Analysis of Zn-Mg Alloy Structure and Phases Distribution of Zn-Mg Diffusion System

被引：1
|
作者：
Gao Shuai [1 ]
Wu Yong-Quan [1 ]
Shen Tong [1 ]
Zhang Ning [1 ]
Lai Li-Shan [1 ]
机构：
[1] Shanghai Univ, Shanghai Key Lab Modern Met & Mat Proc, Shanghai 200072, Peoples R China
来源：
ACTA PHYSICO-CHIMICA SINICA | 2012年 / 28卷 / 09期
基金：
中国国家自然科学基金;
关键词：
Cluster-type index method; Zn-Mg alloy; Crystal structure; Phases distribution; Two-step simulation; MOLECULAR-DYNAMICS SIMULATION; COOLING RATE; SOLIDIFICATION PROCESS; LIQUID COPPER; EVOLUTION; CLUSTERS; AL; CU; MICROSTRUCTURES; GLASSES;
D O I：
10.3866/PKU.WHXB201206131
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Molecular dynamics (MD) simulations usually analyze the structure of a phase by radial distribution function (RDF), the Honeycutt-Anderson (HA) bond pair analysis, and the cluster-type index method (CTIM). In this paper, we improve CTIM to allow the characterization of more kinds of crystal structure besides bcacc\hcp\non-crystal based on the theory of CTIM. The crystal structures of Zn-Mg alloys have been characterized and the phase distribution of the Zn-Mg diffusion system has been analyzed by CTIM. The results show that the CTIM integers can reveal differences between the Mg21Zn25, MgZn2, and Mg2Zn11 structures, and similarities between the Mg(2)n(7) and MgZn2 structures. Using a two-step simulation on the Zn-Mg diffusion system, fcc and hcp crystals occur at both extremes of the system and there are many non-crystal phases in the middle of the system. In addition, our results show that the interface structure of fcc and hcp crystals on the Zn side is mainly Zn12-C.
引用
收藏
页码：2037 / 2043
页数：7
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