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An equation of state for MgO is calculated for conditions of high pressure and temperature using atomistic simulations within the quasiharmonic approximation with two-body potentials and a simple shell model. It is shown that experimental Hugoniot data can be reproduced accurately; other important properties are also examined including various quantities of geophysical interest. Results for the Helmholtz free energy and internal energy surfaces A(V,T) and U(V,T) are presented in parametrized form.
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Allan et al. (1991) studied this question.
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