Nanostructuring of titanium-based implantable devices can provide them with superior
mechanical properties and enhanced biocompatibity. An overview of advanced fabrication …

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 …

Phase transitions in nickel-titanium shape-memory alloys are investigated by means of
atomistic simulations. A second nearest-neighbor modified embedded-atom method …

Chemical short-range order (CSRO) in high entropy alloys (HEAs) has attracted interests
recently and is believed to be capable for tuning their mechanical properties. However, the …

Large scale atomistic simulations provide direct access to important materials phenomena
not easily accessible to experiments or quantum mechanics-based calculation approaches …

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

Chemically complex multicomponent alloys possess exceptional properties derived from an
inexhaustible compositional space. The complexity however makes interatomic potential …

A description of the martensitic transformations between the α, β, and ω phases of titanium
that includes nucleation and growth requires an accurate classical potential. Optimization of …

Ti exhibits complex plastic deformation controlled by active dislocation and twinning
systems. Understandings on dislocation cores and twin interfaces are currently not complete …

BCC transition metals (TMs) exhibit complex temperature and strain-rate dependent plastic
deformation behavior controlled by individual crystal lattice defects. Classical empirical and …