物理学报2012，Vol.61Issue(4)：304-312,9.
以最大原子密度定义合金相中的第一近邻团簇
Defining nearest neighbor clusters in alloy phases using radial distribution of atomic density
摘要
Abstract
Metallic glasses,quasicrystals and many intermetallic compounds belong to complex alloy phases which are characterized by specific nearest-neighbor coordination polyhedral clusters representing the local atomic features of their parent phases.However, the nearest neighbor atoms are often distributed on multiple shells,which makes the cluster difficult to define exactly.For an alloy phase dominated by the clusters,there showed appear distinct differences between the cluster part and the average structure of the phase,especially with regards to the atomic density.The clusters should have the highest atomic density so that their presence is very pronounced in phase compared with the average structure.In this paper,radial distribution of atomic density（numbers of atoms contained in different spherical shells） is proposed to define the cluster in a clear manner.The spherical shell enclosing the highest atomic density and having dense-packed triangular facets is selected as the nearest-neighbor cluster.Al-Ni-Zr alloy phases are taken for example to illustrate the easy use of this method,and the relationship between cluster and metallic glass formation is also explained.关键词
团簇/原子密度/Al-Ni-Zr合金相/非晶形成Key words
cluster/atomic density/Al-Ni-Zr alloy phases/metallic glass formation分类
数理科学引用本文复制引用
陈季香,羌建兵,王清,董闯..以最大原子密度定义合金相中的第一近邻团簇[J].物理学报,2012,61(4):304-312,9.基金项目
国家自然科学基金（批准号：51131002 5104101 1和50901012）资助的课题 （）
