Baric and dimensional changes of niobium properties

Abstract

We have calculated the baric dependencies of thermophysical properties and melting temperature as well as the thermal equation of state for niobium based on the pair interatomic Mi-Lenard-Jones potential and the crystal Einstein model for niobium (Nb). Baric dependencies computations made along two isotherms 300 K and 3000 K are in good agreement with the experimental data for niobium. We have obtained the charts of pressure dependencies for the following properties: Debye temperature, the first, second and third Gruneisen parameters, isothermal compression modulus, isochoric and isobaric heat capacity, volumetric coefficient of thermal expansion and the melting temperature. The article investigates size dependencies of both specified properties and the melting temperature of niobium using an RP-model of nanocrystal.