Molecular dynamics simulation of Ni3Al melting

被引：2

作者：

Wang, Rongshan ^{[1
,4
]}

Hou, Huaiyu ^{[2
]}

Ni, Xiaodong ^{[3
]}

Chen, Guoliang ^{[1
,2
]}

机构：

[1] Univ Sci & Technol, State Key Lab Adv Met & Mat, Beijing 100083, Peoples R China

[2] Nanjing Univ Sci & Technol, Dept Mat Sci & Engn, Nanjing 210094, Peoples R China

[3] Univ Sci & Technol Beijing, Sch Appl Sci, Beijing 100083, Peoples R China

[4] Power Plant Life Management Res Ctr, Suzhou Nucl Power Res Inst, Suzhou 215004, Peoples R China

来源：

JOURNAL OF UNIVERSITY OF SCIENCE AND TECHNOLOGY BEIJING | 2008年 / 15卷 / 04期

基金：

中国国家自然科学基金;

关键词：

Ni3Al; melting point; molecular dynamics simulation; EAM potential;

D O I：

10.1016/S1005-8850(08)60080-8

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

With the Voter-Chen version of embedded-atom model (EAM) potential and molecular dynamics, the melting of Ni3Al alloy was simulated by one-phase (conventional) and two-phase approaches. It is shown that the Simulated melting point is dependent on the potential and the simulation method. The structures of the melts obtained by different simulation methods were analyzed by the pair correlation function, the coordination number, and the distribution of atom pair type (indexed by the Honeycutt-Andersen pair analysis technique). The results show that the structures are very similar. (c) 2008 University of Science and Technology Beijing. All rights reserved.

引用

页码：425 / 429

页数：5

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