MATHEMATICAL MODELING OF POINT DEFECTS IN MATERIALS SCIENCE

DOI10.1142/S0218202513500528zbMath1282.35035MaRDI QIDQ2868590

Eric Cancès, Claude Le Bris

Publication date: 17 December 2013

Published in: Mathematical Models and Methods in Applied Sciences (Search for Journal in Brave)

zbMATH Keywords

periodicityrenormalizationatomistic modelselectronic structure modelsmultiscale science

Mathematics Subject Classification ID

Homogenization in context of PDEs; PDEs in media with periodic structure (35B27) Research exposition (monographs, survey articles) pertaining to partial differential equations (35-02)

Related Items (13)

Analysis of boundary conditions for crystal defect atomistic simulations ⋮ A Hölder estimate for non-uniform elliptic equations in a random medium ⋮ Homogenization of Liouville equations beyond a stationary ergodic setting ⋮ Homogenization of Schrödinger equations. Extended effective mass theorems for non-crystalline matter ⋮ Examples of computational approaches for elliptic, possibly multiscale PDEs with random inputs ⋮ Fast tensor method for summation of long‐range potentials on 3D lattices with defects ⋮ Locality of interatomic interactions in self-consistent tight binding models ⋮ Thermodynamic limit of crystal defects with finite temperature tight binding ⋮ Modelling with measures: approximation of a mass-emitting object by a point source ⋮ QM/MM Methods for Crystalline Defects. Part 1: Locality of the Tight Binding Model ⋮ Point defects in tight binding models for insulators ⋮ Geometry equilibration of crystalline defects in quantum and atomistic descriptions ⋮ Decay of entropy solutions of a scalar conservation law beyond a stationary ergodic setting

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