The temperature-pressure-volume equation of state of .GAMMA.-Mg2SiO4

Accession number;04A0674188
Title;The temperature-pressure-volume equation of state of .GAMMA.-Mg2SiO4
Author; MATSUI M (Univ. Hyogo, Hyogo, Jpn) KATSURA T (Okayama Univ., Tottori, Jpn)
Journal Title;J Mineral Petrol Sci
Journal Code:G0150B
ISSN:1345-6296
VOL.99;NO.2;PAGE.72-75(2004)
Figure&Table&Reference;FIG.1, TBL.2, REF.20
Pub. Country;Japan
Language;English
Abstract;Based on breathing-shell-model MD simulations with quantum correction, we calculated the temperature-pressure-volume (T-P-V) equation of state (EOS) of .GAMMA.-Mg2SiO4 to be used as a reliable pressure calibration standard at temperatures up to 2000K and pressures up to 25-30GPa. The simulations use empirical interionic potentials, previously developed for the Mg2SiO4 system to reproduce accurately measured structural and elastic properties. The potentials are applicable not only to .GAMMA.-Mg2SiO4, but also to .ALPHA.- and .BETA.-Mg2SiO4 over wide temperature and pressure ranges. We assessed the accuracy of the resulting T-P-V EOS of .GAMMA.-Mg2SiO4, by using the recently reported data on simultaneous X-ray measurements of MgO and .GAMMA.-Mg2SiO4, performed by using synchrotron radiation in a multi-anvil apparatus at high temperatures and pressures. We found that pressures estimated through the MgO EOS presented by Matsui et al. (2000) and those for the .GAMMA.-Mg2SiO4EOS agree very well, with the average differences in the estimated pressures between the two EOS's less than 0.3GPa at T between 1500 and 2000K and P between 19 and 23GPa. (author abst.)
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