Correlation between the Local Atomic Structure of Melts and Glass Forming Ability in Zr-Cu-Ni-Al Alloys

作     者：吴臣 黄永江 沈军 WU Chen;HUANG Yong-Jiang;SHEN Jun

作者机构：School of Materials Science and EngineeringHarbin Institute of TechnologyHarbin 150001 

出 版 物：《Chinese Physics Letters》 (中国物理快报（英文版）)

年 卷 期：2013年第30卷第10期

页      面：128-131页

核心收录：

学科分类：08[工学] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学] 0704[理学-天文学] 

主　　题：alloys structure distortion 

摘      要：The correlation between the atomic structure of melts and glass forming ability(GFA)in Zr_(53)Cu_(18.7)Ni_(12)Al_(16.3) and Zr_(50.7)Cu_(28)Ni_(9)Al_(12.3)(abbreviated as Zr53 and Zr507,respectively)alloys are studied by first principle simulations.The topological structure can be described by the Al-centered Kasper polyhedra and other distorted clusters with extrinsic disclinations.Due to the lower Al content in the Zr507 melts,its number of icosahedra is larger than that of the Zr53 melts.Also,the icosahedra in the Zr507 melts possess smaller distortion than those of the Zr_(53) melts,making the icosahedra more stable in the Zr507 melts.These two structural differences contribute to the slow dynamics and further enhance the GFA in the Zr507 alloy.