Grain-boundary sliding in high-temperature ceramics: mechanical spectroscopy of high-purity magnesium oxide. The demise of elastic behaviour in materials stressed at sufficiently high temperature limits the usefulness of ceramics for structural applications, and is also responsible for reduced wave speeds and associated attenuation of seismic waves in the Earth's interior. Yet the nature of the transition in fine-grained materials tested at high temperature from elastic through anelastic to vis ....Grain-boundary sliding in high-temperature ceramics: mechanical spectroscopy of high-purity magnesium oxide. The demise of elastic behaviour in materials stressed at sufficiently high temperature limits the usefulness of ceramics for structural applications, and is also responsible for reduced wave speeds and associated attenuation of seismic waves in the Earth's interior. Yet the nature of the transition in fine-grained materials tested at high temperature from elastic through anelastic to viscous rheology remains poorly understood. Through a combination of mechanical testing by torsional forced oscillation/ microcreep methods of carefully fabricated and characterised specimens of polycrystalline MgO and associated micro-mechanical modelling we seek to clarify this fundamental and general aspect of high-temperature mechanical behaviour.Read moreRead less
An experimental study of trace element equilibria during metamorphism. The analytical methods and experimental data to be developed will enable an Australian team to become world leaders in determining pressures and temperatures of mineral growth that correspond to a range of depths and temperature gradients in the Earth tha t is wider than accessible previously. Obtaining this information from small zones within single grains will allow determination of rates of change, and give us a detailed p ....An experimental study of trace element equilibria during metamorphism. The analytical methods and experimental data to be developed will enable an Australian team to become world leaders in determining pressures and temperatures of mineral growth that correspond to a range of depths and temperature gradients in the Earth tha t is wider than accessible previously. Obtaining this information from small zones within single grains will allow determination of rates of change, and give us a detailed picture of how the host rock has evolved, even from very small samples. One application would be checking the origin of relatively common minerals for whether they could be associated with diamonds.Read moreRead less
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE100100236
Funder
Australian Research Council
Funding Amount
$180,000.00
Summary
Facilities for spectroscopy and diffraction at high pressures. The provision of infrastructure for the study of novel materials under high pressures will enhance Australia's capability in creating new materials and in creating new devices that meet needs in communication, environment and medicine applications. The new facility will enable researchers to understand the response of structures to extreme pressures and will exploit the unique capabilities of the synchrotron light.
Hierarchical modeling of protein interactions. Protein interactions play a central role in function and structural organization of cells. Their elucidation is essential for a better understanding of many cellular processes from signal transduction to enzyme inhibition. The aim of this project is to utilize the unprecedented powers of current supercomputers in developing a hierarchical model of protein interactions. The method combines Brownian dynamics at large distances and long time scales ....Hierarchical modeling of protein interactions. Protein interactions play a central role in function and structural organization of cells. Their elucidation is essential for a better understanding of many cellular processes from signal transduction to enzyme inhibition. The aim of this project is to utilize the unprecedented powers of current supercomputers in developing a hierarchical model of protein interactions. The method combines Brownian dynamics at large distances and long time scales with molecular dynamics at small distances and shorter times. Applications to both membrane proteins (blocking of ion channels by toxins and drugs) and globular proteins (ligand binding to receptors and protein association) will be considered.Read moreRead less
A hierarchical quantum mechanical and classical simulation of biological ion channels. I aim to develop a methodology incorporating molecular quantum
mechanics and classical Brownian mechanics in a way that can be
applied practically to large macromolecular systems, thus relating
fine structural details to experimentally measurable
properties. Specifically, I will apply this methodology to study ion
channels in which the challenge is to relate electronic and atomic
structure to the conduct ....A hierarchical quantum mechanical and classical simulation of biological ion channels. I aim to develop a methodology incorporating molecular quantum
mechanics and classical Brownian mechanics in a way that can be
applied practically to large macromolecular systems, thus relating
fine structural details to experimentally measurable
properties. Specifically, I will apply this methodology to study ion
channels in which the challenge is to relate electronic and atomic
structure to the conductance properties of the channel. Accurately
determining these relationships provides a pathway to developing cures
for many neurological, cardiac, and muscular diseases.
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Surface Forces in Aqueous Electrolytes. This project studies the force between two nearby colloidal particles or macromolecules in aqueous electrolyte solutions. Although such forces control the approach and binding of particles in electrolytes and hence have large practical significance they are poorly known. In recent work I established a rigorous scheme for calculation of the electrostatic contribution to the force and proved its feasibility. In order to realise practical applications, such a ....Surface Forces in Aqueous Electrolytes. This project studies the force between two nearby colloidal particles or macromolecules in aqueous electrolyte solutions. Although such forces control the approach and binding of particles in electrolytes and hence have large practical significance they are poorly known. In recent work I established a rigorous scheme for calculation of the electrostatic contribution to the force and proved its feasibility. In order to realise practical applications, such as in drug design, we must know the mean force between an ion and a surface or functional surface group. Here I propose to perform the required simulations and explore the analytical simplifications.Read moreRead less