The deformable stochastic boundary method developed previously for &eating simple hquids without periodic bounky conditions., is extended to the ST:! model of water. The method is illustrated by a molecular dynamics simulation of a sphere containing 98 water molecules. Comparison with the results of
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Variational boundary conditions for molecular dynamics simulations: Treatment of the loading condition
β Scribed by Xiantao Li
- Publisher
- Elsevier Science
- Year
- 2008
- Tongue
- English
- Weight
- 623 KB
- Volume
- 227
- Category
- Article
- ISSN
- 0021-9991
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