Most metallic elements have a crystal structure that is either body-centered cubic (bcc), face-
centered close packed, or hexagonal close packed. If the bcc lattice is the …

High-pressure melting anchors the phase diagram of a material, revealing the effect of
pressure on the breakdown of the ordering of atoms in the solid. An important case is …

Molybdenum (Mo) is a transition metal with a wide range of technical applications. There
has long been strong interest in its high-pressure behavior, and it is often used as standard …

A comprehensive PVT dataset for bcc-Mo was obtained at pressures up to 31 GPa and
temperatures from 300 to 1673 K using MgO and Au pressure calibrants. The …

Calphad description at high pressure is a very important topic. Several models have been
proposed in the literature. The model proposed by Lu et al.(X.-G. Lu, M. Selleby and B …

The effect of the vanadium content on the magnetic moment and the mixing energy of bcc
and fcc disordered alloys of the Fe-V system was assessed from first-principles. For the bcc …

Proceeding from the pair interatomic interaction potential of Mie-Lenard-Jones type and the
Einstein crystal model, the thermal equation of state and baric dependencies of the …

Ab initio thermodynamic properties, equation of state and phase stability of periclase (MgO,
B1-type structure) have been investigated in a broad P–T range (0–160 GPa; 0–3000 K) in …

A comprehensive PVT dataset for bcc-tungsten was obtained for pressures up to 33.5 GPa
and temperatures 300–1673 K using MgO and Au pressure scales. The thermodynamic …

The parameters of the paired interatomic potential of Mie–Lennard-Jones for a disordered
fcc-Au-Fe substitution alloy were determined by the “average atom” analytical method …