Accurate gas-surface chemistry from first principles. Many aspects of gas-surface chemistry remain unexplained, despite around 90% of industrial chemical production relying on heterogeneous catalysis. A major problem is that common simulation methods used to study gas-surface chemistry do not adequately incorporate the effect of the motion of the atoms in the solid catalyst surface, preventing accurate study of surface temperature and vibrational energy transfer effects. This project aims to de ....Accurate gas-surface chemistry from first principles. Many aspects of gas-surface chemistry remain unexplained, despite around 90% of industrial chemical production relying on heterogeneous catalysis. A major problem is that common simulation methods used to study gas-surface chemistry do not adequately incorporate the effect of the motion of the atoms in the solid catalyst surface, preventing accurate study of surface temperature and vibrational energy transfer effects. This project aims to develop methods to incorporate surface atom motion in realistic atomistic simulations of gas-surface interactions. The unexplained physics and chemistry of industrially-important catalysis will be investigated. A better understanding of the physics and chemistry of molecules reacting on catalytic surfaces has the potential to allow for improved industrial production, new functional coatings on materials and, for example, enhanced engineering of corrosion resistance.Read moreRead less
Exploitation of unusual patterns of reactivity of peptides towards radicals. Life depends on free radical reactions of peptides and proteins but, for these compounds to exist, these must be inherently resistant to radicals. This project aims to combine state-of-the-art experiment and theoretical computations to build a detailed picture of peptide and protein radical reactivity, in order to explain this paradox and resolve ambiguities regarding processes through which radical damage to peptides o ....Exploitation of unusual patterns of reactivity of peptides towards radicals. Life depends on free radical reactions of peptides and proteins but, for these compounds to exist, these must be inherently resistant to radicals. This project aims to combine state-of-the-art experiment and theoretical computations to build a detailed picture of peptide and protein radical reactivity, in order to explain this paradox and resolve ambiguities regarding processes through which radical damage to peptides occurs and is repaired. The project also aims to critically evaluate the basic concept of the fidelity of amino acid incorporation during protein biosynthesis. The results of this project could underpin the development of new strategies and therapeutics to treat human diseases, and new materials and synthetic methods to increase the utility of peptides in biotechnology.Read moreRead less
Accurate and fast quantum simulation to predict chemistry. Quantum mechanical simulation is the most accurate tool available for predicting and understanding chemical reactions. Traditional techniques for performing quantum mechanical simulations of molecular collisions and reactions cannot be applied to more than five or six atoms, meaning that it is not possible to study most chemical reactions in full detail. In this project a new technique for performing these accurate simulations, recently ....Accurate and fast quantum simulation to predict chemistry. Quantum mechanical simulation is the most accurate tool available for predicting and understanding chemical reactions. Traditional techniques for performing quantum mechanical simulations of molecular collisions and reactions cannot be applied to more than five or six atoms, meaning that it is not possible to study most chemical reactions in full detail. In this project a new technique for performing these accurate simulations, recently invented at the Australian National University and allowing the study of much larger systems, will be developed and applied to important outstanding problems in chemical dynamics, ranging from roaming in formaldehyde to atom migration in proteins.Read moreRead less
Southern Ocean aerosols: sources, sinks and impact on cloud properties. This project aims to provide fundamental process-level understanding of atmospheric aerosol processes over the Southern Ocean, a region that has a profound influence on the Australian and global climate and where climate models perform poorly. Comprehensive observations during 3 Southern Ocean voyages and land-based measurements will enhance our knowledge of aerosols and cloud formation in that region and provide much-needed ....Southern Ocean aerosols: sources, sinks and impact on cloud properties. This project aims to provide fundamental process-level understanding of atmospheric aerosol processes over the Southern Ocean, a region that has a profound influence on the Australian and global climate and where climate models perform poorly. Comprehensive observations during 3 Southern Ocean voyages and land-based measurements will enhance our knowledge of aerosols and cloud formation in that region and provide much-needed data for improving global climate models. Expected outcomes include more accurate seasonal and latitudinal representations of Southern Ocean aerosol populations, properties and sources. The main benefit includes improvements in weather forecasting and future climate projection for Australia and the Southern Hemisphere.Read moreRead less
ARC Centre of Excellence for Climate Extremes. This Centre aims to transform understanding of past and present climate extremes and revolutionise Australia’s capability to predict them into the future. Climate extremes cost Australia up to $4 billion a year and will intensify over coming decades. This Centre’s blue-sky research will discover processes that explain the behaviour of present and future climate extremes. It will use its researchers, data, modelling, collaboration, graduate programme ....ARC Centre of Excellence for Climate Extremes. This Centre aims to transform understanding of past and present climate extremes and revolutionise Australia’s capability to predict them into the future. Climate extremes cost Australia up to $4 billion a year and will intensify over coming decades. This Centre’s blue-sky research will discover processes that explain the behaviour of present and future climate extremes. It will use its researchers, data, modelling, collaboration, graduate programme and early career researcher mentoring to transform Australia’s capacity to predict climate extremes. This research is expected to make Australia more resilient to climate extremes and minimise risks from climate extremes to the Australian environment, society and economy.Read moreRead less
GBR as a significant source of climatically relevant aerosol particles. Every cloud drop is formed from a microscopic aerosol particle, known as a cloud condensation nuclei (CCN). In unpolluted environments the CCN particles originate from biogenic sources. Determining the magnitude and driving factors of biogenic aerosol production in different ecosystems is crucial to the development and improvement of climate models. This project aims to determine the mechanisms of new particle production fro ....GBR as a significant source of climatically relevant aerosol particles. Every cloud drop is formed from a microscopic aerosol particle, known as a cloud condensation nuclei (CCN). In unpolluted environments the CCN particles originate from biogenic sources. Determining the magnitude and driving factors of biogenic aerosol production in different ecosystems is crucial to the development and improvement of climate models. This project aims to determine the mechanisms of new particle production from one of the biggest ecosystems in Australia, the Great Barrier Reef. It is expected that the project will establish whether marine aerosol along the Queensland coast is coral-derived and show that this aerosol can affect the CCN concentration and therefore cloud formation and the hydrological cycle.Read moreRead less
The changing relationship between the South Asian and Australian Monsoon in a warming world. The success or failure of the Australian and South Asian Monsoons can mean the difference between prosperity and severe hardship in the affected regions. This project will help to understand the causes of the monsoon variability, both natural and human-induced, and what the future might have in store.
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE200100040
Funder
Australian Research Council
Funding Amount
$580,000.00
Summary
Fast Disk Storage to Enable Big Data Science in Weather, Oceans and Climate. This project aims to expand Australia's capacity to do high-impact innovative climate, weather and oceanographic science. Science of this kind relies on massive data coupled to computationally highly intensive and complex analysis. Therefore, the project will purchase fast disk storage and install it at the National Computing Infrastructure. It is anticipated that the project will benefit the nation through better under ....Fast Disk Storage to Enable Big Data Science in Weather, Oceans and Climate. This project aims to expand Australia's capacity to do high-impact innovative climate, weather and oceanographic science. Science of this kind relies on massive data coupled to computationally highly intensive and complex analysis. Therefore, the project will purchase fast disk storage and install it at the National Computing Infrastructure. It is anticipated that the project will benefit the nation through better understanding of the climate system, including extremes; improvements in our capacity to make predictions; and through applications of the science to forecasting, the management of resources among other many other things.Read moreRead less
Entrainment and Mixing in Turbulent Negatively Buoyant Jets and Fountains. The project intends to develop tools to accurate predict fountain flows. Volcanic eruptions, building ventilation and brine discharge from desalination plants are all examples of turbulent fountains and negatively buoyant jets. The project aims to conduct an investigation into the turbulent structure of fountains and negatively buoyant jets using numerical simulation and laboratory experiments, and to assess the accuracy ....Entrainment and Mixing in Turbulent Negatively Buoyant Jets and Fountains. The project intends to develop tools to accurate predict fountain flows. Volcanic eruptions, building ventilation and brine discharge from desalination plants are all examples of turbulent fountains and negatively buoyant jets. The project aims to conduct an investigation into the turbulent structure of fountains and negatively buoyant jets using numerical simulation and laboratory experiments, and to assess the accuracy of the commonly used integral models and test the effect of the use of more accurate entrainment relations. This may have a range of applications – enabling better prediction of environmental impacts, reduction of the adverse effects of the discharge of pollutants, and reduction in energy consumption in building ventilation and other industrial applications.Read moreRead less