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

作     者：吴旻 杨永琪 王垚 Min Wu;Yong-Qi Yang;Yao Wang

作者机构：College of Materials Science and EngineeringZhejiang University of TechnologyHangzhou 310014China Shaoxing Research InstituteZhejiang University of TechnologyShaoxing 312000China 

出 版 物：《Chinese Physics B》 (中国物理B（英文版）)

年 卷 期：2024年第33卷第7期

页      面：476-481页

核心收录：

学科分类：07[理学] 070205[理学-凝聚态物理] 0702[理学-物理学] 

基　　金：Project supported by the National Natural Science Foundation of China(Grant No.51701180) the Foundation of the State Key Laboratory of Coal Conversion,China(Grant No.J22-23-103) 

主　　题：first-principles method molecular dynamics short-range order liquid aluminum 

摘      要：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.