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

DOI10.1007/s00332-009-9057-yzbMath1204.37081OpenAlexW2070255068MaRDI QIDQ5962229

Frédéric Legoll, Carsten Patz, Claude Le Bris, Xavier Blanc

Publication date: 21 September 2010

Published in: Journal of Nonlinear Science (Search for Journal in Brave)

Full work available at URL: https://hal.inria.fr/inria-00282107/file/RR-6544.pdf

zbMATH Keywords

thermodynamic limitlaw of large numbersmaterials sciencecanonical averagescoarse-grained modelsfree energieslarge deviations theory

Mathematics Subject Classification ID

Large deviations (60F10) Computational methods for ergodic theory (approximation of invariant measures, computation of Lyapunov exponents, entropy, etc.) (37M25)

Related Items (11)

Analysis of Transition State Theory Rates upon Spatial Coarse-Graining ⋮ Multiscale HDG model reduction method for flows in heterogeneous porous media ⋮ Thermalization of a driven bi-stable FPU chain ⋮ An analytical self-consistent solution for the free energy of a 1-D chain of atoms including anharmonic effects ⋮ Approximation of Crystalline Defects at Finite Temperature ⋮ Thermodynamic limit of the transition rate of a crystalline defect ⋮ On assessing the accuracy of defect free energy computations ⋮ Surface energy and boundary layers for a chain of atoms at low temperature ⋮ A Consistency Study of Coarse-Grained Dynamical ChainsthroughaNonlinearWaveEquationofMixed Type ⋮ Distribution of cracks in a chain of atoms at low temperature ⋮ Finite Temperature Cauchy--Born Rule and Stability of Crystalline Solids with Point Defects

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