|Fitted for||Liquid magnesia|
This potential has been fitted for liquid magnesia structures at temperatures between 2000 and 5000 K and pressures between zero and 15 GPa.
This allows for accurate calculations of microstructural, thermodynamic and vibrational properties.
P. Beck, P. Brommer, J. Roth, and H.-R. Trebin
Ab initio based polarizable force field generation and application to liquid silica and magnesia
J. Chem. Phys 135, 234512 (2011).
IMD format: mgo.imd.bz2
potentials/mgo.txt · Last modified: 2018/09/19 17:48 by daniel