二十面体对称
分子动力学
合金
径向分布函数
材料科学
Atom(片上系统)
非晶态金属
无定形固体
订单(交换)
债券定单
化学物理
结晶学
化学
粘结长度
计算化学
冶金
晶体结构
财务
经济
嵌入式系统
计算机科学
出处
期刊:Vacuum
[Elsevier]
日期:2013-11-01
卷期号:97: 30-35
被引量:30
标识
DOI:10.1016/j.vacuum.2013.04.004
摘要
In this study, a molecular dynamics (MD) simulation is carried out to obtain glass formation and icosahedral order for Cu–%50Ni model alloy system with 10,976 atoms based on embedded atom model (EAM) during the cooling processes. The structural development and icosahedral order of alloy system are analysed with the radial distribution function (RDF), the bond orientational order parameters and Honeycutt–Andersen (HA) bond-type index method. By looking into the amorphous-type bonded pairs within the atomic clusters and by analysing bond orientational order parameters (icos Q6 and icos Wˆ6), the icosahedral order is investigated under different cooling processes for the model alloy system.
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