Comparing the Melting Point of Conductor Elements Using Different Thermostats

In this investigation, we focus on the melting of elements Ag, Au, Cu, Ni, Pd, Pt, Rh and Ir by imposing various thermostats. The melting temperature and cohesive energy calculated by molecular dynamics simulation technique in NPT ensemble. The Berendsen barostat for pressure control and velocity rescaling, Brendsen, Andersen and standard Nose-Hoover thermostats for temperature control were used. The results show that accuracy of these thermostats is almost the same.

کلیدواژه ها:

melting point ، cohesive energy ، thermostat ، molecular dynamics