Physics
Scientific paper
Oct 2001
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2001pepi..125..141m&link_type=abstract
Physics of the Earth and Planetary Interiors, Volume 125, Issue 1-4, p. 141-146.
Physics
1
Scientific paper
Molecular dynamics (MD) simulation with realistic and accurate potential models, previously obtained for Mg2SiO4 polymorphs, MgO periclase and MgSiO3 polymorphs, is used to predict the density and bulk sound velocity jumps in the phase transformation from Mg2SiO4 spinel to MgSiO3 perovskite plus MgO periclase at high-temperature and high-pressure conditions corresponding to the 660km seismic discontinuity in the mantle. The simulated density and bulk sound velocity jumps are then compared with seismological models reported for the 660km discontinuity. The MD simulation for a pyrolite composition (60vol.% spinel) is found to be compatible with a recent model SF99 [Shearer and Flanagan, Science 285 (1999) 1545] within nearly 1σ limit for both density and bulk sound velocity jumps. The MD-simulated bulk sound velocity jump for a piclogite composition (40vol.% spinel) is also consistent with SF99 within 1σ, while the MD density jump for the piclogite lies outside the SF99 data. Our MD computed density and bulk sound velocity jumps, either for the pyrolite or the piclogite composition, differ substantially from the values by the PREM or the ak135 model.
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