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Potentials for Molecular Dynamics Simulation of Silicate Glasses |
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| Authors: | B. Vessal M. Amini M. Leslie C. R. A. Catlow |
| Affiliation: | 1. Department of Chemistry , University of Keele , Keele, Staffs. , ST5 5BG , UK;2. The Atlas Centre, Rutherford Appleton Laboratory , Chilton, Didcot , Oxfordshire , OX11 OQX , UK;3. Department of Physics , Isfahan University of Technology , Isfahan , Iran;4. Daresbury Laboratory , Warrington , WA4 4AD , UK;5. The Royal Institution of Great Britain , 21 Albemarle Street, London , W1X 4BS , UK |
| Abstract: | A new potential model has been developed for the simulation of amorphous silica based on the ab initio potential model of Pyper. This model promises to be of value in the simulation of silica at high pressures. |
| Keywords: | Silica ab initio potential high pressure |