Temperature-dependent structure evolution in liquid gallium

doi:10.1016/j.actamat.2017.02.038

CAS OpenIR > 中科院上海应用物理研究所2011-2018年

	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
发表期刊	ACTA MATERIALIA
ISSN	1359-6454
卷号	128 页码:304-312
文章类型	期刊论文
摘要	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.
关键词	Structural Evolution Liquid Gallium Thermodynamical Properties X-ray Diffraction Ab Initio Molecular Dynamics
DOI	10.1016/j.actamat.2017.02.038
收录类别	SCI
语种	英语
WOS记录号	WOS:000397692600031
引用统计	被引频次：16[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.sinap.ac.cn/handle/331007/27468
专题	中科院上海应用物理研究所2011-2018年
推荐引用方式 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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