Dynamic approximation of thermodynamic properties by means of local models
β Scribed by T. Ledent; G. Heyen
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 533 KB
- Volume
- 18
- Category
- Article
- ISSN
- 0098-1354
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π SIMILAR VOLUMES
## Abstract We approximate, in the sense of Ξβconvergence, free discontinuity functionals with linear growth by a sequence of nonβlocal integral functionals depending on the average of the gradient on small balls. The result extends to a higher dimension what is already proved in (__Ann. Mat. Pura
Umbrella samplmg" has been incorporated in the thermodynamic integration method to obtain a potential of mean force by slow growth molecular-dynamics simulations. The method was tested for liquid argon, for which good agreement was obtained with a standard potential of mean force, as derived from th