Self-assembly and complexity: networks and patterns from materials to markets. Self-assembly leads the formation of patterns without external directing agents. It is responsible for the growth of complex multiscale structures found in biology and materials science and is a crucial concept for development of viable nanotechnologies. Complex systems, from biological ecosystems to financial markets and the Internet, are also characterized by spontaneous clustering and linkages that determine their ....Self-assembly and complexity: networks and patterns from materials to markets. Self-assembly leads the formation of patterns without external directing agents. It is responsible for the growth of complex multiscale structures found in biology and materials science and is a crucial concept for development of viable nanotechnologies. Complex systems, from biological ecosystems to financial markets and the Internet, are also characterized by spontaneous clustering and linkages that determine their collective behaviour. The project will investigate in detail the geometry, topology, materials science and statistical physics of networks, leading to design and characterization of robust self-assembled materials and complex systems.Read moreRead less
Ab initio Theory in Complex Materials and Surfaces: Prediction and Design of Functional Structures. Using state-of-the-art first-principles theory, this project involves the study of complex materials and surfaces which are central to areas of high technological interest, namely, high temperature ferromagnetic semiconductor materials for spintronics, nitride-based structures for optoelectronic devices, nanocomposites for protective coatings, as well as heterogeneous oxidation catalysis. It wil ....Ab initio Theory in Complex Materials and Surfaces: Prediction and Design of Functional Structures. Using state-of-the-art first-principles theory, this project involves the study of complex materials and surfaces which are central to areas of high technological interest, namely, high temperature ferromagnetic semiconductor materials for spintronics, nitride-based structures for optoelectronic devices, nanocomposites for protective coatings, as well as heterogeneous oxidation catalysis. It will provide fundamental knowledge and understanding on the atomic level, and will facilitate the design and development of functional materials and surfaces of relevance to industry.Read moreRead less
Energy Conversion and Signal Transduction in Nanomechanical Systems. Miniaturization of materials and electronic devices is an important technological goal. In order to make smaller working devices,we need to understand how to create molecular scale devices such as valves, switches, pumps and motors. This Fellowship will explore ways to make smaller, portable devices that can be used for personal health monitoring,environmental sensing and the detection of disease and pathogens.
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
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
The First Chemically Accurate Tools in Theoretical Materials Research. Non-metallic materials are widely used in catalytic, separation and sensing applications. This project will create a new, accurate, general and systematic approach to the computational study of non-metallic materials and will provide an enormous step forward in our ability to design these materials for specific applications. With ever increasing demand, growing world population and shrinking natural resources, the benefits of ....The First Chemically Accurate Tools in Theoretical Materials Research. Non-metallic materials are widely used in catalytic, separation and sensing applications. This project will create a new, accurate, general and systematic approach to the computational study of non-metallic materials and will provide an enormous step forward in our ability to design these materials for specific applications. With ever increasing demand, growing world population and shrinking natural resources, the benefits of such rational materials design impact on the development of new, safer, more efficient, reusable materials in chemical, engineering, electronic and biological applications. Read moreRead less
Environmental stability of nanoscale materials for catalysis and sensing. After two decades of research, the first wave of 'nanotechnology' consumer products are entering the market, and large quantities of nanoparticles (less than millionth of a centimetre in size) are now being produced annually. However, before any new product can be manufactured, we need to know how stable engineered nanomaterials are before we bring them into our home, or we find them (unintentionally) free in our waterways ....Environmental stability of nanoscale materials for catalysis and sensing. After two decades of research, the first wave of 'nanotechnology' consumer products are entering the market, and large quantities of nanoparticles (less than millionth of a centimetre in size) are now being produced annually. However, before any new product can be manufactured, we need to know how stable engineered nanomaterials are before we bring them into our home, or we find them (unintentionally) free in our waterways and other ecosystems. For the first time, this project uses high performance supercomputing and advanced theoretical modelling to predict the stability of nanomaterials under a wide range of environmental conditions, to help safe guard Australia from potential 'nano-hazards' associated with these tiny pieces of matter.Read moreRead less
Nanotribology-The Chemical Rolling Resistance of Single Nanocrystals. Australian efforts in biosensors, environmental monitoring and mobile-health are predicated on the establishment of a nanotechnology based manufacturing sector. The key to this will be understanding how ultrasmall mechanical devices work. This application explores how we can make novel mechanical devices from molecules and small crystals.
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
THE STABILITY OF GLASS-FORMING ALLOYS: SIMULATION STUDIES. Many of the properties that make common glass so valuable as a material can also be achieved in amorphous metals. The 'trick' is to avoid crystallization as the molten state is cooled. Recently, novel combinations of metals have been found to slow down crystallization enough to produce stable amorphous alloys. Developing these new materials depends on an accurate atomic level understanding of how crystallization is frustrated in glass-fo ....THE STABILITY OF GLASS-FORMING ALLOYS: SIMULATION STUDIES. Many of the properties that make common glass so valuable as a material can also be achieved in amorphous metals. The 'trick' is to avoid crystallization as the molten state is cooled. Recently, novel combinations of metals have been found to slow down crystallization enough to produce stable amorphous alloys. Developing these new materials depends on an accurate atomic level understanding of how crystallization is frustrated in glass-forming alloys. This project's aim is to use computer simulations to provide the first microscopic picture of the atomic order that stabilzes the amorphous alloys with regards to both crystallization and mechanical stress.Read moreRead less