Heredity of clusters in the rapidly cooling processes of Al-doped Zr_(50)Cu_(50)melts and its correlation with the glass-forming ability  

作　　者：Dadong Wen Yonghe Deng Ming Gao Zean Tian 文大东;邓永和;高明;田泽安(School of Computational Science&Electronics,Hunan Institute of Engineering,Xiangtan 411104,China;School of Materials Science and Engineering,Hunan University,Changsha 410081,China)

机构地区：[1]School of Computational Science&Electronics,Hunan Institute of Engineering,Xiangtan 411104,China [2]School of Materials Science and Engineering,Hunan University,Changsha 410081,China

出　　处：《Chinese Physics B》2021年第7期362-369,共8页中国物理B（英文版）

基　　金：the National Natural Science Foundation of China(Grant No.51701071);the Natural Science Foundation of Hunan Province,China(Grant Nos.2018JJ3100 and 2018JJ2078);the Project of the Hunan Educational Department,China(Grant No.19B122)。

摘　　要：The heredity of clusters in rapidly cooled(Zr_(50)Cu_(50))_(100-x)Al_x melts and its correlation with glass-forming ability(GFA)are studied via molecular dynamics simulations.Pair distribution function and the largest standard cluster(LSC)are adopted to characterize the local atomic structures in the(Zr_(50)Cu_(50))_(100-x)Al_(x)systems.The[12/555]icosahedra and their medium-range order(IMRO)play an important role in forming(Zr_(50)Cu_(50))_(100-x)Al_(x)metallic glasses(MGs).The fraction of[12/555],the number of IMRO,and the maximum size of IMRO in MGs increase significantly with increasing x.A tracking study further reveals that the configuration heredity of icosahedral clusters starts from supercooled liquids.No direct correlation exists between the GFA and the onset temperature of continuous or stated heredity.Instead,a larger hereditary supercooled degree of icosahedra matches with better GFA of Al-doped Zr_(50)Cu_(50)alloys.

关 键 词：glass forming ability atomic structure HEREDITY molecular dynamics 

分 类 号：TG139.8[一般工业技术—材料科学与工程]