Molecular dynamics study of the binary Cu46Zr54 metallic glass motivated by experiments:: Glass formation and atomic-level structure -: art. no. 224208

被引：231

作者：

Duan, G

Xu, DH

Zhang, Q

Zhang, GY

Cagin, T

Johnson, WL

Goddard, WA

机构：

[1] CALTECH, WM Keck Lab Engn Mat, Pasadena, CA 91125 USA

[2] CALTECH, Mat & Proc Simulat Ctr, Pasadena, CA 91125 USA

[3] Texas A&M Univ, Dept Chem Engn, College Stn, TX 77845 USA

来源：

PHYSICAL REVIEW B | 2005年 / 71卷 / 22期

关键词：

D O I：

10.1103/PhysRevB.71.224208

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We have identified a binary bulk metallic glass forming alloy Cu46Zr54 by analyzing the structure and thermal behaviors of copper mold cast samples using x-ray diffraction, transmission electron microscopy, and differential scanning calorimeter. Motivated by these experimental results, we fitted the effective Rosato-Guillope-Legrand-type force field parameters for the binary Cu-Zr alloy system and the atomistic description of glass formation and structure analysis of the Cu46Zr54 alloy based on molecular dynamics simulation will be also presented.

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页数：9

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