Molecular dynamics modeling of stishovite

Physics

Scientific paper

Rate now

  [ 0.00 ] – not rated yet Voters 0   Comments 0

Details

7

Scientific paper

A Morse-stretch potential charge equilibrium force field for silica system has been employed to simulate the thermodynamics of stishovite with the molecular dynamics (MD) method. The equation of state, thermal expansivity and melting curve of stishovite have been obtained. This simple force field yielded results in accordance with the static and dynamic experiments. The stishovite melting simulation appears to validate the interpretation of superheating of the solid along the Hugoniot in the shock melting experiments. MD simulations show that the thermal expansivity of stishovite at lowermost mantle conditions is a weak function of temperature. The phase diagram of silica up to the mega bar regime is proposed based on the experimental and theoretical studies. The related physical and geophysical implications are addressed.

No associations

LandOfFree

Say what you really think

Search LandOfFree.com for scientists and scientific papers. Rate them and share your experience with other people.

Rating

Molecular dynamics modeling of stishovite does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Molecular dynamics modeling of stishovite, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Molecular dynamics modeling of stishovite will most certainly appreciate the feedback.

Rate now

     

Profile ID: LFWR-SCP-O-1677964

  Search
All data on this website is collected from public sources. Our data reflects the most accurate information available at the time of publication.