Calculation of a high-pressure equation of state from low-pressure properties

Details Calculation of a high-pressure equation of state from low-pressure properties Calculation of a high-pressure equation of state from low-pressure properties

Sep 1989

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1989pepi...56..311b&link_type=abstract

Physics of the Earth and Planetary Interiors, Volume 56, Issue 3-4, p. 311-315.

Physics

3

Scientific paper

Values of the isochoric temperature dependence of isothermal incompressibility, (∂KT/∂T)V, are calculated for a monatomic face-centred cubic crystal, using the method of molecular dynamics and several assumed atomic potential functions. We argue that, for materials for which this quantity is experimentally determined at laboratory pressure, a high-pressure equation of state can be obtained from an appropriate combination of these potential functions, chosen to match the laboratory observations.

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