| inria-00282107, version 2 |
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| 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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| 1: | MICMAC (INRIA Rocquencourt) |
| INRIA – Ecole Nationale des Ponts et Chaussées | |
| 2: | Laboratoire Jacques-Louis Lions (LJLL) |
| CNRS : UMR7598 – Université Pierre et Marie Curie - Paris VI | |
| 3: | Centre d'Enseignement et de Recherche en Mathématiques, Informatique et Calcul Scientifique (CERMICS) |
| INRIA – Ecole Nationale des Ponts et Chaussées | |
| 4: | Laboratoire d'Analyse des Matériaux et Identification (LAMI) |
| Institut Navier – LCPC – Ecole Nationale des Ponts et Chaussées | |
| 5: | WIAS Berlin |
| WIAS Berlin |
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| Domain | : | Mathematics/Numerical Analysis |
| RR-6544 |
| Available versions: | v1 (2008-05-26) | v2 (2008-05-28) |
| inria-00282107, version 2 | |
| http://hal.inria.fr/inria-00282107/en/ | |
| oai:hal.inria.fr:inria-00282107_v2 | |
| From: Frederic Legoll | |
| Submitted on: Wednesday, 28 May 2008 13:05:16 | |
| Updated on: Wednesday, 28 May 2008 14:43:06 | |