Temperature-induced structural evolution in liquid Sn85Zn15 eutectic alloy

被引：14

作者：

Chen, X. ^{[1
]}

Yu, Q. ^{[1
]}

Su, Y. ^{[1
]}

Wang, X. D. ^{[1
]}

Cao, Q. P. ^{[1
]}

Zhang, D. X. ^{[2
]}

Jiang, J. Z. ^{[1
]}

机构：

[1] Zhejiang Univ, Sch Mat Sci & Engn, ICNSM, Lab New Struct Mat,State Key Lab Silicon Mat, Hangzhou 310027, Zhejiang, Peoples R China

[2] Zhejiang Univ, State Key Lab Modern Opt Instrumentat, Hangzhou 310027, Zhejiang, Peoples R China

来源：

SCRIPTA MATERIALIA | 2018年 / 148卷

基金：

中国国家自然科学基金;

关键词：

Structural transition; Metallic liquid; X-ray diffraction; ab initio molecular dynamics; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; PHASE-TRANSITION; METALS; VITRIFICATION; DYNAMICS;

D O I：

10.1016/j.scriptamat.2018.01.027

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

Temperature-dependent atomistic structural evolution in liquid Sn85Zn15 eutectic alloy has been investigated by using in situ high energy X-ray diffraction and ab initio molecular dynamics simulations. We reveal a structural crossover at around 900 K in liquid Sn85Zn75 eutectic alloy, below and above which the liquids exhibit different changes in first peak position shifts on S(q) and G(r) curves, the nearest coordination number and activation energies for self-diffusion. This structural crossover is likely ascribed to the spatial connectivity variation of local clusters. Our finding will trigger more studies on the liquid-to-liquid structural transition in metallic liquids. (C) 2018 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

引用

页码：68 / 72

页数：5

共 31 条

[1] PROJECTOR AUGMENTED-WAVE METHOD [J].