Post-transition elements, together with zinc-group metals and their alloys belong to an
emerging class of materials with fascinating characteristics originating from their …

Thermophysical properties at high temperatures and pressures are difficult to measure.
Many reviews have approximated experimental data with empirical polynomial functions. In …

The thermodynamic properties of 254 end‐members, including 210 mineral end‐members,
18 silicate liquid end‐members and 26 aqueous fluid species are presented in a revised …

In the second article of the series, we present the Gibbs 2 code, a Fortran90
reimplementation of the original Gibbs program [Comput. Phys. Commun. 158 (2004) 57] for …

Abstract Development of lead-free dielectric capacitors with high recoverable energy
storage density (W rec), large energy storage efficiency (η), and wide usage temperature …

Room temperature static compression of MgO (periclase) was performed under nearly
hydrostatic conditions using energy dispersive synchrotron X‐ray diffraction in a diamond …

The high-temperature cell parameters of lime (CaO), periclase (MgO), corundum (Al 2 O 3),
and spinel (MgAl 2 O 4) have been determined from 300 up to 3000 K through X-ray …

The performance of various commonly used density functionals is established by comparing
calculated values of atomic structure data, cohesive energies, and bulk moduli of all …

We assess the validity of various exchange-correlation functionals for computing the
structural, vibrational, dielectric, and thermodynamical properties of materials in the …

Semiempirical equations of state (EoS) of Au, Pt, MgO, NaCl-B1, and NaCl-B2 based on
expanded Mie–Grüneisen–Debye approach, which are consistent both with the Mie …