HAL - INRIA :: [inria-00282107, version 2] Finite-temperature coarse-graining of one-dimensional models: mathematical analysis and computational approaches

inria-00282107, version 2

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<author><persName><forename>Xavier</forename><surname>Blanc</surname></persName>
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<orgName type="institution">Ecole Nationale des Ponts et Chaussées</orgName>
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<affiliation>
<orgName type="laboratory">LJLL</orgName>
<orgName type="team">Laboratoire Jacques-Louis Lions</orgName>
<country>FR</country>
<orgName type="institution">CNRS : UMR7598</orgName>
<orgName type="institution">Université Pierre et Marie Curie - Paris VI</orgName>
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<author><persName><forename>Claude</forename><surname>Le Bris</surname></persName>
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<author><persName><forename>Frederic</forename><surname>Legoll</surname></persName>
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<orgName type="laboratory">LAMI</orgName>
<orgName type="team">Laboratoire d'Analyse des Matériaux et Identification</orgName>
<country>FR</country>
<orgName type="institution">Institut Navier</orgName>
<orgName type="institution">LCPC</orgName>
<orgName type="institution">Ecole Nationale des Ponts et Chaussées</orgName>
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<author><persName><forename>Carsten</forename><surname>Patz</surname></persName>
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<orgName type="team">WIAS Berlin</orgName>
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<title type="main" level="m">Finite-temperature coarse-graining of one-dimensional models: mathematical analysis and computational approaches</title><title type="main" level="m">Finite-temperature coarse-graining of one-dimensional models: mathematical analysis and computational approaches</title><imprint><biblScope type="publicationDate">2008</biblScope></imprint></monogr><idno type="HALid">http://hal.inria.fr/inria-00282107/en/</idno><idno type="HALFile">http://hal.inria.fr/inria-00282107/PDF/RR-6544.pdf</idno></biblStruct>
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Finite-temperature coarse-graining of one-dimensional models: mathematical analysis and computational approaches

Xavier Blanc ^1, 2, Claude Le Bris (

) ^1, 3, Frederic Legoll (

) ^1, 4, Carsten Patz ⁵

(2008)

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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.

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

Domain

Mathematics/Numerical Analysis

Internal note : 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