Strengthening of magnesium (Mg) is known to occur through dislocation accumulation, grain
refinement, deformation twinning, and texture control or dislocation pinning by solute atoms …

Liquid-gas two-phase flows are commonly encountered and studied phenomena in various
low temperature ordinary liquids. In contrast, a two-phase flow occurring in a Liquid Metal …

We propose an approach to accelerate the computational exploration and the prediction of
the preferred chemical ordering in alloy nanoparticles. This approach, named Grouping …

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

In this study, the structure, the energetic, and the strength of a 10 1¯ 1< 11 2¯ 0> symmetric
tilt grain boundary in magnesium and magnesium binary alloys were analyzed in the …

We propose the Augmented Grouping Approach (AugGA) and its deployment in the
Augmented Grouping GO (AugGGO) scheme, for an efficient exploration of the chemical …

An overview is given of methods for the computational prediction of the atomistic and
electronic structures of nanoscale oxide interfaces. Global optimization approaches for …

The interaction between segregated alloying elements (Al, Li, Sn, Y, and Ca) and three
crack systems is investigated in magnesium single crystal under mode I loading condition …

Interatomic potentials for pure Ag and Mg–Ag alloy have been developed in the framework
of the second nearest-neighbors modified embedded-atom method (MEAM). The validity …

基于分子动力学方法的计算材料科学是研究微纳米尺度变形机理的重要途径,
有助于理清镁合金不同塑性变形机制间的详细竞争关系. 本文概述了镁合金中滑移 …