EarthRef.org Reference Database (ERR)
Development and Maintenance by the EarthRef.org Database Team

Detailed Reference Information
Reynard et al. 1992
Reynard, B., Price, G.D. and Gillet, P. (1992). Thermodynamic and anharmonic properties of forsterite, a-Mg2SiO4: Computer modelling versus high-pressure and high-temperature measurements. Journal of Geophysical Research 97: doi: 10.1029/92JB01554. issn: 0148-0227.

Self-consistent minimum free-energy calculations of the structure and lattice dynamics of forsterite at high pressure (up to 30 GPa) and high temperature (up to 1850 K) have been performed using an approach based on the Born model of solids. In the free-energy minimization procedure, lattice dynamics and thermodynamic properties are calculated self-consistently within the quasi-harmonic approximation (QHA). The results of the free-energy minimizations are compared with recent spectroscopic studies of forsterite at high pressure and high temperature. The predicted variations of mode frequencies with comprssion are consistent with those obtained from high-pressure spectroscopy. On the other hand, the variations with temperature are underestimated. Because the variations of lattice dynamics with pressure are related to anharmonic properties such as the Gruneisen parameter and thermal expansion, it is concluded that most of the extrinsic (i.e., volume dependent) anharmonicity can be accounted for within the QHA. On the other hand, the variations of the lattice dynamics with temperature also include intrinsic (i.e., volume free) anharmonic effects, which are not accounted for in the QHA. In forsterite, these effects become significant for thermodynamic properties (heat capacities and thermal expansion) above 1200 K. ¿ American Geophysical Union 1992

BACKGROUND DATA FILES

Abstract

Keywords
Mineral Physics, High-pressure behavior, Mineral Physics, Physical thermodynamics, Mineral Physics, Equations of state, Mineral Physics, Thermal expansivity
Journal
Journal of Geophysical Research
http://www.agu.org/journals/jb/
Publisher
American Geophysical Union
2000 Florida Avenue N.W.
Washington, D.C. 20009-1277
USA
1-202-462-6900
1-202-328-0566
service@agu.org
Click to clear formClick to return to previous pageClick to submit