Grain size has a profound effect on the mechanical response of metals. Molecular dynamics
continues to expand its range from a handful of atoms to grain sizes up to 50 nm, albeit …

Atomistic simulations such as molecular dynamics and Monte Carlo are widely used for
understanding the material's behavior at a more fundamental level, eg, at the atomic level …

Two-dimensional materials beyond graphene are attracting much attention. Recently
discovered 2D carbides and nitrides (MXenes) have shown very attractive electrical and …

The structural, elastic and electronic properties of two-dimensional (2D) titanium
carbide/nitride based pristine (Ti n+ 1 C n/Ti n+ 1 N n) and functionalized MXenes (Ti n+ 1 C …

Atomic-level modeling of materials provides fundamental insights into phase stability,
structure and properties of crystalline defects, and to physical mechanisms of many …

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 …

In this study, in situ-formed TiC/TC4 alloy nanocomposites were fabricated using the
selective laser melting (SLM) process with TC4 and graphene nanoplates (GNPs) powders …

The first principles calculations based on density functional theory (DFT) were adopted to
investigate the stability, elastic constants, chemical bonding, Debye temperature and …

The graphene network (GN) reinforced Ti6Al4V composites with concurrently enhanced
strength and ductility are fabricated based on powder metallurgy, in which the GN interlocks …

Modification of titanium microstructure after propagation of a melting shock wave (SW)
generated by a femtosecond laser pulse is investigated experimentally and analyzed using …