首页|Structure and dynamical properties during solidification of liquid aluminum induced by cooling and compression

Structure and dynamical properties during solidification of liquid aluminum induced by cooling and compression

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The structural transformation from a liquid into a crystalline solid is an important subject in condensed matter physics and materials science.In the present study,first-principles molecular dynamics calculations are performed to investigate the structure and properties of aluminum during the solidification which is induced by cooling and compression.In the cooling process and compression process,it is found that the icosahedral short-range order is initially enhanced and then begin to decay,the face-centered cubic short-range order eventually becomes dominant before it transforms into a crystalline solid.

first-principles methodmolecular dynamicsshort-range orderliquid aluminum

吴旻、杨永琪、王垚

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College of Materials Science and Engineering,Zhejiang University of Technology,Hangzhou 310014,China

Shaoxing Research Institute,Zhejiang University of Technology,Shaoxing 312000,China

National Natural Science Foundation of ChinaFoundation of the State Key Laboratory of Coal Conversion,China

51701180J22-23-103

2024

中国物理B(英文版)
中国物理学会和中国科学院物理研究所

中国物理B(英文版)

CSTPCDEI
影响因子:0.995
ISSN:1674-1056
年,卷(期):2024.33(7)
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