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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Journal of Nonlinear Science, Springer Verlag, 2010, 20 (2), pp.241-275
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  • HAL Id : inria-00282107, version 2

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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. 〈inria-00282107v2〉

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