Effect of the surface on characteristics of amorphization Ni-Ag system

Компьютерные исследования и моделирование

关键词: metal nanoparticle;    molecular dynamics simulation;    icosahedron;   

DOI  :  10.20537/2076-7633-2014-6-2-263-269

来源: DOAJ

【 摘 要 】

Molecular dynamics simulation using the embedded-atom method is applied to study the structural evolution of the particle diameter of 40 Å during the quenching process. Was carried comparative analysis of the structural reconstruction for the particle and the bulk models. Was a reduction in temperature of the beginning and end of the transformation of the particle. In formation of a percolation cluster from interpenetrating and contacting icosahedrons, for model of the particle, it is involved for 10 percent of atoms more, than for model of a bulk.

【 授权许可】

Unknown