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| HAL : hal-00511221, version 1 |
| arXiv : 1008.3792 |
| Fiche détaillée |  Récupérer au format |
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| Numerical analysis and multiscale computations, Engquist, Björn; Runborg, Olof; Tsai, Yen-Hsi R. (Eds.) (Ed.) (2012) 420 p. |
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| Some remarks on free energy and coarse-graining |
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| Frédéric Legoll 1, 2Tony Lelievre 1, 3 |
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| (2012) |
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| We present recent results on coarse-graining techniques for thermodynamic quantities (canonical averages) and dynamical quantities (averages of path functionals over solutions of overdamped Langevin equations). The question is how to obtain reduced models to compute such quantities, in the specific case when the functional to be averaged only depends on a few degrees of freedom. We mainly review, numerically illustrate and extend results from [3,18], concerning the computation of the stress-strain relation for one-dimensional chains of atoms, and the construction of an effective dynamics for a scalar coarse-grained variable when the complete system evolves according to the overdamped Langevin equation. |
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| 1 : | MICMAC (INRIA Paris - Rocquencourt) |
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Ecole des Ponts ParisTech – INRIA |
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| 2 : | Laboratoire Navier |
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Ecole des Ponts ParisTech – CNRS : UMR8205 – IFSTTAR |
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| 3 : | Centre d'Enseignement et de Recherche en Mathématiques et Calcul Scientifique (CERMICS) |
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Ecole des Ponts ParisTech |
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| Multi-échelle |
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| Domaine | : | Mathématiques/Probabilités Physique/Matière Condensée/Mécanique statistique |
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| coupling methods - domain decomposition - fast algorithms - homogenization - multiscale |
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| Lien vers le texte intégral : |
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| http://fr.arXiv.org/abs/1008.3792 |
| hal-00511221, version 1 | |
| http://hal.archives-ouvertes.fr/hal-00511221 | |
| oai:hal.archives-ouvertes.fr:hal-00511221 | |
| Contributeur : Tony Lelievre | |
| Soumis le : Mardi 24 Août 2010, 10:53:34 | |
| Dernière modification le : Mardi 18 Octobre 2011, 10:45:49 | |
