液态贵金属Au,Ag的局域结构与键取向序

LOCAL STRUCTURE AND BOND ORIENTATION ORDER OF LIQUID NOBLE METAL Au AND Ag

采用镶嵌原子模型和分子动力学计算机模拟方法研究了液态贵金属Au,Ag在熔点附近的结构。结果表明,在熔点附近,液态Au和Ag存在局域立方对称性,并且这种对称性之间的长程取向关联较弱。

Based on the embedded-atom-method, the st ructures of liquid noble metal Au and Ag have been investigated using Molecular Dynamics computer simubation. Results show that, near the melting point, there exists local cubic symmertry, and long-range correlations among these symmertries, are very weak.