Atomistic to Continuum limits for computational materials science
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Recommendations
- Multiscale methods coupling atomistic and continuum mechanics: some examples of mathematical analysis
- Atomistic models of materials: mathematical challenges. Abstracts from the workshop held April 27 -- May 3, 2008.
- Analysis of the local quasicontinuum method
- Microstructures in solids: from quantum models to continua. Abstracts from the workshop held March 14th -- March 20th, 2010.
- A computational continuum-discrete model of materials
Cites work
- \(W^{1,p}\)-quasiconvexity and variational problems for multiple integrals
- A definition of interface energies using atomistic models.
- A Definition of the Ground State Energy for Systems Composed of Infinitely Many Particles
- A dynamic atomistic--continuum method for the simulation of crystalline materials
- A General Integral Representation Result for Continuum Limits of Discrete Energies with Superlinear Growth
- A multiscale projection method for the analysis of carbon nanotubes
- A note on the regularity of reduced models obtained by nonlocal quasi-continuum-like approaches
- A proof of crystallization in two dimensions
- A scheme for the passage from atomic to continuum theory for thin films, nanotubes and nanorods
- A simple model for phase transitions: from the discrete to the continuum problem
- An adaptive finite element approach to atomic-scale mechanics. -- The quasicontinuum method
- An analysis of the quasicontinuum method
- An introduction to -convergence
- Analysis of a prototypical multiscale method coupling atomistic and continuum mechanics
- Analysis of a prototypical multiscale method coupling atomistic and continuum mechanics: the convex case
- Cauchy-Born rule and the stability of crystalline solids: Static problems
- Characterizations of Young measures generated by gradients
- Computational chemistry from the perspective of numerical analysis
- Continuum Limits of Discrete Systems without Convexity Hypotheses
- Convergence of molecular models to continuum mechanics models
- Convexity conditions and existence theorems in nonlinear elasticity
- Derivation of Higher Order Gradient Continuum Models from Atomistic Models for Crystalline Solids
- Direct methods in the calculus of variations
- Discrete homogenization in graphene sheet modeling
- Discrete to continuum limit for some models of stochastic lattices of atoms
- Equilibrium configurations of crystals
- Ergodic theorems. With a supplement by Antoine Brunel
- Erratum: Prediction of Dislocation Nucleation during Nanoindentation by the Orbital-Free Density Functional Theory Local Quasi-Continuum Method
- Fine phase mixtures as minimizers of energy
- From atoms to crystals: a mathematical journey
- From molecular models to continuum mechanics
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- Gradient Young measures generated by sequences in Sobolev spaces
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- Mathematical Analysis of a Bonded Joint with a Soft Thin Adhesive
- Microstructure of martensite. Why it forms and how give rise to the shape-memory effect.
- Multiscale and multiresolution methods. Theory and applications
- Multiscale Problems in Science and Technology
- NON-LOCAL VARIATIONAL LIMITS OF DISCRETE SYSTEMS
- Numerical approximation of Young measures in non-convex variational problems
- Numerical solution of a virtual internal bond model for material fracture
- On some periodic Hartree-type models for crystals
- On the non-locality of quasiconvexity
- On the stability of conformal mappings in multidimensional spaces
- On the thermodynamic limit for Hartree-Fock type models
- Optimal design and relaxation of variational problems, II
- Optimisation de géométrie dans le cadre des théories de type Thomas—Fermi pour les cristaux périodiques
- Parametrized measures and variational principles
- Periodicity of the infinite-volume ground state of a one-dimensional quantum model
- Proposed experimental tests of a theory of fine microstructure and the two-well problem
- Quasi-convexity and the lower semicontinuity of multiple integrals
- Rank-one convexity does not imply quasiconvexity
- Relaxation of some multi-well problems
- Rigorous derivation of nonlinear plate theory and geometric rigidity
- Rotation and strain
- Semilinear equations in \({\mathbb{R}}^ N\) without condition at infinity
- Singularities and computation of minimizers for variational problems
- Some Open Problems in Elasticity
- Sur la limite thermodynamique pour des modèles de type Hartree et Hartree-Fock
- The energy of some microscopic stochastic lattices
- The heterogeneous multiscale methods
- The lower quasiconvex envelope of the stored energy function for an elastic crystal
- The Passage from Discrete to Continuous Variational Problems: a Nonlinear Homogenization Process
- The Thomas-Fermi theory of atoms, molecules and solids
- Theoretical and numerical analysis for the quasi-continuum approximation of a material particle model
- Theoretical and numerical study of the behaviour of bonded plates
- Thomas-fermi and related theories of atoms and molecules
- Thomas-Fermi type theories for polymers and thin films.
- Unique Solvability of a System of Nonlinear Elliptic PDEs Arising in Solid State Physics
- Universality in the Thomas-Fermi-von Weizsäcker model of atoms and molecules
- Validity and failure of the Cauchy-Born hypothesis in a two-dimensional mass-spring lattice
- Variational formulation of softening phenomena in fracture mechanics: The one-dimensional case
- Variational limit of a one-dimensional discrete and statistically homogeneous system of material points
- Variational limit of a one-dimensional discrete and statistically homogeneous system of material points
- Variational methods for crystalline microstructure. Analysis and computation
- Variational methods for elastic crystals
- Variational Methods in Nonlinear Elasticity
- Young measure flow as a model for damage
Cited in
(36)- Atomistic models of materials: mathematical challenges. Abstracts from the workshop held April 27 -- May 3, 2008.
- On higher gradients in continuum-atomistic modelling.
- Finite element analysis of Cauchy-Born approximations to atomistic models
- Energy minimization of two dimensional incommensurate heterostructures
- Atomic to continuum passage for nanotubes: a discrete Saint-Venant principle and error estimates
- Discrete-to-continuum limits of long-range electrical interactions in nanostructures
- Analysis of an optimization-based atomistic-to-continuum coupling method for point defects
- Discrete-Continuum Transition in Modelling Nanomaterials
- Non-local energetics of random heterogeneous lattices
- Discrete-to-continuum modelling of weakly interacting incommensurate two-dimensional lattices
- Weak lower semicontinuity of integral functionals and applications
- Analytical treatment for the asymptotic analysis of microscopic impenetrability constraints for atomistic systems
- An integral-representation result for continuum limits of discrete energies with multibody interactions
- Extending Micromorphic Theory to Atomic Scale
- Mathematical theory of solids: from quantum mechanics to continuum models
- Passing from discrete to continuum models of electrostatic energy
- A hybrid multiscale model for cancer invasion of the extracellular matrix
- Discrete-to-continuum limits of multibody systems with bulk and surface long-range interactions
- Variance reduction for effective energies of random lattices in the Thomas-Fermi-von Weizsäcker model
- On the infinite particle limit in Lagrangian dynamics and convergence of optimal transportation meshfree methods
- Analysis of a force-based quasicontinuum approximation
- Multiscale Materials Modelling: Case Studies at the Atomistic and Electronic Structure Levels
- On the Cauchy—Born Rule
- Finite-temperature coarse-graining of one-dimensional models: mathematical analysis and computational approaches
- Atomistic viewpoint of the applicability of microcontinuum theories
- A continuum model for brittle nanowires derived from an atomistic description by -convergence
- From clusters of moving molecules to continua: material elements as open systems
- Discrete-to-continuum limits of interacting particle systems in one dimension with collisions
- A new adaptive modeling strategy based on optimal control for atomic-to-continuum coupling simulations
- Discrete-to-continuum linearization in atomistic dynamics
- Asymptotic analysis of boundary layers in a repulsive particle system
- Non-local homogenization limits of discrete elastic spring network models with random coefficients
- Atomistic-to-continuum convergence for quasi-static crack growth in brittle materials
- Variational analysis of the asymptotics of the \(XY\) model
- Improved continuous models for discrete media
- Stability, instability, and error of the force-based quasicontinuum approximation
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