| Potential name | SiO2 |
|---|---|
| Format | analytic |
| Interaction | dipole |
| Elements | Si, O |
| Reference | http://link.aip.org/link/doi/10.1063/1.3668603 |
| Fitted for | Liquid silica |
This potential has been fitted for liquid silica structures at temperatures between 2000 and 4000 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).
Abstract
potfit: sio2.potfit.pot
IMD format: sio2.imd.bz2