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The phase diagram of CsNO3–RbNO3

✍ Scribed by S. Wacharine; D. Hellali; H. Zamali; J. Rogez; M. Jemal

Book ID
106447946
Publisher
Springer Netherlands
Year
2011
Tongue
English
Weight
320 KB
Volume
107
Category
Article
ISSN
0022-5215

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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