The Effect of Temperature Increasing Rate on Gold Melting Temperature using Molecular Dynamic Simulation

In this paper, we investigate the thermal properties and equilibrium behavior of gold nanowire by molecular dynamics simulation method. The simulations have been done with EAM potential. The results of simulation with EAM potential are compared with the experimental data which is showing a good agreement. Thermal characteristics including energy, melting temperature dependence, latent heat of melting in NPT ensemble are calculated. The results of the investigation show that the melting temperature of Au changes with the rates of temperature increasing rate in the NPT ensemble.

کلیدواژه ها:

Molecular Dynamic Simulation ، Melting Temperature ، Gold ، Diameter ، Latent Heat