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inria-00282107, version 2

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

Xavier Blanc 12, Claude Le Bris () 13, Frédéric Legoll (, http://navier.enpc.fr/LEGOLL-Frederic) 145, Carsten Patz 6

Journal of Nonlinear Science 20, 2 (2010) 241-275

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.

  • Domain : Mathematics/Numerical Analysis
  • Internal note : RR-6544
  • Comment : Published in "Journal of Nonlinear Science" – 2010 – vol. 20 – no 2 – p. 241-275 http://hal-enpc.archives-ouvertes.fr/hal-00625882/fr/
  • Available versions :  v1 (2008-05-26) v2 (2008-05-28)
 
  • inria-00282107, version 2
  • oai:hal.inria.fr:inria-00282107
  • From: 
  • Submitted on: Wednesday, 28 May 2008 13:05:16
  • Updated on: Friday, 23 September 2011 10:45:32
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