The Investigations of some thermoelastic properties of gold and aluminium by using molecular dynamical simulations method

In this study, Molecular Dynamics Simulations are performed by using EAM(embedded athom method) for Al and Au. The phase diagrams for Al and Auare exemined, and also the changing of thermodynamics paremeters with thetemperature and pressure are calculated by using classical thermodynamicalapproximations.Specifically P-T graphs, the variations of thermal coefficients, specific heat,radial distribuation functions, second order elastic constants and bulk moduluswith temprature and pressure are calculated. The glass formation for thesemetals are also investigated.