Polar Solids at High Pressure: NaF
- 1 January 1992
- journal article
- research article
- Published by Taylor & Francis in Molecular Simulation
- Vol. 9 (2), 161-169
- https://doi.org/10.1080/08927029208050608
Abstract
Atomistic simulation techniques are used to obtain an equation of state for NaF at elevated temperatures and high pressures: phases with the NaCl and CsCl structures are considered. Two-body potentials and a simple shell model are employed within the quasiharmonic approximation. Calculated and theoretical isotherms and Hugoniots are compared, and other important thermodynamic properties are examined.Keywords
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