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

Published in "Journal of Nonlinear Science", 2010, vol. 20, no 2, p. 241-275 http://hal-enpc.archives-ouvertes.fr/hal-00625882/fr/; International audience; 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.