Correlation between local structure of melts and glass forming ability for Fe78M9B13 (M=Nb, Si, and Zr) alloys

被引：21

作者：

Pan, S. P. ^{[1
]}

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

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

Yang, L. ^{[1
]}

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

机构：

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

来源：

JOURNAL OF APPLIED PHYSICS | 2009年 / 105卷 / 01期

基金：

中国国家自然科学基金;

关键词：

AUGMENTED-WAVE METHOD; MOLECULAR-DYNAMICS; DIFFRACTION; NB;

D O I：

10.1063/1.3041473

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The structures of Fe78M9B13 (M=Nb, Si, and Zr) melts have been studied by ab initio molecular dynamics simulation. The essential features of the structures are the same in these melts. Prism-type local atomic arrangements dominate around B atoms and icosahedral-like clusters are frequently found around Fe atoms. However, the structures of the three melts differ in the degree of structural distortion caused by introducing M atoms to the prisms. The structural and dynamical properties of these melts change with different M elements, suggesting that they are closely correlated with their glass formation. The degree of complexity of molten structure caused by the interactions among Fe, M, and B may play an important role in their glass forming ability. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3041473]

引用

页数：4

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