Discovery Projects - Grant ID: DP140100193

Funded Activity Summary

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.

Funded Activity Details

Start Date: 01-01-2014

End Date: 31-12-2018

Funding Scheme: Discovery Projects

Funding Amount: $330,000.00

Funder: Australian Research Council

Research Topics

ANZSRC Field of Research (FoR)

Statistical Mechanics in Chemistry | Theory and Design of Materials | Transport Properties and Non-Equilibrium Processes | Theoretical and Computational Chemistry

ANZSRC Socio-Economic Objective (SEO)

Expanding Knowledge in the Chemical Sciences | Expanding Knowledge in the Physical Sciences | Energy Storage (excl. Hydrogen) |

Other Keywords

Energy Storage (excl. Hydrogen) | Expanding Knowledge in the Chemical Sciences | Expanding Knowledge in the Physical Sciences | Statistical Mechanics in Chemistry | Theoretical and Computational Chemistry | Theory and Design of Materials | Transport Properties and Non-Equilibrium Processes

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