The structure and mechanical response of grain boundaries (GBs) are essential for
predicting the mechanical properties of polycrystalline materials. Understanding the …

The continuous development of hydrogen-permeation barriers (HPB) based on metal
nitrides highly desires a generic unification of the key thermodynamic and kinetic …

Hard refractory transition-metal nitrides possess unique combinations of outstanding
mechanical and physical properties, but are typically brittle. Recent experimental results …

A model for kinetics of segregation of several interstitial and substitutional components to
different kinds of traps at grain boundaries is derived by applying the Thermodynamic …

In this work, using first-principles calculation method, the effect of twelve< 110> symmetric tilt
grain boundaries (GBs) on the initial oxidation behavior of TiN was studied. Firstly, the …

The adhesion, stability, electronic structure, and ductility of Al/TiC interfaces with Al, Ti, and
C vacancies (Al v, C v and Ti v) are investigated using first-principles calculations. The …

First principles calculations are employed to investigate the structure, electronic properties,
and oxygen incorporation/diffusion characteristics of the Σ 5 TiN (310) tilt grain boundary …

Density functional theory (DFT) simulations are utilized to study the absorption and diffusion
of hydride ions along four types of titanium nitride grain boundaries: open and compact …

The use of self-lubricating titanium nitride and silver (TiN (Ag)) nanocomposite coatings is a
promising way to reduce the wear of tools employed dry machining operations for hard-to …

NiFe2O4‐based ceramic inert anodes for aluminum electrolysis doped with various TiN
nanoparticles were prepared by a two‐step cold‐pressing sintering process to investigate …