Thermal and mechanical properties of some fcc transition metals

The temperature dependence of thermodynamic and mechanical properties of si x fee transition metals (Ni, Cu, Ag, Au, Pt, Rh) are studied using molecula r dynamics (MD) simulations. The structures are described at elevated tempe ratures by the force fields developed by Sutton and co-workers within the c ontext of the tight binding approach. In these simulations the thermodynami c and mechanical properties are calculated in the temperature range between 0 to 1500 K using the statistical fluctuation expressions over the MD traj ectories. [S0163-1829(99)00805-X].