A molecular dynamics study of the lattice vibrations of sodium chloride
- 1 January 1975
- journal article
- Published by EDP Sciences in Journal de Physique Lettres
- Vol. 36 (4) , 97-100
- https://doi.org/10.1051/jphyslet:0197500360409700
Abstract
The classical method of molecular dynamics has been used to study the properties of a periodically-repeating system of 216 ions in the NaCl-type lattice. For the interionic pair potential we adopt the rigid-ion model of Tosi and Fumi. Results are reported for the dynamical structure factor and other properties of NaCl at 80, 302, 954 and 1153 K, and comparison is made with the predictions of quasi-harmonic lattice dynamicsKeywords
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