potentials:sio
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Potentials: SiO
Summary table
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 |
Details
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.
Reference
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
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potfit: sio2.potfit.pot
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potentials/sio.1362470556.txt.gz ยท Last modified: 2013/03/05 09:02 by daniel