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Structures of phase IV rubidium nitrate, RbNO3, and phase II caesium nitrate, CsNO3

✍ Scribed by Dean, C. ;Hambley, T. W. ;Snow, M. R.

Book ID
119770973
Publisher
International Union of Crystallography
Year
1984
Tongue
English
Weight
441 KB
Volume
40
Category
Article
ISSN
0108-2701

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Molecular Dynamics Simulation of Structu
Molecular Dynamics Simulation of Structural Phase Transitions in RbNO3 and CsNO3
✍ Jianjun Liu; Chun-gang Duan; M.M. Ossowski; W.N. Mei; R.W. Smith; J.R. Hardy πŸ“‚ Article πŸ“… 2001 πŸ› Elsevier Science 🌐 English βš– 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