Pressure is a fundamental thermodynamic variable that can be used to control the properties
of materials, because it reduces interatomic distances and profoundly modifies electronic …

Pressure has long been recognized as a fundamental thermodynamic variable but its
application was previously limited by the available pressure vessels and probes. The …

Hardness can be defined microscopically as the combined resistance of chemical bonds in
a material to indentation. The current review presents three most popular microscopic …

First principles calculations were performed to investigate the structural, elastic, and
electronic properties of Ir N 2 for various space groups: cubic F m-3 m and P a-3, hexagonal …

Determining bulk moduli is central to high-throughput screening of ultraincompressible
materials. However, existing approaches are either too inaccurate or too expensive for …

Poly-nitrogen compounds have been considered as potential high energy density materials
for a long time due to the large number of energetic N–N or N= N bonds. In most cases high …

Pressure and temperature influence all properties of a chemical system. And determine the
fate of a chemical reaction. Gases—and phase and chemical equilibria involving gaseous …

The nitrogen triple bond dissociates in the 100 GPa pressure range and a rich variety of
single-bonded polymeric nitrogen structures unique to this element have been predicted up …

Tungsten borides are among a distinct class of transition-metal light-element compounds
with superior mechanical properties that rival those of traditional superhard materials. An in …

Compared to oxides, the nitrides are relatively unexplored, making them a promising
chemical space for novel materials discovery. Of particular interest are nitrogen-rich nitrides …