Planck number. It was found that, in the optically thin limit, an increase in the optical thickness of the fluid raises the temperature and radiation heat transfer of the fluid. However, a further increase in the optical thickness decreases the radiative heat transfer rate due to increase in the energy level of the fluid, which ultimately reduces the total heat transfer rate within the fluid.
Publisher: Elsevier
Date: 2017
Publisher: Informa UK Limited
Date: 10-2012
Publisher: American Chemical Society (ACS)
Date: 05-01-2021
Publisher: Elsevier BV
Date: 05-2014
Publisher: Royal Society of Chemistry (RSC)
Date: 2015
DOI: 10.1039/C5RA05584A
Abstract: A numerical study of the tuning of the thermal conductivity of three-dimensional CNT-based nanotubes.
Publisher: Elsevier BV
Date: 09-2020
Publisher: Royal Society of Chemistry (RSC)
Date: 2019
DOI: 10.1039/C9NR02082A
Abstract: Layered sodium titanate nanowires exhibit ultra-large bending strain, which is accompanied by dislocation motion.
Publisher: American Chemical Society (ACS)
Date: 07-09-2022
Publisher: Informa UK Limited
Date: 06-2013
Publisher: AIP Publishing
Date: 12-2022
DOI: 10.1063/5.0133054
Abstract: Multiphase flow in porous media is involved in various natural and industrial applications, including water infiltration into soils, carbon geosequestration, and underground hydrogen storage. Understanding the invasion morphology at the pore scale is critical for better prediction of flow properties at the continuum scale in partially saturated permeable media. The deep learning method, as a promising technique to estimate the flow transport processes in porous media, has gained significant attention. However, existing works have mainly focused on single-phase flow, whereas the capability of data-driven techniques has yet to be applied to the pore-scale modeling of fluid–fluid displacement in porous media. Here, the conditional generative adversarial network is applied for pore-scale modeling of multiphase flow in two-dimensional porous media. The network is trained based on a data set of porous media generated using a particle-deposition method, with the corresponding invasion morphologies after the displacement processes calculated using a recently developed interface tracking algorithm. The results demonstrate the capability of data-driven techniques in predicting both fluid saturation and spatial distribution. It is also shown that the method can be generalized to estimate fluid distribution under different wetting conditions and particle shapes. This work represents the first effort at the application of the deep learning method for pore-scale modeling of immiscible fluid displacement and highlights the strength of data-driven techniques for surrogate modeling of multiphase flow in porous media.
Publisher: Public Library of Science (PLoS)
Date: 19-04-2019
Publisher: Elsevier BV
Date: 05-2003
Publisher: Springer Science and Business Media LLC
Date: 10-04-2019
DOI: 10.1038/S41598-019-42225-7
Abstract: Nanomaterials are currently the state-of-the-art in the development of advanced biomedical devices and applications where classical approaches have failed. To date, majority of the literature on nanomaterial interaction with cells have largely focused on the biological responses of cells obtained via assays, with little interest on their biophysical responses. However, recent studies have shown that the biophysical responses of cells, such as stiffness and adhesive properties, play a significant role in their physiological function. In this paper, we investigate cell biophysical responses after uptake of nanoparticles. Atomic force microscopy was used to study changes in cell stiffness and adhesion upon boron nitride (BN) and hydroxyapatite (HAP) nanoparticle uptake. Results show increase in cell stiffness with varying nanoparticle (BN and HAP) concentration, while a decrease in cell adhesion trigger by uptake of HAP. In addition, changes in the biochemical response of the cell membrane were observed via Raman spectroscopy of nanoparticle treated cells. These findings have significant implications in biomedical applications of nanoparticles, e.g. in drug delivery, advanced prosthesis and surgical implants.
Publisher: AIP Publishing
Date: 06-2021
DOI: 10.1063/5.0053351
Abstract: The recent outbreak of the SARS CoV-2 virus has had a significant effect on human respiratory health around the world. The contagious disease infected a large proportion of the world population, resulting in long-term health issues and an excessive mortality rate. The SARS CoV-2 virus can spread as small aerosols and enters the respiratory systems through the oral (nose or mouth) airway. The SARS CoV-2 particle transport to the mouth–throat and upper airways is analyzed by the available literature. Due to the tiny size, the virus can travel to the terminal airways of the respiratory system and form a severe health hazard. There is a gap in the understanding of the SARS CoV-2 particle transport to the terminal airways. The present study investigated the SARS CoV-2 virus particle transport and deposition to the terminal airways in a complex 17-generation lung model. This first-ever study demonstrates how far SARS CoV-2 particles can travel in the respiratory system. ANSYS Fluent solver was used to simulate the virus particle transport during sleep and light and heavy activity conditions. Numerical results demonstrate that a higher percentage of the virus particles are trapped at the upper airways when sleeping and in a light activity condition. More virus particles have lung contact in the right lung than the left lung. A comprehensive lobe specific deposition and deposition concentration study was performed. The results of this study provide a precise knowledge of the SARs CoV-2 particle transport to the lower branches and could help the lung health risk assessment system.
Publisher: Elsevier BV
Date: 03-2014
Publisher: Elsevier BV
Date: 12-2016
Publisher: American Chemical Society (ACS)
Date: 03-11-2021
Publisher: Royal Society of Chemistry (RSC)
Date: 2022
DOI: 10.1039/D1TA09019D
Abstract: In situ fabricated Bi 2 O 3 nanosheets with both α-Bi 2 O 3 and Bi x Ni alloy phases, simultaneously contributing to the water dissociation step and the hydrogen formation step, demonstrate high HER electrocatalytic activity in alkaline media.
Publisher: Trans Tech Publications, Ltd.
Date: 10-2010
DOI: 10.4028/WWW.SCIENTIFIC.NET/AMR.139-141.1843
Abstract: Masks are widely used in different industries, for ex le, traditional metal industry, hospitals or semiconductor industry. Quality is a critical issue in mask industry as it is related to public health and safety. Traditional quality practices for manufacturing process have some limitations in implementing them in mask industries. This paper aims to investigate the suitability of Six Sigma quality control method for the manufacturing process in the mask industry to provide high quality products, enhancing the process capacity, reducing the defects and the returned goods arising in a selected mask manufacturing company. This paper suggests that modifications necessary in Six Sigma method for effective implementation in mask industry.
Publisher: American Chemical Society (ACS)
Date: 14-05-2021
Publisher: AIP Publishing
Date: 2018
DOI: 10.1063/1.5000289
Abstract: Liquid marbles are liquid droplets coated with superhydrophobic powders whose morphology is governed by the gravitational and surface tension forces. Small liquid marbles take spherical shapes, while larger liquid marbles exhibit puddle shapes due to the dominance of gravitational forces. Liquid marbles coated with hydrophobic magnetic powders respond to an external magnetic field. This unique feature of magnetic liquid marbles is very attractive for digital microfluidics and drug delivery systems. Several experimental studies have reported the behavior of the liquid marbles. However, the complete behavior of liquid marbles under various environmental conditions is yet to be understood. Modeling techniques can be used to predict the properties and the behavior of the liquid marbles effectively and efficiently. A robust liquid marble model will inspire new experiments and provide new insights. This paper presents a novel numerical modeling technique to predict the morphology of magnetic liquid marbles based on coarse grained molecular dynamics concepts. The proposed model is employed to predict the changes in height of a magnetic liquid marble against its width and compared with the experimental data. The model predictions agree well with the experimental findings. Subsequently, the relationship between the morphology of a liquid marble with the properties of the liquid is investigated. Furthermore, the developed model is capable of simulating the reversible process of opening and closing of the magnetic liquid marble under the action of a magnetic force. The scaling analysis shows that the model predictions are consistent with the scaling laws. Finally, the proposed model is used to assess the compressibility of the liquid marbles. The proposed modeling approach has the potential to be a powerful tool to predict the behavior of magnetic liquid marbles serving as bioreactors.
Publisher: Elsevier BV
Date: 03-2016
Publisher: Trans Tech Publications, Ltd.
Date: 03-2010
DOI: 10.4028/WWW.SCIENTIFIC.NET/AMR.97-101.2664
Abstract: The large deformation analysis is one of major challenges in numerical modelling and simulation of metal forming. Because no mesh is used, the meshfree methods show good potential for the large deformation analysis. In this paper, a local meshfree formulation, based on the local weak-forms and the updated Lagrangian (UL) approach, is developed for the large deformation analysis. To fully employ the advantages of meshfree methods, a simple and effective adaptive technique is proposed, and this procedure is much easier than the re-meshing in FEM. Numerical ex les of large deformation analysis are presented to demonstrate the effectiveness of the newly developed nonlinear meshfree approach. It has been found that the developed meshfree technique provides a superior performance to the conventional FEM in dealing with large deformation problems for metal forming.
Publisher: Springer International Publishing
Date: 2020
Publisher: Hindawi Limited
Date: 2014
DOI: 10.1155/2014/718319
Abstract: Similarity solutions are carried out for flow of power law non-Newtonian fluid film on unsteady stretching surface subjected to constant heat flux. Free convection heat transfer induces thermal boundary layer within a semi-infinite layer of Boussinesq fluid. The nonlinear coupled partial differential equations (PDE) governing the flow and the boundary conditions are converted to a system of ordinary differential equations (ODE) using two-parameter groups. This technique reduces the number of independent variables by two, and finally the obtained ordinary differential equations are solved numerically for the temperature and velocity using the shooting method. The thermal and velocity boundary layers are studied by the means of Prandtl number and non-Newtonian power index plotted in curves.
Publisher: Wiley
Date: 15-08-2022
Abstract: A compact, stable, sustainable, and high‐energy density power supply system is crucial for the engineering deployment of mobile electromechanical devices/systems either at the small‐ or large‐scale. This work proposes a spiral‐based mechanical energy storage scheme utilizing the newly synthesized 2D diamane. Atomistic simulations show that diamane spiral can achieve a high theoretical gravimetric energy density of about 564 Wh kg −1 , about 14 500 times the steel spring. The interlayer friction between diamane is found to cause a strong stick–slip effect that results in local stress/strain concentration. As such, the energy storage capacity of the diamane spiral can be tuned by suppressing the influence from the interlayer friction. Simulations affirm that higher gravimetric energy density can be achieved by reducing the turn number or adopting a low friction contact pair. The fundamental principles that dominate the energy storage capacity of the spiral spring are theoretically analyzed, respectively. The obtained insights suggest that the 2D vdW solids can be promising candidates to construct spiral structures with a high gravimetric energy density. This work should be beneficial for the design of reliable, stable, and sustainable nanoscale mechanical energy storage schemes that can be used as an alternative low‐carbon footage energy supplier for novel micro‐/nanoscale devices or systems.
Publisher: Elsevier BV
Date: 12-2017
Publisher: Wiley
Date: 10-09-2023
Publisher: SAGE Publications
Date: 13-05-2014
Abstract: The majority of the current research on the mounting system has emphasised on the low/medium power engine, rare work has been reported for the high-speed and heavy-duty engine, the vibration characteristics of which exhibits significantly increased complexity and uncertainty. In this work, a general dynamics model was firstly established to describe the dynamic properties of a mounting system with various numbers of mounts. Then, this model was employed for the optimization of the mounting system. A modified Powell conjugate direction method was developed to improve the optimization efficiency. Basing on the optimization results obtained from the theoretical model, a mounting system was constructed for a V6 diesel engine. The experimental measurement of the vibration intensity of the mounting systems shows excellent agreement with the theoretical calculations, indicating the validity of the model. This dynamics model opens a new avenue in assessing and designing the mounting system for a high-speed and heavy-duty engine. On the other hand, the delineated dynamics model, and the optimization algorithm should find wide applications for other mounting systems, such as the power transmission system which usually has various uncertain mounts.
Publisher: Springer Science and Business Media LLC
Date: 07-01-2017
DOI: 10.1007/S10237-016-0870-6
Abstract: Collagen is an abundant structural biopolymer in mammal vertebrates, providing structural support as well as mechanical integrity for connective tissues such as bone, ligament, and tendon. The mechanical behaviours of these tissues are determined by the nanomechanics of their structures at different hierarchies and the role of collagen structures in the extracellular matrix. Some studies revealed that there is significant microstructural difference in the longitudinal direction of the collagen fibril, which challenges the conventional rod-like assumption prevalently adopted in the existing studies. Motivated by this discrepancy, in this study, we investigated the longitudinal heterogeneous nanomechanical properties of type I collagen molecule to probe the origin of the longitudinal heterogeneity of the collagen fibril at the molecular level. A full length type I collagen molecule structure was built based on the experimentally calibrated nanostructure. Then, a suitable strain rate was determined for stretching the three intact 'gap' regions and three intact 'overlap' regions of the collagen molecule. Further, the nanomechanical properties of the six collagen molecule segments were characterized by performing steered molecular dynamics simulations, using the obtained suitable strain rate in modelling. The results indicate that this computational model can be used to capture the mechanical behaviour of the collagen molecule under physiological stress conditions. Moreover, the 'gap' regions show a lower stiffness and undergo a slightly lager strain in the unwinding process, compared to the 'overlap' regions of the collagen molecule. This investigation provides insights into the origin of the longitudinal heterogeneity of collagen fibrils at the molecular level and suggests that it is of significant importance to consider the longitudinal heterogeneous mechanical properties of the collagen molecule in the development of coarse-grained models of collagen-related tissues.
Publisher: Elsevier BV
Date: 05-2004
Publisher: Springer-Verlag
Date: 2005
Publisher: World Scientific Pub Co Pte Lt
Date: 11-2012
DOI: 10.1142/S0218127412502811
Abstract: The paper presents a detailed analysis on the collective dynamics and delayed state feedback control of a three-dimensional delayed small-world network. The trivial equilibrium of the model is first investigated, showing that the uncontrolled model exhibits complicated unbounded behavior. Then three control strategies, namely a position feedback control, a velocity feedback control, and a hybrid control combined velocity with acceleration feedback, are then introduced to stabilize this unstable system. It is shown in these three control schemes that only the hybrid control can easily stabilize the 3-D network system. And with properly chosen delay and gain in the delayed feedback path, the hybrid controlled model may have stable equilibrium, or periodic solutions resulting from the Hopf bifurcation, or complex stranger attractor from the period-doubling bifurcation. Moreover, the direction of Hopf bifurcation and stability of the bifurcation periodic solutions are analyzed. The results are further extended to any "d" dimensional network. It shows that to stabilize a "d" dimensional delayed small-world network, at least a "d – 1" order completed differential feedback is needed. This work provides a constructive suggestion for the high dimensional delayed systems.
Publisher: Informa UK Limited
Date: 11-2005
Publisher: American Chemical Society (ACS)
Date: 26-03-2018
Publisher: Elsevier BV
Date: 2011
Publisher: Trans Tech Publications, Ltd.
Date: 02-2008
DOI: 10.4028/WWW.SCIENTIFIC.NET/AMR.32.263
Abstract: Meshless method has advantages in analyzing the deformation around a crack. However, the effectiveness of such method is influenced by the treatment of local support domain which is a base for an appropriate selection of field nodes in the construction of shape functions. In the current practice, the methods to determine support domain have some drawbacks. It is therefore beneficial to develop a more flexible technique for determining the support domain in crack simulation. This paper presents such a technique which could be used in both regularly and irregularly distributed nodes. Numerical ex les show that the technique produces accurate results in these two situations. Moreover, the new technique can be integrated with different types of meshless methods to provide an effective way in handling arbitrary nodal distribution to meet the needs of solutions to problems with complex geometric boundaries.
Publisher: IOP Publishing
Date: 18-09-2014
Publisher: Elsevier BV
Date: 12-2021
Publisher: Trans Tech Publications, Ltd.
Date: 10-2010
DOI: 10.4028/WWW.SCIENTIFIC.NET/AMR.154-155.239
Abstract: In this paper, two ideal formation models of serrated chips, the symmetric formation model and the unilateral right-angle formation model, have been established for the first time. Based on the ideal models and related adiabatic shear theory of serrated chip formation, the theoretical relationship among average tooth pitch, average tooth height and chip thickness are obtained. Further, the theoretical relation of the passivation coefficient of chip’s sawtooth and the chip thickness compression ratio is deduced as well. The comparison between these theoretical prediction curves and experimental data shows good agreement, which well validates the robustness of the ideal chip formation models and the correctness of the theoretical deducing analysis. The proposed ideal models may have provided a simple but effective theoretical basis for succeeding research on serrated chip morphology. Finally, the influences of most principal cutting factors on serrated chip formation are discussed on the basis of a series of finite element simulation results for practical advices of controlling serrated chips in engineering application.
Publisher: Springer Science and Business Media LLC
Date: 28-11-2022
Publisher: Elsevier BV
Date: 2014
Publisher: Elsevier BV
Date: 2015
Publisher: Springer International Publishing
Date: 2015
Publisher: Elsevier BV
Date: 11-2015
Publisher: AIP Publishing
Date: 07-09-2015
DOI: 10.1063/1.4929498
Abstract: Due to anatomical and biomechanical similarities to human shoulder, kangaroo was chosen as a model to study shoulder cartilage. Comprehensive enzymatic degradation and indentation tests were applied on kangaroo shoulder cartilage to study mechanisms underlying its strain-rate-dependent mechanical behavior. We report that superficial collagen plays a more significant role than proteoglycans in facilitating strain-rate-dependent behavior of the kangaroo shoulder cartilage. By comparing the mechanical properties of degraded and normal cartilages, it was noted that proteoglycan and collagen degradation significantly compromised strain-rate-dependent mechanical behavior of the cartilage. Superficial collagen contributed equally to the tissue behavior at all strain-rates. This is different to the studies reported on knee cartilage and confirms the importance of superficial collagen on shoulder cartilage mechanical behavior. A porohyperelastic numerical model also indicated that collagen disruption would lead to faster damage of the shoulder cartilage than when proteoglycans are depleted.
Publisher: Springer Science and Business Media LLC
Date: 12-2003
Publisher: American Chemical Society (ACS)
Date: 28-12-2021
Abstract: Electrically controlled magnetism in two-dimensional (2D) multiferroics is highly desirable for both fundamental research and the future development of low-power nanodevices. Herein, inspired by the recently experimentally realized 2D antiferromagnetic MnPSe
Publisher: Elsevier BV
Date: 07-2014
Publisher: Elsevier BV
Date: 12-2021
Publisher: Elsevier BV
Date: 07-2014
Publisher: Elsevier BV
Date: 06-2017
Publisher: Wiley
Date: 27-12-2022
Abstract: Topological materials have been recently regarded as ideal catalysts for heterogeneous reactions due to their surface metallic states and high carrier mobility. However, the underlying relationship between their catalytic performance and topological states is under debate. It has been discovered that the electride 12CaO·7Al 2 O 3 (C12A7:4e − ) hosts multifold fermions and Fermi arcs on the (001) surface near the Fermi level due to the interstitial electrons. Through the comparison of catalytic performance under different doping and strain conditions, based on the hydrogen evolution process, it has been demonstrated that the excellent catalytic performance indeed originates from topological properties. A linear relationship between the length of Fermi arcs, and Gibbs free energy (ΔG H* ) has been found, which not only provides the direct evidence to link the enhanced catalytic performance and surface Fermi arc states, but also fully clarifies the fundamental mechanism in topological catalysis.
Publisher: World Scientific Pub Co Pte Ltd
Date: 09-2010
DOI: 10.1142/S0219876210002295
Abstract: A conforming point interpolation method (CPIM) is proposed based on the Galerkin formulation for 2D mechanics problems using triangular background cells. A technique for reconstructing the PIM shape functions is proposed to create a continuous displacement field over the whole problem domain, which guarantees the CPIM passing the standard patch test. We prove theoretically the existence and uniqueness of the CPIM solution, and conduct detailed analyses on the convergence rate computational efficiency and band width of the stiffness matrix of CPIM. The CPIM does not introduce any additional degrees of freedoms compared to the linear FEM and original PIM while convergence rate of quadratic CPIM is in between that of linear FEM and quadratic FEM which results in the high computational efficiency. Intensive numerical studies verify the properties of the CPIM.
Publisher: AIP Publishing
Date: 15-04-2012
DOI: 10.1063/1.3703673
Abstract: Several studies of the surface effect on bending properties of a nanowire (NW) have been conducted. However, these analyses are mainly based on theoretical predictions, and there is seldom integration study in combination between theoretical predictions and simulation results. Thus, based on the molecular dynamics (MD) simulation and different modified beam theories, a comprehensive theoretical and numerical study for bending properties of nanowires considering surface/intrinsic stress effects and axial extension effect is conducted in this work. The discussion begins from the Euler-Bernoulli beam theory and Timoshenko beam theory augmented with surface effect. It is found that when the NW possesses a relatively small cross-sectional size, these two theories cannot accurately interpret the true surface effect. The incorporation of axial extension effect into Euler-Bernoulli beam theory provides a nonlinear solution that agrees with the nonlinear-elastic experimental and MD results. However, it is still found inaccurate when the NW cross-sectional size is relatively small. Such inaccuracy is also observed for the Euler-Bernoulli beam theory augmented with both contributions from surface effect and axial extension effect. A comprehensive model for completely considering influences from surface stress, intrinsic stress, and axial extension is then proposed, which leads to good agreement with MD simulation results. It is thus concluded that, for NWs with a relatively small cross-sectional size, a simple consideration of surface stress effect is inappropriate, and a comprehensive consideration of the intrinsic stress effect is required.
Publisher: Informa UK Limited
Date: 13-09-2017
Publisher: Royal Society of Chemistry (RSC)
Date: 2016
DOI: 10.1039/C6NR02414A
Abstract: As a potential building block for the next generation of devices/multifunctional materials that are spreading in almost every technology sector, one-dimensional (1D) carbon nanomaterial has received intensive research interests. Recently, a new ultra-thin diamond nanothread (DNT) has joined this palette, which is a 1D structure with poly-benzene sections connected by Stone-Wales (SW) transformation defects. Using large-scale molecular dynamics simulations, we found that this sp(3) bonded DNT can transition from brittle to ductile behaviour by varying the length of the poly-benzene sections, suggesting that DNT possesses entirely different mechanical responses than other 1D carbon allotropes. Analogously, the SW defects behave like a grain boundary that interrupts the consistency of the poly-benzene sections. For a DNT with a fixed length, the yield strength fluctuates in the vicinity of a certain value and is independent of the "grain size". On the other hand, both yield strength and yield strain show a clear dependence on the total length of DNT, which is due to the fact that the failure of the DNT is dominated by the SW defects. Its highly tunable ductility together with its ultra-light density and high Young's modulus makes diamond nanothread ideal for the creation of extremely strong three-dimensional nano-architectures.
Publisher: Springer Singapore
Date: 2021
Publisher: Springer Science and Business Media LLC
Date: 04-11-2014
Publisher: AIP Publishing
Date: 28-01-2019
DOI: 10.1063/1.5079438
Abstract: Liquid marbles can be characterized using elastic solid models consisting of a liquid surrounded by a soft solid membrane. The elastic properties of liquid marbles determine the amount of compression under a given external force. This is an important property as the elasticity of liquid marbles determines their morphology under a given stress. We show that the stress-strain relationship of liquid marbles can be described by σ*Bo=0.6[1/(1−εhro)2−1], where Bo is the Bond number, σ* is the normalised stress, and εhr0 is the strain measured with respect to the equivalent radius of the liquid marble. This stress-strain relationship could pave the way for the development of microfluidic devices with robust liquid marbles.
Publisher: Elsevier BV
Date: 03-2018
Publisher: Informa UK Limited
Date: 12-2011
Publisher: World Scientific Pub Co Pte Lt
Date: 06-2012
DOI: 10.1142/S0219876212400336
Abstract: This paper formulates an edge-based smoothed conforming point interpolation method (ES-CPIM) for solid mechanics using the triangular background cells. In the ES-CPIM, a technique for obtaining conforming PIM shape functions (CPIM) is used to create a continuous and piecewise quadratic displacement field over the whole problem domain. The smoothed strain field is then obtained through smoothing operation over each smoothing domain associated with edges of the triangular background cells. The generalized smoothed Galerkin weak form is then used to create the discretized system equations. Numerical studies have demonstrated that the ES-CPIM possesses the following good properties: (1) ES-CPIM creates conforming quadratic PIM shape functions, and can always pass the standard patch test (2) ES-CPIM produces a quadratic displacement field without introducing any additional degrees of freedom (3) The results of ES-CPIM are generally of very high accuracy.
Publisher: Springer Science and Business Media LLC
Date: 10-08-2005
Publisher: American Chemical Society (ACS)
Date: 23-02-2022
DOI: 10.1021/ACS.JPCLETT.2C00177
Abstract: Rotation/twisting of bilayers could induce unprecedented new physics due to stacking-dependent electronic properties and interlayer coupling, such as the superconductivity in twisted bilayer graphene, which can find applications in electronics. However, deep understanding at the atomic/electronic levels is limited by the capability of accurate theoretical simulations. Here, from first-principles simulations, we found that the AgBiP
Publisher: Elsevier BV
Date: 09-2022
Publisher: American Chemical Society (ACS)
Date: 03-10-2019
Publisher: Oxford University Press (OUP)
Date: 19-03-2020
Abstract: Collagen undergoes many types of post-translational modifications (PTMs), including intracellular modifications and extracellular modifications. Among these PTMs, glycosylation of hydroxylysine (Hyl) is the most complicated. Experimental studies demonstrated that this PTM ceases once the collagen triple helix is formed and that Hyl-O-glycosylation modulates collagen fibrillogenesis. However, the underlying atomic-level mechanisms of these phenomena remain unclear. In this study, we first adapted the force field parameters for O-linkages between Hyl and carbohydrates and then investigated the influence of Hyl-O-glycosylation on the structure of type I collagen molecule, by performing comprehensive molecular dynamic simulations in explicit solvent of collagen molecule segment with and without the glycosylation of Hyl. Data analysis demonstrated that (i) collagen triple helices remain in a triple-helical structure upon glycosylation of Hyl (ii) glycosylation of Hyl modulates the peptide backbone conformation and their solvation environment in the vicinity and (iii) the attached sugars are arranged such that their hydrophilic faces are well exposed to the solvent, while their hydrophobic faces point towards the hydrophobic portions of collagen. The adapted force field parameters for O-linkages between Hyl and carbohydrates will aid future computational studies on proteins with Hyl-O-glycosylation. In addition, this work, for the first time, presents the detailed effect of Hyl-O-glycosylation on the structure of human type I collagen at the atomic level, which may provide insights into the design and manufacture of collagenous biomaterials and the development of biomedical therapies for collagen-related diseases.
Publisher: Elsevier BV
Date: 2014
Publisher: Elsevier BV
Date: 02-2020
Publisher: American Chemical Society (ACS)
Date: 11-2019
Publisher: Springer Science and Business Media LLC
Date: 12-2016
Publisher: Elsevier BV
Date: 11-2017
DOI: 10.1016/J.MRI.2017.07.010
Abstract: Kangaroo knee cartilages are robust tissues that can support knee flexion and endure high levels of compressive stress. This study aimed to develop a detailed understanding of the collagen architecture in kangaroo knee cartilages and thus obtain insights into the biophysical basis of their function. Cylindrical/square plugs from femoral and tibial hyaline cartilage and tibial fibrocartilage were excised from the knees of three adult red kangaroos. Multi-slice, multi-echo MR images were acquired at the s le orientations 0° and 55° ("magic angle") with respect to the static magnetic field. Maps of the transverse relaxation rate constant (R The R Our observations suggest that the well-developed superficial zone of femoral hyaline cartilage is suitable for supporting knee flexion the thick and well-aligned radial zone of tibial hyaline cartilage is adapted to endure high compressive stress while the innermost part of the radial zone of tibial fibrocartilage may facilitate anchoring of the collagen fibres to withstand high shear deformation. These findings may inspire new designs for cartilage tissue engineering.
Publisher: Royal Society of Chemistry (RSC)
Date: 2016
DOI: 10.1039/C5NR07715J
Abstract: Single layered transition metal dichalcogenides have attracted tremendous research interest due to their structural phase ersities. By using a global optimization approach, we have discovered a new phase of transition metal dichalcogenides (labelled as T''), which is confirmed to be energetically, dynamically and kinetically stable by our first-principles calculations. The new T'' MoS2 phase exhibits an intrinsic quantum spin Hall (QSH) effect with a nontrivial gap as large as 0.42 eV, suggesting that a two-dimensional (2D) topological insulator can be achieved at room temperature. Most interestingly, there is a topological phase transition simply driven by a small tensile strain of up to 2%. Furthermore, all the known MX2 (M = Mo or W X = S, Se or Te) monolayers in the new T'' phase unambiguously display similar band topologies and strain controlled topological phase transitions. Our findings greatly enrich the 2D families of transition metal dichalcogenides and offer a feasible way to control the electronic states of 2D topological insulators for the fabrication of high-speed spintronics devices.
Publisher: Trans Tech Publications, Ltd.
Date: 12-2013
DOI: 10.4028/WWW.SCIENTIFIC.NET/AMR.602-604.1181
Abstract: Distal tibial fractures are now commonly treated via intermedullary plate fixation due to higher rates of union and lower rates of postoperative complications. However, patient specific bone morphology demands manual deformation of the plate to ensure appropriate fit along the bone contours, and depending on the material of the plate, different outcomes have been reported along with postoperative complications. A comparative analysis of Stainless Steel 316L and Ti-6Al-4V alloys was carried to estimate the safe bending limit for appropriate fits. The results from the ANSYS FEA simulations were validated with experiments based on ASTM F382-99. It is found that SS316L is better suited for large deformations (up to 16˚ in proximal tip and 7.5˚ in distal end) and Ti for smaller deformation contours (up to 3˚ in proximal tip and 1.8˚ in distal end). The results of this study have profound implications for the choice of plates based on preliminary radiographical fracture examinations to ensure better fixation and higher rates of union of distal tibial fractures.
Publisher: Elsevier BV
Date: 12-2020
Publisher: World Scientific Pub Co Pte Lt
Date: 11-2014
DOI: 10.1142/S0219876213440052
Abstract: Various studies have been conducted to investigate the effects of impact loading on cartilage damage and chondrocyte death. These have shown that the rate and magnitude of the applied strain significantly influence chondrocyte death, and that cell death occurred mostly in the superficial zone of cartilage suggesting the need to further understand the fundamental mechanisms underlying the chondrocytes death induced at certain levels of strain-rate. To date there is no comprehensive study providing insight on this phenomenon. The aim of this study is to examine the strain-rate dependent behavior of a single chondrocyte using a computational approach based on finite element method (FEM). An FEM model was developed using various mechanical models, which were standard Neo-Hookean solid (SnHS), porohyperelastic (PHE) and poroviscohyperelastic (PVHE) to simulate atomic force microscopy (AFM) experiments of chondrocyte. The PVHE showed, it can capture both relaxation and loading rate dependent behaviors of chondrocytes, accurately compared to other models.
Publisher: World Scientific Pub Co Pte Ltd
Date: 13-04-2017
DOI: 10.1142/S0219876217500232
Abstract: For smoothed particle hydrodynamics (SPH), homogeneous particle distribution is important to ensure the computational accuracy and stability, but it is hard to achieve this for complex geometries. In this paper, a new particle generation method is developed to generate particles for arbitrary 2D geometries. In the method, the geometry required for generating particles is orthogonally partitioned into a series of sub-domains. Among the resultant sub-domains, the most ones having standard area are directly converted into particles. The others are iteratively meshed into elements with nearly standard area and particles are placed according to these elements. The present method is implemented based on Abaqus. Ex les of particle generation are given to compare various particle generation methods. It is found that the present method shows advantages over some existing methods in the approximation of geometric boundary as well as the regularity and homogeneity of particle distribution. Several physical problems are adopted to examine the influence of initial particle distribution on SPH solution. The calculated results show that particle distributions generated by the present method can lead to better accuracy and stability than those created by some existing methods.
Publisher: Springer Science and Business Media LLC
Date: 07-10-2015
Publisher: AIP
Date: 2010
DOI: 10.1063/1.3452195
Publisher: Royal Society of Chemistry (RSC)
Date: 2016
DOI: 10.1039/C6NR07271B
Abstract: Recent reports of successful synthesis of atomically thin boron films have raised great prospects of discovering novel electronic and transport properties in a new type of 2D materials. Here we show by first-principles calculations that monolayer and bilayer γ-B
Publisher: AIP
Date: 2010
DOI: 10.1063/1.3452194
Publisher: Springer Science and Business Media LLC
Date: 26-08-2021
DOI: 10.1038/S41467-021-25426-5
Abstract: Efficient and selective CO 2 electroreduction into chemical fuels promises to alleviate environmental pollution and energy crisis, but it relies on catalysts with controllable product selectivity and reaction path. Here, by means of first-principles calculations, we identify six ferroelectric catalysts comprising transition-metal atoms anchored on In 2 Se 3 monolayer, whose catalytic performance can be controlled by ferroelectric switching based on adjusted d -band center and occupation of supported metal atoms. The polarization dependent activation allows effective control of the limiting potential of CO 2 reduction on TM@In 2 Se 3 (TM = Ni, Pd, Rh, Nb, and Re) as well as the reaction paths and final products on Nb@In 2 Se 3 and Re@In 2 Se 3 . Interestingly, the ferroelectric switching can even reactivate the stuck catalytic CO 2 reduction on Zr@In 2 Se 3 . The fairly low limiting potential and the unique ferroelectric controllable CO 2 catalytic performance on atomically dispersed transition-metals on In 2 Se 3 clearly distinguish them from traditional single atom catalysts, and open an avenue toward improving catalytic activity and selectivity for efficient and controllable electrochemical CO 2 reduction reaction.
Publisher: MDPI AG
Date: 10-05-2023
DOI: 10.3390/DIAGNOSTICS13101689
Abstract: Detection of early clinical keratoconus (KCN) is a challenging task, even for expert clinicians. In this study, we propose a deep learning (DL) model to address this challenge. We first used Xception and InceptionResNetV2 DL architectures to extract features from three different corneal maps collected from 1371 eyes examined in an eye clinic in Egypt. We then fused features using Xception and InceptionResNetV2 to detect subclinical forms of KCN more accurately and robustly. We obtained an area under the receiver operating characteristic curves (AUC) of 0.99 and an accuracy range of 97–100% to distinguish normal eyes from eyes with subclinical and established KCN. We further validated the model based on an independent dataset with 213 eyes examined in Iraq and obtained AUCs of 0.91–0.92 and an accuracy range of 88–92%. The proposed model is a step toward improving the detection of clinical and subclinical forms of KCN.
Publisher: Springer Science and Business Media LLC
Date: 11-03-2023
Publisher: Springer Science and Business Media LLC
Date: 12-04-2022
DOI: 10.1007/S10237-022-01567-4
Abstract: In this work, a numerical model that enables simulation of the deformation and flow behaviour of differently aged Red Blood Cells (RBCs) is developed. Such cells change shape and decrease in deformability as they age, thus impacting their ability to pass through the narrow capillaries in the body. While the body filters unviable cells from the blood naturally, cell aging poses key challenges for blood stored for transfusions. Therefore, understanding the influence RBC morphology and deformability have on their flow is vital. While several existing models represent young Discocyte RBC shapes well, a limited number of numerical models are developed to model aged RBC morphologies like Stomatocytes and Echinocytes. The existing models are also limited to shear and stretching simulations. Flow characteristics of these morphologies are yet to be investigated. This paper aims to develop a new membrane formulation for the numerical modelling of Stomatocyte, Discocytes and Echinocyte RBC morphologies to investigate their deformation and flow behaviour. The model used represents blood plasma using the Lattice Boltzmann Method (LBM) and the RBC membrane using the discrete element method (DEM). The membrane and the plasma are coupled by the Immersed Boundary Method (IBM). Previous LBM-IBM-DEM formulations represent RBC membrane response based on forces generated from changes in the local area, local length, local bending, and cell volume. In this new model, two new force terms are added: the local area difference force and the local curvature force, which are specially incorporated to model the flow and deformation behaviour of Stomatocytes and Echinocytes. To verify the developed model, the deformation behaviour of the three types of RBC morphologies are compared to well-characterised stretching and shear experiments. The flow modelling capabilities of the method are then demonstrated by modelling the flow of each cell through a narrow capillary. The developed model is found to be as accurate as benchmark Smoothed Particle Hydrodynamics (SPH) approaches while being significantly more computationally efficient.
Publisher: Elsevier BV
Date: 12-2017
Publisher: Elsevier BV
Date: 05-2001
Publisher: Elsevier BV
Date: 09-2020
Publisher: Elsevier BV
Date: 11-2022
Publisher: Elsevier BV
Date: 10-2018
Publisher: MDPI AG
Date: 20-08-2022
Abstract: The depletion of air quality is a major problem that is faced around the globe. In Australia, the pollutants emitted by bushfires play an important role in making the air polluted. These pollutants in the air result in many adverse impacts on the environment. This paper analysed the air pollution from the bushfires from November 2019 to July 2020 and identified how it affects the human respiratory system. The bush fires burnt over 13 million hectares, destroying over 2400 buildings. While these immediate effects were devastating, the long-term effects were just as devastating, with air pollution causing thousands of people to be admitted to hospitals and emergency departments because of respiratory complications. The pollutant that caused most of the health effects throughout Australia was Particulate Matter (PM) PM2.5 and PM10. Data collection and analysis were covered in this paper to illustrate where and when PM2.5 and PM10, and other pollutants were at their most concerning levels. Susceptible areas were identified by analysing environmental factors such as temperature and wind speed. The study identified how these pollutants in the air vary from region to region in the same time interval. This study also focused on how these pollutant distributions vary according to the temperature, which helps to determine the relationship between the heatwave and air quality. A computational model for PM2.5 aerosol transport to the realistic airways was also developed to understand the bushfire exhaust aerosol transport and deposition in airways. This study would improve the knowledge of the heat wave and bushfire meteorology and corresponding respiratory health impacts.
Publisher: Elsevier BV
Date: 09-2015
Publisher: Elsevier BV
Date: 03-2019
Publisher: Trans Tech Publications, Ltd.
Date: 09-2011
DOI: 10.4028/WWW.SCIENTIFIC.NET/AMR.335-336.498
Abstract: Molecular dynamics (MD) simulations have been carried out to investigate the defect’s effect on the mechanical properties of single-crystal copper nanowire with different surface defects, under torsion deformation. The torsional rigidity is found insensitive to the surface defects and the critical angle appears an obvious decrease due to the surface defects, the largest decrease is found for the nanowire with surface horizon defect. The deformation mechanism appears different degrees of influence due to surface defects. The surface defects play a role of dislocation sources. Comparing with single intrinsic stacking faults formation for the perfect nanowire, much affluent deformation processes have been activated because of surface defects, for instance, we find the twins formation for the nanowire with a surface 45 o defect.
Publisher: IOP Publishing
Date: 17-07-2015
DOI: 10.1088/0957-4484/26/31/315501
Abstract: The capabilities of the mechanical resonator-based nanosensors in detecting ultra-small mass or force shifts have driven a continuing exploration of the palette of nanomaterials for such application purposes. Based on large-scale molecular dynamics simulations, we have assessed the applicability of a new class of carbon nanomaterials for nanoresonator usage, i.e. the single-wall carbon nanotube (SWNT) network. It is found that SWNT networks inherit excellent mechanical properties from the constituent SWNTs, possessing a high natural frequency. However, although a high quality factor is suggested from the simulation results, it is hard to obtain an unambiguous Q-factor due to the existence of vibration modes in addition to the dominant mode. The nonlinearities resulting from these extra vibration modes are found to exist uniformly under various testing conditions including different initial actuations and temperatures. Further testing shows that these modes can be effectively suppressed through the introduction of axial strain, leading to an extremely high quality factor in the order of 10(9) estimated from the SWNT network with 2% tensile strain. Additional studies indicate that the carbon rings connecting the SWNTs can also be used to alter the vibrational properties of the resulting network. This study suggests that the SWNT network can be a good candidate for applications as nanoresonators.
Publisher: American Chemical Society (ACS)
Date: 17-06-2016
Abstract: Hydrotalcite (HT)-based materials are usually applied to capture anionic pollutants in aqueous solutions. Generally considered anion exchangers, their ability to capture radioactive cations is rarely exploited. In the present work, we explored the ability of pristine and calcined HT getters to effectively capture radioactive cations (Sr(2+) and Ba(2+)) which can be securely stabilized at the getter surface. It is found that calcined HT outperforms its pristine counterpart in cation removal ability. Meanwhile, a novel anion removal mechanism targeting radioactive I(-) is demonstrated. This approach involves HT surface modification with silver species, namely, Ag2CO3 nanoparticles, which can attach firmly on HT surface by forming coherent interface. This HT-based anion getter can be further used to capture I(-) in aqueous solution. The observed I(-) uptake mechanism is distinctly different from the widely reported ion exchange mechanism of HT and much more efficient. As a result of the high local concentrations of precipitants on the getters, radioactive ions in water can be readily immobilized onto the getter surface by forming precipitates. The secured ionic pollutants can be subsequently removed from water by filtration or sedimentation for safe disposal. Overall, these stable, inexpensive getters are the materials of choice for removal of trace ionic pollutants from bulk radioactive liquids, especially during episodic environmental crisis.
Publisher: Springer Science and Business Media LLC
Date: 02-2018
Publisher: Springer Science and Business Media LLC
Date: 23-11-2018
Publisher: Emerald
Date: 02-11-2015
Abstract: – In this work, an SFEM is proposed for solving acoustic problems by redistributing the entries in the mass matrix to “tune” the balance between “stiffness” and “mass” of discrete equation systems, aiming to minimize the dispersion error. The paper aims to discuss this issue. – This is done by simply shifting the four integration points’ locations when computing the entries of the mass matrix in the scheme of SFEM, while ensuring the mass conservation. The proposed method is devised for bilinear quadratic elements. – The balance between “stiffness” and “mass” of discrete equation systems is critically important in simulating wave propagation problems such as acoustics. A formula is also derived for possibly the best mass redistribution in terms of minimizing dispersion error reduction. Both theoretical and numerical ex les demonstrate that the present method possesses distinct advantages compared with the conventional SFEM using the same quadrilateral mesh. – After introducing the mass-redistribution technique, the magnitude of the leading relative dispersion error (the quadratic term) of MR-SFEM is bounded by (5/8), which is much smaller than that of original SFEM models with traditional mass matrix (13/4) and consistence mass matrix (2). Owing to properly turning the balancing between stiffness and mass, the MR-SFEM achieves higher accuracy and much better natural eigenfrequencies prediction than the original SFEM does.
Publisher: Springer Science and Business Media LLC
Date: 21-10-2015
Publisher: American Chemical Society (ACS)
Date: 15-10-2019
DOI: 10.1021/ACS.NANOLETT.9B02685
Abstract: It is challenging but important to understand the mechanical properties of one-dimensional (1D) nanomaterials for their design and integration into nanodevices. Generally, brittle ceramic nanowires (NWs) cannot withstand a large bending strain. Herein,
Publisher: Elsevier BV
Date: 10-2014
Publisher: Elsevier BV
Date: 11-2021
Publisher: IOP Publishing
Date: 03-2018
Publisher: Elsevier BV
Date: 10-2018
DOI: 10.1016/J.ACTBIO.2018.09.019
Abstract: Interactions between bone morphogenetic protein-2 (BMP-2) and biomaterial surfaces are of great significance in the fields of regenerative medicine and bone tissue engineering. In this work, the adsorption and desorption behaviors of BMP-2 on a series of nano-textured hydroxyapatite (HAP) surfaces were systematically investigated by combined molecular dynamic (MD) simulations and steered molecular dynamic (SMD) simulations. The textured HAP surfaces exhibited nanostructured topographies and played a critical role in the mediation of dynamic behaviors of BMP-2. Compared to the HAP-flat model, the HAP-1:1 group (means ridge vs groove = 1:1) showed the excellent ability to capture BMP-2, less conformation change of BMP-2 molecule, and high cysteine-knot stability during the adsorption and desorption processes. These findings suggest that nano-textured HAP surfaces are more capable of loading BMP-2 molecules, and most importantly, they can help maintain a higher biological activity of BMP-2 cargos. In the present study, for the first time, we have deeply clarified the adsorption and desorption dynamics of BMP-2 on various nano-textured HAP surfaces at the atomic level, which can provide significant guidelines for the future design of BMP-2-based tissue engineering implants/scaffolds. STATEMENT OF SIGNIFICANCE: By using combined molecular dynamic (MD) simulations and steered molecular dynamic (SMD) simulations, the adsorption and desorption dynamics of bone morphogenetic protein-2 (BMP-2) dimer on a series of nano-textured hydroxyapatite (HAP) surfaces at the atomic level were presented in details for the first time. We have proved that the HAP-1:1 model (means ridge vs groove = 1:1) possessed excellent ability to capture BMP-2, less conformation change, and high cysteine-knot stability. As a result, the nano-textured topography of HAP-1:1 could maintain a relatively high biological activity of BMP-2 cargos. This work could provide theoretical guidelines for the design of BMP-2-based implants/scaffolds for bone tissue engineering.
Publisher: Trans Tech Publications, Ltd.
Date: 06-2007
DOI: 10.4028/WWW.SCIENTIFIC.NET/KEM.340-341.955
Abstract: This paper presents a concurrent multiscale method for the stress analysis of solids using a coupled meshless and molecular dynamic analysis. A new transition algorithm using transition particles was employed to ensure the compatibility of both displacements and their gradients. The equivalent continuum strain energy density was obtained locally based on the atomic potential and Cauchy-Born rule, and hence plasticity can be easily handled in not only the atomic domain but also the continuum domain. Numerical ex les demonstrated that the present multiscale technique has a promising potential of application to multiscale systems subjected to deformation.
Publisher: World Scientific Pub Co Pte Lt
Date: 31-08-2016
DOI: 10.1142/S0219876216500262
Abstract: It is well known that a high-order point interpolation method (PIM) based on the standard Galerkin formations is not conforming, and thus the solution may not always be convergent. This paper proposes a new interesting technique called quasi-conforming point interpolation method (QC-PIM) for solving elasticity problems, by devising a novel scheme that smears the discontinuity. In the QC-PIM, the problem domain is first discretized by a set of background cells (typically triangles that can be automatically generated), and the average displacements on the interfaces of the two neighboring cells are assumed to be equal. We prove that when the size of background cells approaches to zero, all the additional potential energy coming from the discontinuous displacement field becomes zero, which ensures the pass of the standard patch test and hence the convergence. Numerical experiments verify that QC-PIM can produce the convergent solutions with higher accuracy and convergent rate that is in between fully conforming linear and quadratic models.
Publisher: Wiley
Date: 11-08-2022
Abstract: Two‐dimensional materials are excellent candidates for effective gas detection due to the large surface‐volume ratio, however the controllability to adsorb/desorb the gas molecules for recycling use is still a big challenge. In this study, different from previous strategies to modulate gas adsorption behavior via strain and external electric field, a novel approach to achieve gas adsorption control via ferroelectric (FE) switching is proposed. From first principle simulations, it is found that gas molecule adsorptions on Fe and Mn doped defective graphene can be well controlled when it is placed on the surface of FE In 2 Se 3 . The adsorption energies and charge transfer can be significantly modulated when the polarization is reversed, due to the polarization dependent electron redistribution and band state shifts near the Fermi level. The hypothesis of the FE controlled gas adsorption is further supported by the adsorption variations under the electric field. These findings provide feasible approaches and design principles for the next generation gas sensors.
Publisher: Springer Science and Business Media LLC
Date: 04-02-2016
Publisher: Springer Science and Business Media LLC
Date: 26-09-2016
DOI: 10.1038/SREP33810
Abstract: Pure graphene is known as the strongest material ever discovered. However, the unavoidable defect formation in the fabrication process renders the strength of defective graphene much lower (~14%) than that of its perfect counterpart. By means of density functional theory computations, we systematically explored the effect of gas molecules (H 2 , N 2 , NH 3 , CO, CO 2 and O 2 ) adsorption on the mechanical strength of perfect/defective graphene. The NH 3 molecule is found to play a dominant role in enhancing the strength of defective graphene by up to ~15.6%, while other gas molecules decrease the strength of graphene with varying degrees. The remarkable strength enhancement can be interpreted by the decomposition of NH 3 , which saturates the dangling bond and leads to charge redistribution at the defect site. The present work provides basic information for the mechanical failure of gas-adsorbed graphene and guidance for manufacturing graphene-based electromechanical devices.
Publisher: American Chemical Society (ACS)
Date: 26-01-2023
Publisher: AIP Publishing
Date: 13-01-2014
DOI: 10.1063/1.4862200
Abstract: The biosafety of carbon nanomaterial needs to be critically evaluated with both experimental and theoretical validations before extensive biomedical applications. In this Letter, we present an analysis of the binding ability of two-dimensional monolayer carbon nanomaterial on actin by molecular simulation to understand their adhesive characteristics on F-actin cytoskeleton. The modelling results indicate that the positively charged carbon nanomaterial has higher binding stability on actin. Compared to crystalline graphene, graphene oxide shows higher binding influence on actin when carrying positive surface charge. This theoretical investigation provides insights into the sensitivity of actin-related cellular activities on carbon nanomaterial.
Publisher: Elsevier BV
Date: 09-2016
Publisher: MDPI AG
Date: 09-12-2022
DOI: 10.3390/EN15249347
Abstract: Drying is a complex process of simultaneous heat, mass, and momentum transport phenomena with continuous phase changes. Numerical modelling is one of the most effective tools to mechanistically express the different physics of drying processes for accurately predicting the drying kinetics and understanding the morphological changes during drying. However, the mathematical modelling of drying processes is complex and computationally very expensive due to multiphysics and the multiscale nature of heat and mass transfer during drying. Physics-informed machine learning (PIML)-based modelling has the potential to overcome these drawbacks and could be an exciting new addition to drying research for describing drying processes by embedding fundamental transport laws and constraints in machine learning models. To develop such a novel PIML-based model for drying applications, it is necessary to have a fundamental understanding of heat, mass, and momentum transfer processes and their mathematical formulation of drying processes, in addition to data-driven modelling knowledge. Based on a comprehensive literature review, this paper presents two types of information: fundamental physics-based information about drying processes and data-driven modelling strategies to develop PIML-based models for drying applications. The current status of physics-based models and PIML-based models and their limitations are discussed. A s le PIML-based modelling framework for drying application is presented. Finally, the challenges of addressing simultaneous heat, mass, and momentum transport phenomena in PIML modelling for optimizing the drying process are presented at the end of this paper. It is expected that the information in this manuscript will be beneficial for further advancing the field.
Publisher: Springer Science and Business Media LLC
Date: 03-08-2023
Publisher: Elsevier BV
Date: 11-2017
Publisher: Elsevier BV
Date: 12-2013
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Funder: Australian Research Council
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