Learning to predict polymorphism through simulation of nucleation and nanoparticle evolution. Many substances are capable of exhibiting a myriad of different structures despite having the same composition. This behaviour can have a significant impact on the production of new pharmaceuticals, since the sudden appearance of a new form can lead to instant withdrawal of the drug. By understanding how different forms grow, rather than focusing on just the stability of the product, this research will ....Learning to predict polymorphism through simulation of nucleation and nanoparticle evolution. Many substances are capable of exhibiting a myriad of different structures despite having the same composition. This behaviour can have a significant impact on the production of new pharmaceuticals, since the sudden appearance of a new form can lead to instant withdrawal of the drug. By understanding how different forms grow, rather than focusing on just the stability of the product, this research will lead to more reliable prediction of how pharmaceutical molecules might assemble. The same technology will potentially have impacts in many areas of nanoscience through improvements in efficiency, including the production of minerals, desalination and undersea gas recovery.Read moreRead less
Unique Chemistry from Radioactive Decay in the Solid-State. Australia is an important member of the international nuclear fuel cycle. It holds one-third of the world's uranium reserves and is a major player in the development of technology for immobilizing radioactive waste. We will use computer simulation to answer a very important question which is extremely difficult to study experimentally: How does radioactive decay inside a solid change the chemistry of the material over time? Not only wil ....Unique Chemistry from Radioactive Decay in the Solid-State. Australia is an important member of the international nuclear fuel cycle. It holds one-third of the world's uranium reserves and is a major player in the development of technology for immobilizing radioactive waste. We will use computer simulation to answer a very important question which is extremely difficult to study experimentally: How does radioactive decay inside a solid change the chemistry of the material over time? Not only will our study improve nuclear waste storage, it will also reveal how in-situ chemical change creates new kinds of solids which cannot be made by conventional means. These solids can exhibit unusual and useful behaviour; this project provides the first investigation of this unexplored technological niche.Read moreRead less
Investigation of 1/f noise mechanisms in HgCdTe heterostructure IR photodiodes. Since the performance of any photon detector is defined by its signal to noise ratio, the reduction of noise generating mechanisms is equally important to improvement of the signal. In this project we propose to carry out, for the first time, a comprehensive analysis of noise generating mechanisms in HgCdTe detectors using recently developed, two-dimensional analysis procedure. The main objective of this project is t ....Investigation of 1/f noise mechanisms in HgCdTe heterostructure IR photodiodes. Since the performance of any photon detector is defined by its signal to noise ratio, the reduction of noise generating mechanisms is equally important to improvement of the signal. In this project we propose to carry out, for the first time, a comprehensive analysis of noise generating mechanisms in HgCdTe detectors using recently developed, two-dimensional analysis procedure. The main objective of this project is to prove that 1/f noise in HgCdTe photodetectors is caused by dark current fluctuations in the high electric field regions of the detector structure. The primary outcome of this work will be the first comprehensive two-dimensional device model that can predict 1/f noise in a semiconductor device.Read moreRead less
Special Research Initiatives - Grant ID: SR0354636
Funder
Australian Research Council
Funding Amount
$30,000.00
Summary
Australian Computational Molecular Science Network. Computational Molecular Science (CMS) involves the use of theory and computational methods to simulate and visualise molecular systems ranging from small atmospheric species to proteins, nucleic acids, chemical polymers and materials. It represents our most incisive expression of what we understand about the molecular basis of nature. The CMS network will integrate and cross-fertilize both fundamental and application-based expertize in molecula ....Australian Computational Molecular Science Network. Computational Molecular Science (CMS) involves the use of theory and computational methods to simulate and visualise molecular systems ranging from small atmospheric species to proteins, nucleic acids, chemical polymers and materials. It represents our most incisive expression of what we understand about the molecular basis of nature. The CMS network will integrate and cross-fertilize both fundamental and application-based expertize in molecular scale computations in the fields of nanoscience, biomaterials, biotechnology, biomedical science and environmental science. It will uncover and explore critical new interdisciplinary science and create new molecular-based paradigms that will drive advances in these fields over the next decade.Read moreRead less
Better Batteries via Controlling the Properties of Electrolytic Manganese Dioxide. Physical properties of electrolytic manganese dioxide (EMD) such as crystal structure, morphology and electrochemical characteristics determine its usefulness in alkaline batteries. However, the relationship between these parameters is not well understood. This APAI project will attempt to address these shortcomings in the current understanding of the production process by focussing on the relationships between fu ....Better Batteries via Controlling the Properties of Electrolytic Manganese Dioxide. Physical properties of electrolytic manganese dioxide (EMD) such as crystal structure, morphology and electrochemical characteristics determine its usefulness in alkaline batteries. However, the relationship between these parameters is not well understood. This APAI project will attempt to address these shortcomings in the current understanding of the production process by focussing on the relationships between fundamental physical, chemical and electrochemical properties of EMD. The results will be of benefit in optimising the process and ensuring that EMD with superior performance can be consistently produced.Read moreRead less