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
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.
Gas Phase Studies to Catalyze a Better Understanding of Metal Reactivity. The proposed research will increase knowledge of fundamental questions related to the mechanisms of catalysis and metal ion reactivity. The insights gained will be an important addition to the knowledge base of our culture, both nationally and in the wider international context. We note that research into the behaviour and design of catalysts is a burgeoning field which reflects the great importance of this area in the int ....Gas Phase Studies to Catalyze a Better Understanding of Metal Reactivity. The proposed research will increase knowledge of fundamental questions related to the mechanisms of catalysis and metal ion reactivity. The insights gained will be an important addition to the knowledge base of our culture, both nationally and in the wider international context. We note that research into the behaviour and design of catalysts is a burgeoning field which reflects the great importance of this area in the international scientific community. Our proposal will add to fundamental knowledge and may also result in practical applications. More importantly, we will train and equip talented young people with a spectrum of skills which will make them well placed to meet the demand for highly skilled professional scientists.Read moreRead less
Controlled Supramolecular Assembly in Aqueous Molecular and Macroscopic Systems. This project uses benign and mainly bio-degradable materials to produce hydrogels which are remarkable new materials containing at least ninety-eight percent water which may be made into films. Similar films are proving to be valuable in covering wounds, particularly serious burns, and in greatly improving wound healing and tissue growth. They may also be useful in new coating and aircraft de-icing technologies. The ....Controlled Supramolecular Assembly in Aqueous Molecular and Macroscopic Systems. This project uses benign and mainly bio-degradable materials to produce hydrogels which are remarkable new materials containing at least ninety-eight percent water which may be made into films. Similar films are proving to be valuable in covering wounds, particularly serious burns, and in greatly improving wound healing and tissue growth. They may also be useful in new coating and aircraft de-icing technologies. These environmentally friendly materials are likely to find a multitude of uses as their development progresses. Young Australians involved in the project will gain experience in cutting edge science, its practical applications, and in international collaboration - a training essential to Australia's future prosperity.Read moreRead less
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0346733
Funder
Australian Research Council
Funding Amount
$399,466.00
Summary
Ultra-Sensitive CCD Diffractometer with High Intensity X-ray Photon Generator. X-ray photon diffraction from single crystals provides the most accurate, precise and detailed three dimensional chemical structure information. It is however often difficult to obtain crystals of complex chemical assemblies, such as those used in nanotechnology and photon technology, suitable for diffraction analysis using equipment currently available at Australian chemical crystal structure facilities. The collab ....Ultra-Sensitive CCD Diffractometer with High Intensity X-ray Photon Generator. X-ray photon diffraction from single crystals provides the most accurate, precise and detailed three dimensional chemical structure information. It is however often difficult to obtain crystals of complex chemical assemblies, such as those used in nanotechnology and photon technology, suitable for diffraction analysis using equipment currently available at Australian chemical crystal structure facilities. The collaborating institutions seek to overcome this problem by purchasing a high sensitivity CCD area detector coupled to an intense laboratory source of X-ray photons. The installation of the equipment would be the first of its kind at an Australian facility and only the fourth worldwide.Read moreRead less
Anion Binding and Sensing With Self-Assembled Metallo-Supramolecular Assemblies. Anions are of particular significance in several areas relating to the day-to-day lives of Australians; for example as contaminants in waterways and nuclear waste streams, as indicators of chemical weapons, and as antagonists in biological systems. The proposed research programme will investigate a relatively unexplored approach to binding and sensing anions. This will further research in the area of supramolecular ....Anion Binding and Sensing With Self-Assembled Metallo-Supramolecular Assemblies. Anions are of particular significance in several areas relating to the day-to-day lives of Australians; for example as contaminants in waterways and nuclear waste streams, as indicators of chemical weapons, and as antagonists in biological systems. The proposed research programme will investigate a relatively unexplored approach to binding and sensing anions. This will further research in the area of supramolecular chemistry, providing additional research expertise in this rapidly progressing area of the chemical sciences. In terms of Breakthrough science the targeted assemblies will shed further light on self-assembly processes involving ligands with different domains, placing Australian research at the forefront of such investigations.Read moreRead less