Use of Interval Arithmetic and GRID Computing in Computational Molecular Science: Bounding Errors and Locating Global Minima. Catastrophic failure of the Ariane 5 rocket in 1996 and the inability of Patriot missile systems to reach their targets during the 1991 Gulf war were both attributed to numerical computing errors. Less dramatic, but in a similar vein, this project aims to study the numerical stability of contemporary computational molecular science applications. The focus will be on linea ....Use of Interval Arithmetic and GRID Computing in Computational Molecular Science: Bounding Errors and Locating Global Minima. Catastrophic failure of the Ariane 5 rocket in 1996 and the inability of Patriot missile systems to reach their targets during the 1991 Gulf war were both attributed to numerical computing errors. Less dramatic, but in a similar vein, this project aims to study the numerical stability of contemporary computational molecular science applications. The focus will be on linear scaling electronic structure codes, methods that are critical to the study of nano- and bio-materials, and are therefore of great importance to our economic future and medical well being. The project will build expertise within Australia in the area of interval arithmetic, an area that is currently poorly represented.Read moreRead less
GEOMETRIC NUMERICAL INTEGRATION. Many scientific phenomena in physics, astronomy, and chemistry, are modelled by ordinary differential equations (ODEs). Often these equations have no solution in closed form, and one relies on numerical integration. Traditionally this is done using Runge-Kutta methods or linear multistep methods. In the last decade, however, we (and others) have discovered novel classes of so-called "geometric" numerical integration methods that preserve qualititative featur ....GEOMETRIC NUMERICAL INTEGRATION. Many scientific phenomena in physics, astronomy, and chemistry, are modelled by ordinary differential equations (ODEs). Often these equations have no solution in closed form, and one relies on numerical integration. Traditionally this is done using Runge-Kutta methods or linear multistep methods. In the last decade, however, we (and others) have discovered novel classes of so-called "geometric" numerical integration methods that preserve qualititative features of certain ODE's exactly (in contrast to traditional methods), leading to crucial stability improvements. Extending concepts from dynamical systems theory and traditional numerical ODEs, this project will improve, extend and systematize this new field of geometric integration.Read moreRead less
Lifting the curse of dimensionality - bringing together the quasi Monte Carlo and sparse grid methods. This project is expected to lead to improved methods for handling high-dimensional problems (i.e. problems with many variables) that arise in finance, statistics, commerce, physics, and many other fields. In turn this could lead to significant economic benefit, especially to high-value service industries such as the finance industry. By strengthening international collaboration, it will also ....Lifting the curse of dimensionality - bringing together the quasi Monte Carlo and sparse grid methods. This project is expected to lead to improved methods for handling high-dimensional problems (i.e. problems with many variables) that arise in finance, statistics, commerce, physics, and many other fields. In turn this could lead to significant economic benefit, especially to high-value service industries such as the finance industry. By strengthening international collaboration, it will also help to maintain Australia's strong position in international research in the mathematical sciences.Read moreRead less
THE DEVELOPMENT OF MECHANISTIC MODELS FOR BUBBLY FLOWS WITH HEAT AND MASS TRANSFER. Commercially available CFD computer codes are currently widely used in many Australian industrial sectors. It is clearly recognised that the state-of-the-art models for dealing with complex bubbly flows with/without heat and mass transfer in these computer codes require further developments and improvements. This research project will address the prevalent deficiency in many of these computer codes. It is antici ....THE DEVELOPMENT OF MECHANISTIC MODELS FOR BUBBLY FLOWS WITH HEAT AND MASS TRANSFER. Commercially available CFD computer codes are currently widely used in many Australian industrial sectors. It is clearly recognised that the state-of-the-art models for dealing with complex bubbly flows with/without heat and mass transfer in these computer codes require further developments and improvements. This research project will address the prevalent deficiency in many of these computer codes. It is anticipated that through this major development of new models capable of predicting a wide range of industrial bubbly flow problems and implementation thereafter in these computer codes, industries will experience significant benefits especially reduce time and costs in their design and production.Read moreRead less
Experimental and Numerical Modelling of Gas-Liquid Flows. Multiphase flow systems are encountered in many process industries such as chemical, petroleum, mining, energy, food and pharmaceutical, which are fundamental to the Australian economy. Commercially available computer codes for simulating such systems are currently widely used in many Australian industrial sectors. This research project will address the prevalent deficiency in many of these computer codes and develop new models capable of ....Experimental and Numerical Modelling of Gas-Liquid Flows. Multiphase flow systems are encountered in many process industries such as chemical, petroleum, mining, energy, food and pharmaceutical, which are fundamental to the Australian economy. Commercially available computer codes for simulating such systems are currently widely used in many Australian industrial sectors. This research project will address the prevalent deficiency in many of these computer codes and develop new models capable of predicting a wide range of industrial bubbly flow problems. The resultant improved computer codes will provide industries with significant benefits - especially reduced times and costs in their design and production.Read moreRead less
An Advanced Numerical Technique for Stability Analysis of Mining Excavations in Jointed/Faulted Rock Masses under High Stresses. The aim of this project is to develop a sophisticated mathematical model and computational technique for the stability analysis of mining excavations in jointed/faulted rock masses. The development involves a novel solution method based on current work in finite element method, boundary element method and large-scale optimisation with partial differential equation cons ....An Advanced Numerical Technique for Stability Analysis of Mining Excavations in Jointed/Faulted Rock Masses under High Stresses. The aim of this project is to develop a sophisticated mathematical model and computational technique for the stability analysis of mining excavations in jointed/faulted rock masses. The development involves a novel solution method based on current work in finite element method, boundary element method and large-scale optimisation with partial differential equation constraints. The work is extremely important to the mining industry in Australia, as the outcomes of the project will provide engineers with an innovative simulation technique to optimise mine design and to predict and control rock failure so as to reduce personnel injuries and death toll in mine sites.Read moreRead less
Innovations in spherical approximation - construction, analysis and applications. The motivating problems for this project come from geophysics, including climate, weather forecasting, planetary gravitation and magnetism, and from coding theory and molecular chemistry. National benefit is expected to arise both from an improved ability to handle problems of key economic importance, and from an enhanced position in the international scientific world, through public presentation in leading journa ....Innovations in spherical approximation - construction, analysis and applications. The motivating problems for this project come from geophysics, including climate, weather forecasting, planetary gravitation and magnetism, and from coding theory and molecular chemistry. National benefit is expected to arise both from an improved ability to handle problems of key economic importance, and from an enhanced position in the international scientific world, through public presentation in leading journals and international conferences, and from direct collaboration with internationally leading scientists from USA, UK and Germany. The project will also increase the pool of trained mathematicians with expertise in areas important for applications.
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Computational Schemes for Initial-Boundary Value Problems. Many physical phenomena can be modelled as initial-boundary value problems described by partial differential equations. Simulations of such models require efficient and robust computational algorithms. The main aim of this project is to propose numerical algorithms for two dimensional spatial problems and three dimensional time-space models. A major focus of the project is to investigate methods that require about half the computation ....Computational Schemes for Initial-Boundary Value Problems. Many physical phenomena can be modelled as initial-boundary value problems described by partial differential equations. Simulations of such models require efficient and robust computational algorithms. The main aim of this project is to propose numerical algorithms for two dimensional spatial problems and three dimensional time-space models. A major focus of the project is to investigate methods that require about half the computational resources over celebrated schemes for solving boundary value problems.Read moreRead less
NUMERICAL MODELS OF PLATE TECTONICS, MANTLE CONVECTION AND SLAB DYNAMICS WITH EVOLVING FAULTS. We plan to develop a method for simulating large-scale
geological structures with a much improved treatment
of tectonic faults in 3D.
Current computer models have sharp geological faults at plate
boundaries represented by broad, blurred zones. New techniques
for modeling cracks in engineering structures will be scaled up to
the whole Earth.
This will help us to understand how the Earth's p ....NUMERICAL MODELS OF PLATE TECTONICS, MANTLE CONVECTION AND SLAB DYNAMICS WITH EVOLVING FAULTS. We plan to develop a method for simulating large-scale
geological structures with a much improved treatment
of tectonic faults in 3D.
Current computer models have sharp geological faults at plate
boundaries represented by broad, blurred zones. New techniques
for modeling cracks in engineering structures will be scaled up to
the whole Earth.
This will help us to understand how the Earth's plates move and
interact now and in the past and how the structure of the continents
arose.
Not only is this intrinsically interesting, it
will also be of immediate practical benefit to geological modelers.Read moreRead less
Effective and accurate model dynamics, deterministic and stochastic, across multiple space and time scales. A persistent feature of complex systems in engineering and science is the emergence of macroscopic, coarse grained, coherent behaviour from the interactions of microscopic agents (molecules, cells, grains) and with their environment. In current modeling, ranging from ecology to materials science, the underlying microscopic mechanisms are often known, but the closures to translate microscal ....Effective and accurate model dynamics, deterministic and stochastic, across multiple space and time scales. A persistent feature of complex systems in engineering and science is the emergence of macroscopic, coarse grained, coherent behaviour from the interactions of microscopic agents (molecules, cells, grains) and with their environment. In current modeling, ranging from ecology to materials science, the underlying microscopic mechanisms are often known, but the closures to translate microscale knowledge to a system level macroscopic description are rarely available in closed form. Our novel methodology will explore this stumbling block, and promises to radically change the modeling, exploration and understanding of multiscale complex system behaviour.Read moreRead less