Structures of liquid aluminium under high pressure

Citation
H. Li et al., Structures of liquid aluminium under high pressure, CHIN PHYS L, 18(4), 2001, pp. 495-497
Citations number
16
Categorie Soggetti
Physics
Journal title
CHINESE PHYSICS LETTERS
ISSN journal
0256307X → ACNP
Volume
18
Issue
4
Year of publication
2001
Pages
495 - 497
Database
ISI
SICI code
0256-307X(200104)18:4<495:SOLAUH>2.0.ZU;2-6
Abstract
Molecular dynamics simulation has been carried out for melt Al under consta nt temperature and constant pressure. The interaction between atoms is desc ribed by tight-binding many-body potentials based on the second-moment appr oximation to the electronic density of states. The pair correlation functio n and the pair analysis technique are used to reveal the structural feature s of liquid Al under normal and high pressure. High pressure is favourable to the existence of bcc clusters 1661 and 1441, but has no effect on the fe e cluster 1421. The bond pair 1551 and 1541 with fivefold symmetry exists a t high pressure. The microstructure of liquid is more similar to the non-cr ystalline structure than to the crystalline structure. The simulation resul ts are supported by the x-ray experimental results.