Thermal Properties of FCC Metals; Molecular Dynamics Simulation

The thermodynamic properties such as latent heat of fusion, isobaric heat capacity, thermal expansion coefficient and cohesive energy were calculated by molecular dynamics simulation technique in NPT ensemble. The Berendsen barostat for pressure control and standard Nose-Hoover thermostat for temperature control were used.

کلیدواژه ها:

thermal properties ، cohesive energy ، latent heat ، thermostat ، molecular dynamics