Study of Cu45Zr55-xAlx (x=3, 7, 12) bulk metallic glasses by ab-initio molecular dynamics simulation

被引：2

作者：

Wei Hong-Qing ^{[1
]}

Long Zhi-Lin ^{[1
]}

Xu Fu ^{[1
]}

Zhang Ping ^{[1
]}

Tang Yi ^{[2
]}

机构：

[1] Xiangtan Univ, Civil Engn & Mech Coll, Xiangtan 411105, Peoples R China

[2] Xiangtan Univ, Dept Phys, Xiangtan 411105, Peoples R China

来源：

ACTA PHYSICA SINICA | 2014年 / 63卷 / 11期

基金：

中国国家自然科学基金;

关键词：

bulk metallic glass; atomic clusters; composition design; glass forming ability; MECHANICAL-PROPERTIES; CU-ZR; CLUSTERS; ALLOYS;

D O I：

10.7498/aps.63.118101

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Local structural changes from liquid to amorphous state in three Cu(45)Zr(55-x)Alx ( x = 3, 7, 12) ternary metallic glasses have been investigated by the ab initio molecular dynamics simulation. The atomic structure of the glasses has been analyzed by means of bond-type index method in Honeycutt-Andersen and Voronoi tessellation method. Alcentered icosahedral clusters are identified as the basic local structural units and these Al-centered stable clusters play a key role in the structural heterogeneity and glass-forming ability of the Cu-Zr-Al bulk metallic glasses.

引用

页数：9

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