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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.
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Allan et al. (1992) studied this question.
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