Atomistic simulations and modelling of high-performance engineering materials

Dr. Leo Hong speaks on his research focus on reactive molecular dynamics (RMD) simulation of chemical/physical processes of complex nanostructured systems (structures with dimensions of only a few nanometers). An RMD simulation is a method of studying the behaviour of materials by tracking the atomistic interactions in a system. The simulations are used to solve chemical problems, such as understanding reaction rates and kinetics, and the reaction pathways of physical/chemical/biological systems. His recent collaborative investigations include the development of mechanically strengthened glass-ceramic materials for aircraft windshield/window applications; the computational design of high-performance liquid fuels for the hypersonic scramjet aircraft for improved regenerative cooling and combustion performance; and computational synthesis of surface-coated aluminium nanoparticles to improve the combustion performance.