In this review paper, nine different types of high-temperature piezoelectric crystals and their
sensor applications are overviewed. The important materials' properties of these …

We apply several recently introduced projector-augmented wave, ultrasoft, and norm-
conserving pseudopotentials (PPs) to the calculation of the elastic constants of beryllium …

A mechanical constitutive relationship is the basis for the design and application of structural
materials, and the establishment of a mechanical constitutive relationship generally relies on …

Based on the first principles calculation combined with quasi-harmonic approximation in this
work, we focus on the analysis of temperature dependent lattice geometries, thermal …

We present ab-initio calculations of the quasi-harmonic temperature dependent elastic
constants. The isothermal elastic constants are calculated at each temperature as second …

Orowan strengthening is a key strengthening method for metallic materials. However, a
debate still exists on the effect of temperature on the Orowan strengthening mechanism …

The graphite-to-diamond transformation under shock compression has been of broad
scientific interest since 1961. The formation of hexagonal diamond (HD) is of particular …

Two-dimensional (2D) transition metal carbides, carbonitrides, and nitrides (named as
MXenes) have become of the fastest growing family of 2D materials in terms of compositions …

First-principle calculations have been performed to investigate the structural, mechanical,
thermodynamic and electronic properties of eight binary Cu–Zr intermetallic compounds …

The quasiharmonic approximation (QHA) is the simplest nontrivial approximation for
interacting phonons under constant pressure, bringing the effects of anharmonicity into …