Nickel has a stable face-centered-cube lattice structure with a high stacking fault energy. No
phase transition has been identified in Ni at elevated temperatures and under high pressure …

The role of grain boundary structures on the shock response of hexagonal-close-packed
(hcp) metals is little understood. We use molecular dynamics simulations to investigate …

Molecular dynamics simulations were used to study deformation-induced face-centered
cubic (fcc) to body-centered cubic (bcc) transformation during uniaxial compression of an …

In this paper, we observe for the first time that a metastable beta-Zr in the body-centered
cubic (BCC) structure can form via a new phase transformation route. The as-received alpha …

Disordered structures of boron nitride (BN), graphite, boron carbide (BC), and boron carbon
nitride (BCN) systems are considered important precursor materials for synthesis of …

The present molecular dynamics (MD) study investigates the effect of Mn and C additions
and phase boundaries on the deformation mechanism of fcc/bcc crystallites at an atomic …

With our recently developed deformation device, the in situ tensile tests of single crystal
molybdenum nanowires with various size and aspect ratio were conducted inside a …

The effect of oxygen on phase stability and β–α ″martensitic transformation in Ti–Nb alloys
has been studied using first principles calculations. Three stable atomic configurations of Ti …

A systematic theoretical study is presented of the stress-induced structural response of
initially cubic single crystals to uniaxial [100] loading based on elastic stability analysis and …

Abstract Effects of uniaxial tensile directions on the phase transformations in a nano-sized
face centred cubic (fcc) crystal in iron were studied by molecular dynamics simulations. The …