Advances in Theoretical Methodologies in Surface and Materials Science. This collaborative project is concerned with the review, development, and advancement of modern theoretical methodologies and approaches for the study and description of phenomena in materials and surface science. The particular focus is on first-principles-based schemes which combine accurate electronic structure calculations with more phenomenological, analytical, or statistical mechanical schemes in order to describe long ....Advances in Theoretical Methodologies in Surface and Materials Science. This collaborative project is concerned with the review, development, and advancement of modern theoretical methodologies and approaches for the study and description of phenomena in materials and surface science. The particular focus is on first-principles-based schemes which combine accurate electronic structure calculations with more phenomenological, analytical, or statistical mechanical schemes in order to describe long time and length scales, and/or to include thermodynamic effects. The theories will be applied to a range of surface and interface phenomenon, e.g., chemical reactions, quantum dots, crystal growth, as well as defects in solids, to demonstrate the power of such methods.Read moreRead less
ARC Centre of Excellence in Exciton Science. This Centre aims to manipulate the way light energy is absorbed, transported and transformed in advanced molecular materials. The research programme spans high-throughput computational screening, single molecule photochemistry and ultrafast spectroscopy and embraces innovative outreach and commercial translation activities. The Centre plans to capture the knowledge generated as new intellectual property, materials processing know-how, and through the ....ARC Centre of Excellence in Exciton Science. This Centre aims to manipulate the way light energy is absorbed, transported and transformed in advanced molecular materials. The research programme spans high-throughput computational screening, single molecule photochemistry and ultrafast spectroscopy and embraces innovative outreach and commercial translation activities. The Centre plans to capture the knowledge generated as new intellectual property, materials processing know-how, and through the creation of new employment opportunities. The expected outcomes and benefits include new Australian technologies in solar energy conversion, energy-efficient lighting and displays, security labelling and optical sensor platforms for defence.Read moreRead less
Non-equilibrium material phases. This project aims to synthesise and characterise exotic materials produced in the laboratory under conditions that replicate those inside planets and stars. Highly non-equilibrium processing methods are needed to find entirely new material forms of elements and compounds created under extreme pressure and temperature. The project will use its laser-based synthesis method to explore and understand the non-equilibrium pathways and develop new materials. Understandi ....Non-equilibrium material phases. This project aims to synthesise and characterise exotic materials produced in the laboratory under conditions that replicate those inside planets and stars. Highly non-equilibrium processing methods are needed to find entirely new material forms of elements and compounds created under extreme pressure and temperature. The project will use its laser-based synthesis method to explore and understand the non-equilibrium pathways and develop new materials. Understanding how these materials form could lead to the next materials revolution. This research will lead to materials that industry sectors can exploit for commercial benefits.Read moreRead less
Atomistic Mechanisms of Stress Relaxation in Amorphous Materials. Amorphous materials represent a major thrust in the search for new materials. Metallic glasses have very high strength and can be cast to much finer tolerances than regular (polycrystalline) metals. Ceramic glasses are finding increasing applications in data storage, photoelectronics and fibre optics. The greatest obstacle to the application of amorphous solids is their brittleness. The goal of this project is to use accurate comp ....Atomistic Mechanisms of Stress Relaxation in Amorphous Materials. Amorphous materials represent a major thrust in the search for new materials. Metallic glasses have very high strength and can be cast to much finer tolerances than regular (polycrystalline) metals. Ceramic glasses are finding increasing applications in data storage, photoelectronics and fibre optics. The greatest obstacle to the application of amorphous solids is their brittleness. The goal of this project is to use accurate computer simulations to provide detailed pictures of how atomic motions relax stress in very different types of glasses and, through this insight, explore ways of modifying the mechanical properties of these materials.Read moreRead less
Fluctuation Effects in Non-Crystallising Liquids. Understanding the behaviour of liquids colder than their freezing temperature is important in areas as diverse as metal alloy preparation, prevention of cell damage in plants and animals at low temperatures, extending the working temperature range of new high voltage automotive batteries and controlling drug delivery in pharmaceuticals. Advances in these areas would represent important new manufacturing opportunities in industries already establi ....Fluctuation Effects in Non-Crystallising Liquids. Understanding the behaviour of liquids colder than their freezing temperature is important in areas as diverse as metal alloy preparation, prevention of cell damage in plants and animals at low temperatures, extending the working temperature range of new high voltage automotive batteries and controlling drug delivery in pharmaceuticals. Advances in these areas would represent important new manufacturing opportunities in industries already established in Australia. In this project the fundamental physical chemistry of supercooled liquids is developed and applied to a number of these technological challenges.Read moreRead less
Polymer Globules: Beyond the Homopolymer Model. Polymers are long chainlike molecules which play a crucial role in many aspects of our lives. As plastics they represent the most versatile and ubiquitous of man-made materials. Moreover, all living things depend on polymers for the structure of their cells and for the inheritance and function through DNA and proteins. Despite their importance our understanding of polymers is rather limited. The research funded by this proposal will enable us to ....Polymer Globules: Beyond the Homopolymer Model. Polymers are long chainlike molecules which play a crucial role in many aspects of our lives. As plastics they represent the most versatile and ubiquitous of man-made materials. Moreover, all living things depend on polymers for the structure of their cells and for the inheritance and function through DNA and proteins. Despite their importance our understanding of polymers is rather limited. The research funded by this proposal will enable us to understand more complicated kinds of polymers. This will help uncover some fascinating physics and in the long term develop new materials and promote new advances in biology. Read moreRead less
Macromolecular Condensates: From Globules to Toroids and Beyond. Polymers are long-chain molecules which are vital for all living things. Examples include proteins and DNA which carries all of the information needed for life. In the cell and in the laboratory these polymers are often found in a compact folded state. Current polymer science is good at describing very flexible polymers, but fails to describe most biological polymers which have backbones that are difficult to bend. Our aim is to ....Macromolecular Condensates: From Globules to Toroids and Beyond. Polymers are long-chain molecules which are vital for all living things. Examples include proteins and DNA which carries all of the information needed for life. In the cell and in the laboratory these polymers are often found in a compact folded state. Current polymer science is good at describing very flexible polymers, but fails to describe most biological polymers which have backbones that are difficult to bend. Our aim is to describe the folded or globular state for many kinds of biological polymers and thus improve our understanding of the role of polymers in living things.Read moreRead less
Self-assembled polyphiles: molecular nanopatterns. 21st century technology is certain to rely on advanced materials, utterly new in character, function and manufacturing process. Control of material structure, from the atomic and molecular scales and upward will be a central focus, to engineer specific features from electronic or photonic functionality, to chemical selectivity. The manufacturing principle of biological materials, made routinely in vivo with exquisite economy and control at all l ....Self-assembled polyphiles: molecular nanopatterns. 21st century technology is certain to rely on advanced materials, utterly new in character, function and manufacturing process. Control of material structure, from the atomic and molecular scales and upward will be a central focus, to engineer specific features from electronic or photonic functionality, to chemical selectivity. The manufacturing principle of biological materials, made routinely in vivo with exquisite economy and control at all length scales, will be adopted for materials design. The route to these materials is self-assembly. We will explore in detail theory and practical manufacture of self-assembled nanostructured materials, building molecular honeycombs combining composite material features at the nanoscale.Read moreRead less
Quantum dot-sensitised solar cells: can efficiency beyond the Shockley-Queisser limit be achieved? The project will address key barriers to broader commercialisation of cost-effective titania-based solar cells by utilising novel physics of semiconductor quantum dot materials used as a sensitiser. The research outcomes will answer key questions about the ultimate efficiency of these cells, and help transform the Australian PV industry.