Nanoscale Structure and Structural Relaxation in Zr50Cu45Al5 Bulk Metallic Glass
Nanoscale Structure and Structural Relaxation in Zr50Cu45Al5 Bulk Metallic Glass
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DOI：
10.1103/physrevlett.108.195505
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发表时间：
2012-05-11
影响因子：
8.6
通讯作者：
Voyles, P. M.
中科院分区：
文献类型：
--
作者：
Hwang, Jinwoo;Melgarejo, Z. H.;Voyles, P. M.
混合反向Monte Carlo模拟的结构的Zr50Cu45Al5块体金属玻璃纳入中程结构从波动电子显微镜数据和短程结构从嵌入式原子势产生的结构与二十面体和晶体状原子簇的显着分数。相似的团簇聚集在一起形成纳米尺度的区域，弛豫将晶体状团簇转变为二十面体团簇。仅针对势进行细化的模型与波动显微镜数据不一致，并且包含很少的晶体状团簇。
Hybrid reverse Monte Carlo simulations of the structure of Zr50Cu45Al5 bulk metallic glass incorporating medium-range structure from fluctuation electron microscopy data and short-range structure from an embedded atom potential produce structures with significant fractions of icosahedral- and crystal-like atomic clusters. Similar clusters group together into nanometer-scale regions, and relaxation transforms crystal-like clusters into icosahedral clusters. A model refined against only the potential does not agree with the fluctuation microscopy data and contains few crystal-like clusters.