Correlation between local structure of melts and glass forming ability for Al-based alloys: A first-principles study

被引：20

作者：

Gu, T. K. ^{[1
]}

Qin, J. Y. ^{[1
]}

Bian, X. F. ^{[1
]}

机构：

[1] Shandong Univ, Minist Educ, Key Lab Liquid Struct & Heredit Mat, Jinan 250061, Peoples R China

来源：

APPLIED PHYSICS LETTERS | 2007年 / 91卷 / 08期

基金：

中国国家自然科学基金;

关键词：

D O I：

10.1063/1.2773741

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The structures of several well-selected Al70Fe20EM10 (EM=Ti, Zr, Hf, V, and Cr) melts are investigated by first-principles method. The structural and dynamical properties of these melts, which change evidently with the addition of different EM elements, are closely correlated with the ease of their glass formation as observed in experiment. The interaction among EM, Al, and Fe plays an important role in their glass forming ability. Based on these results, the authors suggest that it should be possible to select energetic additive elements ahead of experiment for multicomponent metallic glasses by first-principles simulation on their molten structures.

引用

页数：3

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