Molar Volume of Fcc Phase in the Ni-Cr-Mo System

Abstract

The molar volume of fcc phase in the Ni-Cr-Mo system has been evaluated by means of the CALPHAD approach based on experimental data from the literature. The molar volumes of the non-stable fcc Cr and Mo were determined by extrapolating volume data from several stable solid solutions combined with the first-principles calculation results. A set of parameters has been obtained and can give a reasonable description of most experimental data on molar volume.

Thermodynamic modeling of Cr and Cr–H systems up to high temperatures and high pressures

“…approximately 2.0 Å 3 per hydrogen atom [53]. For H/Cr = 0, the value 7.50 x 10 -6 m 3 /mol corresponding to a calculated metastable fcc Cr is taken from Li et al [54]. The plain symbols in Fig.…”