Chain structure of liquid Se at high temperature and pressure investigated by ab initio molecular dynamics simulations

Article ID	Journal	Published Year	Pages	File Type
1482340	Journal of Non-Crystalline Solids	2012	7 Pages	PDF

Abstract

âº The chain structure of crystalline Se reserves in liquid state. âº Twofold coordinated configuration prevails in liquid Se at high temperature but decreases steadily with the increase of density. âº The Peierls-type distortion reserves in liquid Se at high temperature and pressure.

Keywords

Chain structure Molecular dynamics simulation

Related Topics

Physical Sciences and Engineering Materials Science Ceramics and Composites

Preview

Chain structure of liquid Se at high temperature and pressure investigated by ab initio molecular dynamics simulations

Authors

Y.B. Wang, W.S. Dong, G. Zhao, J.X. Ding, S.H. Li, Y.J. Ge,