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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.
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https://hal.inria.fr/inria-00282107
Contributor : Frederic Legoll <>
Submitted on : Wednesday, May 28, 2008 - 1:05:16 PM
Last modification on : Wednesday, December 9, 2020 - 3:12:02 PM
Long-term archiving on: : Tuesday, September 21, 2010 - 4:47:06 PM

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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. ⟨10.1007/s00332-009-9057-y⟩. ⟨inria-00282107v2⟩

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