Modelling of multiscale systems in engineering and science supports large-scale equation-free simulations and analysis. 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) and with their environment. In current modeling, ranging from ecology to materials science, the underlying microscopic mechanisms are known, but the closures to translate microscale ....Modelling of multiscale systems in engineering and science supports large-scale equation-free simulations and analysis. 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) and with their environment. In current modeling, ranging from ecology to materials science, the underlying microscopic mechanisms are known, but the closures to translate microscale knowledge to a system level macroscopic description are rarely available in closed form. Our novel, equation free, computational methodologies will circumvent this stumbling block, and promises to radically change the modeling, exploration and understanding of complex system behavior. We continue to develop this powerful computational methodology. Read moreRead less
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0221983
Funder
Australian Research Council
Funding Amount
$900,000.00
Summary
Interface, Particle and Complex Fluid Characterisation Laboratory. This laboratory will provide a state-of-the-art characterisation facility for complex fluids. This will service the needs of 27 research staff and 38 postgraduate students and involve collaboration between twelve major research groups based at the Universities of Melbourne, Newcastle, Monash, La Trobe and RMIT. The facility will enhance the research activities of the collaborating institutions in key strategic areas. The laborat ....Interface, Particle and Complex Fluid Characterisation Laboratory. This laboratory will provide a state-of-the-art characterisation facility for complex fluids. This will service the needs of 27 research staff and 38 postgraduate students and involve collaboration between twelve major research groups based at the Universities of Melbourne, Newcastle, Monash, La Trobe and RMIT. The facility will enhance the research activities of the collaborating institutions in key strategic areas. The laboratory will also act as a facility for undertaking consulting projects with industry groups by the applicants.Read moreRead less
Zirconium alloying and grain refinement of magnesium alloys with ZirCAST. Zirconium alloying and grain refinement is a key issue restricting the commercial production of value-added zirconium-containing magnesium alloys for use in the automotive industry. This 3-year linkage program builds on the applicants' invention of a proprietary grain refiner ZirCAST, and is undertaken to investigate the major fundamental aspects of zirconium alloying and grain refinement with ZirCAST. In addition to an ex ....Zirconium alloying and grain refinement of magnesium alloys with ZirCAST. Zirconium alloying and grain refinement is a key issue restricting the commercial production of value-added zirconium-containing magnesium alloys for use in the automotive industry. This 3-year linkage program builds on the applicants' invention of a proprietary grain refiner ZirCAST, and is undertaken to investigate the major fundamental aspects of zirconium alloying and grain refinement with ZirCAST. In addition to an excellent postgraduate training environment, it aims to provide and develop, in partnership with industry, optimum zirconium alloying and grain refinement technology with ZirCAST and enhance Australia's leading global position in this strategically and commercially important area.Read moreRead less
Mobility of water in cartilage as a probe of molecular structure and function. Clinical diagnosis of early-stage osteoarthritis is difficult, and most patients are not diagnosed until a substantial degradation of cartilage has occurred as a result of the disease. This research will study the interaction between different components of articular cartilage and investigate, how this interaction can be exploited for the development of reliable and non-invasive techniques of cartilage imaging. Mobili ....Mobility of water in cartilage as a probe of molecular structure and function. Clinical diagnosis of early-stage osteoarthritis is difficult, and most patients are not diagnosed until a substantial degradation of cartilage has occurred as a result of the disease. This research will study the interaction between different components of articular cartilage and investigate, how this interaction can be exploited for the development of reliable and non-invasive techniques of cartilage imaging. Mobility of water molecules is a potent indicator of the microscopic structure of the cartilage scaffold. We will use this fundamental biophysical relationship to measure the internal architecture of collagen fibres; observe the changes effected by mechanical load; and distinguish between healthy and osteoarthritic cartilage.
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Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0346515
Funder
Australian Research Council
Funding Amount
$507,000.00
Summary
Fluorescence Detector for the Australian National Beamline Facility. X-ray absorption spectroscopy (XAS) is an extremely important synchrotron radiation tool for determining the local structure around an X-ray absorbing atom. This has many applications in the study of materials, minerals, metal complexes, and metalloproteins and can often be used to obtain information that is not available by other techniques, because structural information can be obtained in the solid or solution state and in ....Fluorescence Detector for the Australian National Beamline Facility. X-ray absorption spectroscopy (XAS) is an extremely important synchrotron radiation tool for determining the local structure around an X-ray absorbing atom. This has many applications in the study of materials, minerals, metal complexes, and metalloproteins and can often be used to obtain information that is not available by other techniques, because structural information can be obtained in the solid or solution state and in mixtures. The current proposal is aimed at introducing new technology into the Australian National Beamline Facility that will greatly improve the quality and quantity of experiments that can be performed and extend studies into dilute solutions and protein samples.Read moreRead less
Biomolecular optoelectronic materials and devices. The melanins are the molecules in our skin, eyes and hair that provide colour and protection from the sun. In addition to being important bio-molecules, they have properties which make them useful for high tech applications especially in electronics and optoelectronics. Unfortunately, our current understanding of these fascinating materials is poor. In our project we aim to solve this limiting problem. We will develop new science to explain thei ....Biomolecular optoelectronic materials and devices. The melanins are the molecules in our skin, eyes and hair that provide colour and protection from the sun. In addition to being important bio-molecules, they have properties which make them useful for high tech applications especially in electronics and optoelectronics. Unfortunately, our current understanding of these fascinating materials is poor. In our project we aim to solve this limiting problem. We will develop new science to explain their behaviour, and use this knowledge to create bio-compatible hi-tech materials and devices. We anticipate significant benefits from the perspectives of basic science and utilisation of biomaterials for new green technologies.Read moreRead less
From structures to systems: A hierachical approach to understanding sub-cellular components. This program will dramatically extend the range of biomolecular systems that can be modelled with near atomistic precision. It will provide a better understanding of the structure and function of proteins involved in the regulation of membrane fusion and fission as well as shedding light on the assembly of large-scale protein-protein and protein-membrane complexes in general. The work will help place Au ....From structures to systems: A hierachical approach to understanding sub-cellular components. This program will dramatically extend the range of biomolecular systems that can be modelled with near atomistic precision. It will provide a better understanding of the structure and function of proteins involved in the regulation of membrane fusion and fission as well as shedding light on the assembly of large-scale protein-protein and protein-membrane complexes in general. The work will help place Australia at the forefront of developing simulation techniques in biomolecular systems, which are widely used within the chemical and pharmaceutical industries for modelling processes ranging from protein-drug interactions to the phase behaviour of lipids and surfactants. Read moreRead less
Increasing the Efficiency of Biomolecular Simulations. This program will extend the range of biomolecular systems that can be modelled with near atomistic precision. It will provide a better understanding of the structure and function of proteins involved in the regulation of membrane fusion and fission as well as shedding light on the assembly of large-scale protein-protein and protein-membrane complexes in general. The work will help place Australia at the forefront of developing simulation t ....Increasing the Efficiency of Biomolecular Simulations. This program will extend the range of biomolecular systems that can be modelled with near atomistic precision. It will provide a better understanding of the structure and function of proteins involved in the regulation of membrane fusion and fission as well as shedding light on the assembly of large-scale protein-protein and protein-membrane complexes in general. The work will help place Australia at the forefront of developing simulation techniques in biomolecular systems, which are widely used within the chemical and pharmaceutical industries. It will also provide opportunities for the training and development of young Australian researchers with top European laboratories. Read moreRead less
Sensing single electrons with single molecules. The focus of this project is on optical detection of single electron transport in solids and in large/bio molecules. Successful experimental demonstration of the proposed technique will considerably enhance Australia's standing in high profile areas of natural sciences. In practical terms, it can contribute to development of new generation solar cells, artificial photosynthetic centres, and a new generation of nanoprobes for biomedical application ....Sensing single electrons with single molecules. The focus of this project is on optical detection of single electron transport in solids and in large/bio molecules. Successful experimental demonstration of the proposed technique will considerably enhance Australia's standing in high profile areas of natural sciences. In practical terms, it can contribute to development of new generation solar cells, artificial photosynthetic centres, and a new generation of nanoprobes for biomedical applications. Because the single-molecule technique is a new and dynamic field, opportunities exist for significant commercial property development. The project will also train a number of students in several fields of high technology, all of which are likely to have high demand in the future.Read moreRead less
Bimolecular chemistry at very low temperatures. Many chemical reactions involve short-lived and highly reactive intermediates that cannot be observed under ordinary reaction conditions. Hence, much of this chemistry is shrouded in mystery. This project aims to develop the ability to observe and monitor such reactions directly using a combination of spectroscopies at very low temperatures, where the molecules are more stable and reactions slower. These studies will give quantitative information ....Bimolecular chemistry at very low temperatures. Many chemical reactions involve short-lived and highly reactive intermediates that cannot be observed under ordinary reaction conditions. Hence, much of this chemistry is shrouded in mystery. This project aims to develop the ability to observe and monitor such reactions directly using a combination of spectroscopies at very low temperatures, where the molecules are more stable and reactions slower. These studies will give quantitative information on the nature of the reactive intermediates themselves, the nature of the products formed, and the reaction dynamics, and they are of fundamental importance for an understanding of chemical reactivity generally. The methodology developed will be applicable to the investigation of a wide range of processes.Read moreRead less