Mathematical modeling of point defects in materials science
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The paper surveys recent mathematical work related to the modeling of defects in materials science at different scales. Using a very accessible style, the authors make the readers travel through standard topics like periodic and random homogenization to less standard issues like ``modeling the defects (deterministically, randomly, deviating or not from periodic settings) at the atomistic level or at higher scales. The focus is very much on crystals and their deviations from perfect structures.NEWLINENEWLINEThe exposition is pedagogic and written in an elementary style.
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Cited in
(18)- Examples of computational approaches for elliptic, possibly multiscale PDEs with random inputs
- Thermodynamic limit of crystal defects with finite temperature tight binding
- Locality of interatomic interactions in self-consistent tight binding models
- Decay of entropy solutions of a scalar conservation law beyond a stationary ergodic setting
- Homogenization of Liouville equations beyond a stationary ergodic setting
- Modelling with measures: approximation of a mass-emitting object by a point source
- QM/MM methods for crystalline defects. I: Locality of the tight binding model
- Analysis of boundary conditions for crystal defect atomistic simulations
- Point defects in tight binding models for insulators
- A Hölder estimate for non-uniform elliptic equations in a random medium
- scientific article; zbMATH DE number 1348400 (Why is no real title available?)
- Regularity and locality of point defects in multilattices
- scientific article; zbMATH DE number 1567818 (Why is no real title available?)
- Geometry equilibration of crystalline defects in quantum and atomistic descriptions
- Fast tensor method for summation of long-range potentials on 3D lattices with defects.
- Homogenization of Schrödinger equations. Extended effective mass theorems for non-crystalline matter
- Mathematical Approaches for Contemporary Materials Science: Addressing Defects in the Microstructure
- Approximations of the Green's function in multiple scattering theory for crystalline systems
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