๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Invariant molecular-dynamics approach to structural phase transitions

โœ Scribed by Wentzcovitch, Renata M.


Book ID
118049064
Publisher
The American Physical Society
Year
1991
Tongue
English
Weight
206 KB
Volume
44
Category
Article
ISSN
1098-0121

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Molecular Dynamics Simulation of Structu
โœ Jianjun Liu; Chun-gang Duan; M.M. Ossowski; W.N. Mei; R.W. Smith; J.R. Hardy ๐Ÿ“‚ Article ๐Ÿ“… 2001 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 398 KB

Structural phase transitions in RbNO 3 and CsNO 3 are studied by molecular dynamics. The simulations are based on the parameter-free potentials calculated from the Gordon+Kim modi5ed electron gas formalism, extended to ionic molecular crystals. The microscopic mechanism of the structural phase trans