Mathematical modeling of point defects in materials science
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Cites work
- A Definition of the Ground State Energy for Systems Composed of Infinitely Many Particles
- A new approach to the modeling of local defects in crystals: The reduced Hartree-Fock case
- A numerical approach related to defect-type theories for some weakly random problems in homogenization
- A possible homogenization approach for the numerical simulation of periodic microstructures with defects
- A reduced basis approach for some weakly stochastic multiscale problems
- A Simplification of the Hartree-Fock Method
- An asymptotic expansion for the density of states of a random Schrödinger operator with Bernoulli disorder
- Elements of mathematical foundations for numerical approaches for weakly random homogenization problems
- Existence of a stable polarized vacuum in the Bogoliubov-Dirac-Fock approximation
- Existence of minimizers for Kohn-Sham models in quantum chemistry
- Existence of the thermodynamic limit for disordered quantum Coulomb systems
- Homogenization of a weakly randomly perturbed periodic material
- Homogenization structures and applications. I
- Homogenization structures and applications. II
- scientific article; zbMATH DE number 3622441 (Why is no real title available?)
- scientific article; zbMATH DE number 1151368 (Why is no real title available?)
- Local defects are always neutral in the Thomas-Fermi-von Weiszäcker theory of crystals
- Numerical approximation of a class of problems in stochastic homogenization
- On the thermodynamic limit for Hartree-Fock type models
- Proof of the ionization conjecture in a reduced Hartree-Fock model
- Properties of periodic Hartree-Fock minimizers
- Solutions of Hartree-Fock equations for Coulomb systems
- Stochastic homogenization and random lattices
- The constitution of matter: existence of thermodynamics for systems composed of electrons and nuclei.
- The dielectric permittivity of crystals in the reduced Hartree-Fock approximation
- The energy of some microscopic stochastic lattices
- The existence of the thermodynamic limit for the system of interacting quantum particles in random media
- The mean-field approximation in quantum electrodynamics: The no-photon case
- The thermodynamic limit for a crystal
- The thermodynamic limit of quantum Coulomb systems. I: General theory
- The Thomas-Fermi theory of atoms, molecules and solids
- Unique solutions to Hartree-Fock equations for closed shell atoms
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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