Modelling of thermotransport in engineering materials

In this dissertation, the temperature and composition dependence of mass diffusion, thermal conductivity, thermotransport (thermodiffusion) properties are investigated numerically for liquid Cu-Ag binary alloys. The thermodynamic properties of the liquid Cu-Ag binary system are also studied over wide temperature and composition ranges. All studies were performed by making use of Molecular Dynamics (MD) simulations with a reliable classical embedded-atom method (EAM) potential [1].