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

Abstract : 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.
Type de document :
Article dans une revue
Journal of Nonlinear Science, Springer Verlag, 2010, 20 (2), pp.241-275


https://hal.inria.fr/inria-00282107
Contributeur : Frederic Legoll <>
Soumis le : mercredi 28 mai 2008 - 13:05:16
Dernière modification le : mercredi 12 octobre 2016 - 01:17:04
Document(s) archivé(s) le : mardi 21 septembre 2010 - 16:47:06

Fichier

RR-6544.pdf
Fichiers produits par l'(les) auteur(s)

Identifiants

  • HAL Id : inria-00282107, version 2

Citation

Xavier Blanc, Claude Le Bris, Frédéric Legoll, Carsten Patz. Finite-temperature coarse-graining of one-dimensional models: mathematical analysis and computational approaches. Journal of Nonlinear Science, Springer Verlag, 2010, 20 (2), pp.241-275. <inria-00282107v2>

Exporter

Partager

Métriques

Consultations de
la notice

341

Téléchargements du document

117