Classical molecular dynamics (MD) simulation method is employed to study the uniaxial
tensile deformation of nanocrystalline magnesium (Mg) of varying grain size levels. The …

Magnesium (Mg) and its alloys offer great potential for reducing vehicular mass and energy
consumption due to their inherently low densities. Historically, widespread applicability has …

The nanoindentation process of single-crystal and nanocrystalline copper is studied with
molecular dynamics simulations based on the many-body tight-binding potential. The grain …

Molecular dynamics simulation is utilized to study the effects of grain size and temperature
on the mechanical properties of quasi-two-dimensional (2D) nanocrystalline Cu with grain …

Vibration stress relief (VSR) can effectively eliminate residual stress and stabilize the
dimensional accuracy of components. However, most of the mechanism of VSR studies …

Tensile deformation of single crystal titanium nanowires (NWs) with size ranging from 3 nm
to 20 nm along [0001] orientation is investigated by molecular dynamics (MD) simulations …

The classic molecular dynamics (MD) simulation approach has been used to investigate the
microstructure change in polycrystalline magnesium (Mg) during compressive deformation …

During the nanofabrication process of polycrystalline materials, the interactions of
dislocations in material determine the evolution of subsurface defects. In this paper, the …

Addition of solutes such as lithium enhances ductility of hexagonal-close-packed (hcp)
magnesium (Mg). However, the atomistic underpinning of Li addition on individual …

Using large scale molecular dynamics simulation, we investigate the deleterious effect of
hydrogen in Zr. We consider both dilute and concentrated limit of H. In the dilute and …