基于量 Sutton 陈许多身体潜力,分子的动力学模拟被执行与 50 000 个原子在液体 Cu 调查簇的形成和进化性质。簇类型索引方法(CTIM ) 被用来描述复杂微观结构转变。非结晶的结构主要在系统与 1551 , 1541 和 1431 的三契约类型被形成,这被表明,并且 icosahedral 聚类 12 0 12 0 )并且另外的基本多面体簇( 12 2 8 2 ),( 13 1 10 2 ),( 13 3 6 4 ),( 14 1 10 3 ),( 14 2 8 4 )并且( 14 3 6 5 )玩一批评并且在到玻璃的从液体的转变的主角。在系统形成的 nano 簇由与对方连接由一些基本的簇和中间的簇配置组成,并且与气体的免职和离子的水花获得的那些区分开来。从结构的参数对分发函数 g (r) ,契约类型和基本簇类型的结果,为液体金属 Cu 的玻璃转化温度 Tg 是以 1.0 × 1 的冷却的率的大约 673 K,这被发现 014 K/s。
Based on the quantum Sutton-Chen many-body potential, a molecular dynamics simulation was performed to investigate the formation and evolution properties of clusters in liquid Cu with 50 000 atoms. The cluster-type index method(CTIM) was used to describe the complex microstructure transitions. It is demonstrated that the amorphous structures are mainly formed with the three bond-types of 1551, 1541 and 1431 in the system, and the icosahedral cluster (12 0 12 0) and other basic polyhedron clusters of (12 2 8 2), (13 1 10 2), (13 3 6 4), (14 1 10 3), (14 2 8 4) and (14 3 6 5) play a critical and leading role in the transition from liquid to glass. The nano-clusters formed in the system consist of some basic clusters and middle cluster configurations by connecting to each other, and distinguish from those obtained by gaseous deposition and ionic spray. From the results of structural parameter pair distribution function g(r), bond-types and basic cluster-types, it is found that the glass transition temperature Tg for liquid metal Cu is about 673 K at the cooling rate of 1.0 × 10^14 K/s.