Abstract
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.
基金项目
National Natural Science Foundation of China(51701180)
Foundation of the State Key Laboratory of Coal Conversion,China(J22-23-103)
NETL
NSTL
万方数据