CAS OpenIR  > 中科院上海应用物理研究所2011-2020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
Source PublicationACTA MATERIALIA
AbstractTemperature-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.
KeywordStructural Evolution Liquid Gallium Thermodynamical Properties X-ray Diffraction Ab Initio Molecular Dynamics
Indexed BySCI
WOS IDWOS:000397692600031
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Document Type期刊论文
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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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