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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.
https://hal.inria.fr/inria-00282107
Contributor : Frederic Legoll Connect in order to contact the contributor
Submitted on : Wednesday, May 28, 2008 - 1:05:16 PM
Last modification on : Friday, February 4, 2022 - 3:13:22 AM
Long-term archiving on: : Tuesday, September 21, 2010 - 4:47:06 PM
Contributor : Frederic Legoll Connect in order to contact the contributor
Submitted on : Wednesday, May 28, 2008 - 1:05:16 PM
Last modification on : Friday, February 4, 2022 - 3:13:22 AM
Long-term archiving on: : Tuesday, September 21, 2010 - 4:47:06 PM
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RR-6544.pdf
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