Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule

Author:

Boisen M. B.,Gibbs G. V.,Bukowinski M. S. T.

Publisher

Springer Science and Business Media LLC

Subject

Geochemistry and Petrology,General Materials Science

Reference27 articles.

1. Allan DC, Teter MP (1990) Local density approximation total energy calculations for silica and titania structure and defects. J Am Cer Soc 73:3247–3250

2. Beest BWH van, Kramer GJ, Santen RA van (1990) Force fields for silicas and aluminophosphates based on ab initio calculations. Phys Rev Lett 64:1955–1958

3. Boisen Jr. MB, Gibbs GV (1990) Mathematical Crystallography, Revised Edition, Rev Mineral Vol 15. 460 pp. Mineral Soc Am, Washington, D.C.

4. Boisen MB, Gibbs GV (1993) A modeling of the structure and compressibility of quartz with a molecular potential and its transferability to cristobalite and coesite. Phys Chem Minerals 20:123–135

5. Boisen Jr. MB, Gibbs GV, Downs RT, D'Arco P (1990) The dependence of the SiO bond length on structural parameters in coesite, the silica polymorphs and the clathrasils. Am Mineral 75:748–754

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