Improving nanostructured supercapacitors through computational insight. This project aims to understand the mechanism of charge and discharge in nanostructured supercapacitors to guide in the development of better energy storage systems. This will be achieved using molecular computations of the structure and diffusion coefficients in supercapacitors with various electrodes of different nanostructure and chemical composition. A statistical mechanical definition of the local diffusion coefficien ....Improving nanostructured supercapacitors through computational insight. This project aims to understand the mechanism of charge and discharge in nanostructured supercapacitors to guide in the development of better energy storage systems. This will be achieved using molecular computations of the structure and diffusion coefficients in supercapacitors with various electrodes of different nanostructure and chemical composition. A statistical mechanical definition of the local diffusion coefficient will provide important information on the mobility of ions in different regions near the electrodes. Knowledge on how nanostructured electrodes affect supercapacitor function will allow advances in energy storage systems that are of great significance for our future energy needs.Read moreRead less
Understanding dissipation, thermal conduction and diffusion in superionic conductors using ab initio nonequilibrium molecular dynamics simulation. Lithium ion batteries are widely used in computers, cars and more recently in aircraft. However they may exhibit thermal runaway leading to fire. Recently these problems have grounded the fleet of Boeing 787 aircraft, worldwide. Understanding superionic conduction is of thus of considerable technological importance. The project will focus on understa ....Understanding dissipation, thermal conduction and diffusion in superionic conductors using ab initio nonequilibrium molecular dynamics simulation. Lithium ion batteries are widely used in computers, cars and more recently in aircraft. However they may exhibit thermal runaway leading to fire. Recently these problems have grounded the fleet of Boeing 787 aircraft, worldwide. Understanding superionic conduction is of thus of considerable technological importance. The project will focus on understanding mass and heat flow in superionic conductors using a new molecular simulation technique that the team has recently developed. This technique combines nonequilibrium statistical mechanics and ab initio molecular dynamics simulation. The project will learn how heat is generated and conducted through these materials and how temperature influences these processes, and how heat and mass flow couple together.Read moreRead less
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE120100112
Funder
Australian Research Council
Funding Amount
$275,000.00
Summary
A Raman facility for advanced research supporting Australia’s natural gas, oil, coal and minerals industries. This modern Raman Spectroscopy facility will support the science and engineering that underpins the production and processing of Australia’s natural resources. Using high-pressure fibre optics, novel lasers and advanced imaging, the facility will enable the monitoring and improvement of processes and materials under extreme conditions.