  The temperature dependence of thermodynamic and mechanical properties of six
fcc transition metals (Ni, Cu, Ag, Au, Pt, Rh) and the alloying behavior of
Ag-Au and Cu-Ni are studied using molecular dynamics (MD). The structures are
described at elevated temperatures by the force fields developed by Sutton and
co-workers within the context of tight binding approach. MD algorithms are
based on the extended Hamiltonian formalism from the works of Andersen,
Parinello and Rahman, Nose, Hoover and Cagin.The SIMULATOR program that we use
generates information about various physical properties during the run time
along with critical trajectory and stepwise information which need to be
analyzed post production. The thermodynamic and mechanical properties are
calculated in the temperature range between 300K to 1500K with 200K increments
using the statistical fluctuation expressions over the MD trajectories.
