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Temperature-dependent structure evolution in liquid gallium | |
Xiong, LH; Wang, XD; Yu, Q; Zhang, H; Zhang, F; Sun, Y; Cao, QP; Xie, HL; Xiao, TQ; Zhang, DX; Wang, CZ; Ho, KM; Ren, Y; Jiang, JZ | |
2017 | |
Source Publication | ACTA MATERIALIA
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ISSN | 1359-6454 |
Volume | 128Pages:304-312 |
Subtype | 期刊论文 |
Abstract | Temperature-dependent atomistic structure evolution of liquid gallium (Ga) has been investigated by using in situ high energy X-ray diffraction experiment and ab initio molecular dynamics simulation. Both experimental and theoretical results reveal the existence of a liquid structural change around 1000 K in liquid Ga. Below and above this temperature the liquid exhibits differences in activation energy for self diffusion, temperature-dependent heat capacity, coordination numbers, density, viscosity, electric resistivity and thermoelectric power, which are reflected from structural changes of the bond-orientational order parameter Q(6), fraction of covalent dimers, averaged string length and local atomic packing. This finding will trigger more studies on the liquid-to-liquid crossover in metallic melts. (C) 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. |
Keyword | Structural Evolution Liquid Gallium Thermodynamical Properties X-ray Diffraction Ab Initio Molecular Dynamics |
DOI | 10.1016/j.actamat.2017.02.038 |
Indexed By | SCI |
Language | 英语 |
WOS ID | WOS:000397692600031 |
Citation statistics | |
Document Type | 期刊论文 |
Identifier | http://ir.sinap.ac.cn/handle/331007/27468 |
Collection | 中科院上海应用物理研究所2011-2020年 |
Recommended Citation GB/T 7714 | Xiong, LH,Wang, XD,Yu, Q,et al. Temperature-dependent structure evolution in liquid gallium[J]. ACTA MATERIALIA,2017,128:304-312. |
APA | Xiong, LH.,Wang, XD.,Yu, Q.,Zhang, H.,Zhang, F.,...&Jiang, JZ.(2017).Temperature-dependent structure evolution in liquid gallium.ACTA MATERIALIA,128,304-312. |
MLA | Xiong, LH,et al."Temperature-dependent structure evolution in liquid gallium".ACTA MATERIALIA 128(2017):304-312. |
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