Rang-su Liu

TL;DR: In this article, the surface-isomers are constructed on the base of regular crystalline, decahedral or icosahedral nanoparticles by adding few layers with specific atomic arrangement.

TL;DR: In this paper, a molecular dynamics simulation has been performed on the rapid quenching processes of Ca7Mg3 alloy including 100,000 atoms, and the structures of short-range order (SRO) and medium range order (MRO) were investigated by means of several structural analysis methods, and it was found that the SRO in Ca7mg3 metallic glass can be modeled by neither a uniquely prescribed stereochemical structure nor five Bernal polyhedra but rather various types of basic clusters in which the icosahedron is dominant.

TL;DR: In this article, the similarity and difference between CTIM clusters and Voronoi polyhedrons (VPs) in under-cooled liquids and rapidly solidified solids of silvers are analyzed from the configurational view of point.

TL;DR: In this article, a molecular dynamics simulation is conducted to investigate the structural evolution during the crystallization of a rapidly supper-cooled copper melt, and it is found that Ostwald's rule of stages is applicable.

TL;DR: Molecular dynamics simulations have been performed to explore the effect of pressure (P) on the crystallization of zirconium (Zr) under rapid cooling and reveal that if nucleation is essentially completed at the end of the first crystalline (bcc-dominated) stage, MisC will occur; otherwise, SisC occurs.