В научной литературе такие ключевые термины, как «наноматериалы» и
«нанотехнологии», в современном понимании появились лишь немногим более 30 лет …

We have employed thermodynamics and first-principles density-functional calculations to
investigate the structural stability and mechanical properties of fifty-six quinary high-entropy …

First-principles calculations are performed to investigate the elastic properties and hardness
of TiC and TiN. The calculated elastic constants for TiC agree closely with the experimental …

Key trends in basic and application-oriented research on nanomaterials are considered. It is
noted that some studies are now carried out abroad and in domestic laboratories, while …

Nanocomposites based on hard compounds are currently on the stage of active research
and development. Hence the analysis of a relation between nanostructure and functional …

Transition-metal nitrides (TMNs) are used in a variety of applications because of their
renowned hardness and stability. Departure from the nominal 1: 1 stoichiometry is often …

A comparative study on the mechanical properties of three different SiC polytypes (3C, 4H,
and 6H) under ambient and high pressures was conducted through first-principles …

We performed extensive high-throughput density functional theory (DFT) and
thermodynamics calculations that led to the prediction of single-phase stability, mechanical …

The α-WC (0001) surface and β-SiC (111)/α-WC (0001) interface were studied by first-
principles calculation based on density functional theory. It is demonstrated that the α-WC …

TiN/SiN x heterostructures with one monolayer of the interfacial SiN x have been
investigated in the framework of first-principles molecular dynamics calculations in the …