Physics
Scientific paper
Dec 1982
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1982jgr....8710763j&link_type=abstract
Journal of Geophysical Research, vol. 87, Dec. 10, 1982, p. 10763-10772. Research supported by the Alfred P. Sloan Foundatio
Physics
14
Crystal Structure, Mineralogy, Planetary Evolution, Pressure Effects, Thermodynamic Properties, Continuum Mechanics, Gruneisen Constant, High Pressure, Interatomic Forces
Scientific paper
Available high pressure data, as well as simple ionic models based on either a molecular approach or crystal-independent potentials applied to the NaCl-CsCl structure transition, support the hypothesis that thermodynamic properties resulting from anharmonicity in minerals decrease with pressure, but should increase across high pressure phase transitions. The enhanced anharmonicity of the high pressure phase is caused by the increase in first neighbor interatomic distance with a coordination change. The Grueneisen parameter and coefficient of thermal expansion are expected to increase by 20-50% across transitions involving changes from fourfold to sixfold and from sixfold to eightfold coordination in halides and oxides. Lower mantle phases are therefore expected to exhibit relatively large thermal expansion coefficients.
Jeanloz Raymond
Roufosse Micheline
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