This work was financially supported by the National Natural Science Foundation of China (Nos. 51301066 , 51501063 , and 51771073 ) and the Natural Science Foundation of Hunan Province (Nos. 13JJ4071 and 14JJ2080 ). We would also like to acknowledge the support of the computation platform of the National Super-Computer Center in Changsha (NSCC) .
机构署名:
本校为第一且通讯机构
院系归属:
理学院
摘要:
The common neighbor analysis (CNA) for binary systems is a promising tool for the identification of chemical ordering in atomic configurations obtained from atomistic simulations. It is an extension of the monatomic CNA by taking the chemical species of common neighbors as an additional criterion and thus can give the individual short-range order for each atom and the long-range order for a block of atoms in binary alloys. The possible shortcoming is also obvious since they only reflect the characteristic arrangement of the nearest neighbors of...