Multiscale modelling of systems with complex microscale detail. In modern science and engineering many complex systems are described by distinctly different microscale physical models within different regions of space. This project is to develop systematic mathematical and computational methods for the compact and accurate macroscale modelling and computation of such systems for application in industrial research and development. Our sparse simulations, justified with mathematical analysis, use ....Multiscale modelling of systems with complex microscale detail. In modern science and engineering many complex systems are described by distinctly different microscale physical models within different regions of space. This project is to develop systematic mathematical and computational methods for the compact and accurate macroscale modelling and computation of such systems for application in industrial research and development. Our sparse simulations, justified with mathematical analysis, use small bursts of particle/agent simulations, PDEs, or difference equations, to efficiently evaluate macroscale system-level behaviour. The objective is to accurately interface between disparate microscale models and establish provable predictions on how the microscale parameter spaces resolve at the macroscale.Read moreRead less
Multiscale modelling of systems with complex microscale detail. This project aims to develop systematic mathematical and computational methods for the compact and accurate macroscale modelling of systems with microscopic irregular details. The methodology, justified with mathematical analysis and computation, uses small bursts of particle/agent simulations, partial differential equation (PDEs), or difference equations, to efficiently predict macroscale behaviour. This project’s mathematical meth ....Multiscale modelling of systems with complex microscale detail. This project aims to develop systematic mathematical and computational methods for the compact and accurate macroscale modelling of systems with microscopic irregular details. The methodology, justified with mathematical analysis and computation, uses small bursts of particle/agent simulations, partial differential equation (PDEs), or difference equations, to efficiently predict macroscale behaviour. This project’s mathematical methodology aims to efficiently and accurately extract and simulate the collective dynamics which emerge on macroscales, leading to improved prediction and understanding of the significant features of these complex systems at the scale relevant to engineers and scientists.Read moreRead less
Integrating rifts and swell in the mathematics of ice shelf disintegration. Antarctic ice-shelf disintegrations have the alarming potential to cause rapid sea level rise, through accelerated discharge of the Antarctic Ice Sheet and initiating runaway Ice Sheet destabilisations. The project aims to develop a mathematical model of swell-induced ice-shelf vibrations in a coupled ocean–shelf 3D framework, focusing on interactions between vibrations and the rift networks that characterise outer shelf ....Integrating rifts and swell in the mathematics of ice shelf disintegration. Antarctic ice-shelf disintegrations have the alarming potential to cause rapid sea level rise, through accelerated discharge of the Antarctic Ice Sheet and initiating runaway Ice Sheet destabilisations. The project aims to develop a mathematical model of swell-induced ice-shelf vibrations in a coupled ocean–shelf 3D framework, focusing on interactions between vibrations and the rift networks that characterise outer shelf margins before disintegration. Accurate, efficient solutions will be developed by fusing powerful approximation theories, and validated by numerical solutions. The model will be combined with state-of-the-art data to predict trends in Antarctica’s remaining ice shelves and indicate potential future disintegrations.Read moreRead less
Modeling, Mathematical Analysis, and Computation of Multiscale Systems. This project develops and implements a systematic approach, both analytic and computational, to extract compact, accurate, system level models of complex physical and engineering systems. Our wide ranging methodology is to construct computationally efficient "wrappers" around fine scale, microscopic, detailed descriptions of dynamical systems (particle or molecular simulation, or PDE or lattice equations). Comprehensively a ....Modeling, Mathematical Analysis, and Computation of Multiscale Systems. This project develops and implements a systematic approach, both analytic and computational, to extract compact, accurate, system level models of complex physical and engineering systems. Our wide ranging methodology is to construct computationally efficient "wrappers" around fine scale, microscopic, detailed descriptions of dynamical systems (particle or molecular simulation, or PDE or lattice equations). Comprehensively accounting for multiscale interactions between subgrid processes among macroscale variations ensures stability and accuracy. Based on dynamical systems theory and analysis, our approach will empower systematic analysis and understanding for optimal macroscopic simulation for forthcoming exascale computing. Read moreRead less
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE100100197
Funder
Australian Research Council
Funding Amount
$200,000.00
Summary
National magnetochemical facility. New magnetic materials of the molecular or biological types are quite different to traditional metal oxide magnets widely used, for example, in recording devices. They are very important from the perspective of understanding fundamental properties at low temperatures, in high magnetic fields, or when irradiated by light, but they are also showing promise in a range of applications, such as memory devices and smart cards and in the new area of spintronics and m ....National magnetochemical facility. New magnetic materials of the molecular or biological types are quite different to traditional metal oxide magnets widely used, for example, in recording devices. They are very important from the perspective of understanding fundamental properties at low temperatures, in high magnetic fields, or when irradiated by light, but they are also showing promise in a range of applications, such as memory devices and smart cards and in the new area of spintronics and molecular computers. The magnetochemical projects described here, that require the new equipment being sought, are fundamental in nature but will provide the underpinning of future nanomagnetic materials.Read moreRead less
Electronic and Optical Properties of Doped Titanium Dioxide. Titanium dioxide, is widely used as a white pigment, owing to its high refractive index, second, only after diamond. Yellowing of rutile pigment particles, observed on prolonged exposure to sunlight, is a serious problem that pigment manufacturers would like to overcome. It is proposed that aluminium-doping of rutile limits this discolouration by altering the electronic structure of the rutile particles. This project seeks to identify ....Electronic and Optical Properties of Doped Titanium Dioxide. Titanium dioxide, is widely used as a white pigment, owing to its high refractive index, second, only after diamond. Yellowing of rutile pigment particles, observed on prolonged exposure to sunlight, is a serious problem that pigment manufacturers would like to overcome. It is proposed that aluminium-doping of rutile limits this discolouration by altering the electronic structure of the rutile particles. This project seeks to identify the specific electronic cause of the yellowing process, the nature of the Al defect,it's effect on the electronic structure of rutile, and the electronic perturbations that may occur when other dopants are used.Read moreRead less
Gas Phase Reactivity of Charged Peptide and DNA Radicals: Fundamentals and Applications. Radicals derived from the "molecules of life", proteins and DNA, play both beneficial (e.g. enzyme catalysis) and deleterious roles (e.g. protein and DNA damage associated with disease). Two electrospray ionisation mass spectrometry approaches have been discovered to generate charged radicals of related models systems (e.g. peptides and nucleobases). The gas phase chemistry of these species is a largely unch ....Gas Phase Reactivity of Charged Peptide and DNA Radicals: Fundamentals and Applications. Radicals derived from the "molecules of life", proteins and DNA, play both beneficial (e.g. enzyme catalysis) and deleterious roles (e.g. protein and DNA damage associated with disease). Two electrospray ionisation mass spectrometry approaches have been discovered to generate charged radicals of related models systems (e.g. peptides and nucleobases). The gas phase chemistry of these species is a largely unchartered area! We will examine the fundamental chemistry (unimolecular and bimolecular reactions) of these systems and build upon some exciting preliminary results which suggest potential applications (e.g. as a proteomics tool to sequence and distinguish between leucine and isoleucine residues in peptides).Read moreRead less
Shining the light on geometry of microstructured optical fibres. A fast, powerful computer code using new mathematical models and techniques will be produced and experimentally validated, for use in development of novel microstructured optical fibres for telecommunications and other applications. This code will reduce the time-consuming and expensive experimental iteration needed for development of these fibres.
Mathematics the key to modern glass and polymer fibre technology. This project aims to develop fully coupled flow and energy models to determine the preform structure and fibre-drawing parameters needed to fabricate a desired microstructured optical fibre by stretching of the preform to a fibre. It will focus on polymer to develop a non-Newtonian flow model, which can handle the subset of Newtonian glass fibre drawing. It will develop fast, powerful three-dimensional predictive tools to solve th ....Mathematics the key to modern glass and polymer fibre technology. This project aims to develop fully coupled flow and energy models to determine the preform structure and fibre-drawing parameters needed to fabricate a desired microstructured optical fibre by stretching of the preform to a fibre. It will focus on polymer to develop a non-Newtonian flow model, which can handle the subset of Newtonian glass fibre drawing. It will develop fast, powerful three-dimensional predictive tools to solve the models and experimentally validate solutions. This work will direct future design of microstructured optical fibres to empower next-generation optical-fibre technologies. Expected outcomes are fibre designs for telecommunications, medicine, biotechnology, sensing and imaging.Read moreRead less