Study of thermal properties of nickel using embedded-atom-method

Abstract

Thermal properties of metals and alloys have been studied for a long due to their importance in the materials design. Molecular dynamics simulation technique is applied to investigate thermal properties of Ni. Semi-empirical potentials based on the Embedded Atom Method (EAM) have been employed to calculate lattice parameter, energy per atom, mean square displacements and radial distribution function. Thermal properties like specific heat, thermal coefficient of linear expansion and melting temperature are deduced from the calculated parameters. The results are found to compare well with the experimental results.