Thermal and mechanical properties of some fcc transition metals

The temperature dependence of thermodynamic and mechanical properties of six fcc transition metals ~Ni, Cu, Ag, Au, Pt, Rh! are studied using molecular dynamics ~MD! simulations. The structures are described at elevated temperatures by the force fields developed by Sutton and co-workers within the context of the tight binding approach. In these simulations the thermodynamic and mechanical properties are calculated in the temperature range between 0 to 1500 K using the statistical fluctuation expressions over the MD trajectories. @S0163-1829~99!00805-X#