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Rapport (Rapport De Recherche) Année : 2008

Finite-temperature coarse-graining of one-dimensional models: mathematical analysis and computational approaches

Résumé

We present a possible approach for the computation of free energies and ensemble averages of one-dimensional coarse-grained models in materials science. The approach is based upon a thermodynamic limit process, and makes use of ergodic theorems and large deviations theory. In addition to providing a possible efficient computational strategy for ensemble averages, the approach allows for assessing the accuracy of approximations commonly used in practice.
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Dates et versions

inria-00282107 , version 1 (26-05-2008)
inria-00282107 , version 2 (28-05-2008)

Identifiants

  • HAL Id : inria-00282107 , version 1

Citer

Xavier Blanc, Claude Le Bris, Frédéric Legoll, Carsten Patz. Finite-temperature coarse-graining of one-dimensional models: mathematical analysis and computational approaches. [Research Report] RR-6544, 2008. ⟨inria-00282107v1⟩

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