Atomistic to Continuum limits for computational materials science
From MaRDI portal
Publication:5447908
DOI10.1051/m2an:2007018zbMath1144.82018OpenAlexW2062410906MaRDI QIDQ5447908
Pierre-Louis Lions, Xavier Blanc, Claude Le Bris
Publication date: 20 March 2008
Published in: ESAIM: Mathematical Modelling and Numerical Analysis (Search for Journal in Brave)
Full work available at URL: http://www.numdam.org/item?id=M2AN_2007__41_2_391_0
Atomic physics (81V45) Continuum models (systems of particles, etc.) arising in equilibrium statistical mechanics (82B21)
Related Items
Variational analysis of the asymptotics of the \(XY\) model, Discrete-to-continuum modelling of weakly interacting incommensurate two-dimensional lattices, Non-local energetics of random heterogeneous lattices, A continuum model for brittle nanowires derived from an atomistic description by \(\Gamma \)-convergence, Weak Lower Semicontinuity of Integral Functionals and Applications, A Hybrid Multiscale Model for Cancer Invasion of the Extracellular Matrix, Finite element analysis of Cauchy-Born approximations to atomistic models, Discrete-to-Continuum Limits of Multibody Systems with Bulk and Surface Long-Range Interactions, An Integral-Representation Result for Continuum Limits of Discrete Energies with MultiBody Interactions, Discrete-to-continuum limits of long-range electrical interactions in nanostructures, Variance reduction for effective energies of random lattices in the Thomas–Fermi–von Weizsäcker model, Atomic to continuum passage for nanotubes: a discrete Saint-Venant principle and error estimates, A new adaptive modeling strategy based on optimal control for atomic-to-continuum coupling simulations, Asymptotic analysis of boundary layers in a repulsive particle system, Improved continuous models for discrete media, Stability, instability, and error of the force-based quasicontinuum approximation, Analysis of a force-based quasicontinuum approximation, Analysis of an optimization-based atomistic-to-continuum coupling method for point defects, Finite-temperature coarse-graining of one-dimensional models: mathematical analysis and computational approaches, Passing from Discrete to Continuum Models of Electrostatic Energy, Energy minimization of two dimensional incommensurate heterostructures, On the Infinite Particle Limit in Lagrangian Dynamics and Convergence of Optimal Transportation Meshfree Methods
Cites Work
- Theoretical and numerical study of the behaviour of bonded plates
- A multiscale projection method for the analysis of carbon nanotubes
- \(W^{1,p}\)-quasiconvexity and variational problems for multiple integrals
- The heterogeneous multiscale methods
- A proof of crystallization in two dimensions
- Cauchy-Born rule and the stability of crystalline solids: Static problems
- The energy of some microscopic stochastic lattices
- Universality in the Thomas-Fermi-von Weizsäcker model of atoms and molecules
- A note on the regularity of reduced models obtained by nonlocal quasi-continuum-like approaches
- Young measure flow as a model for damage
- Analysis of a prototypical multiscale method coupling atomistic and continuum mechanics: the convex case
- Semilinear equations in \({\mathbb{R}}^ N\) without condition at infinity
- Ergodic theorems. With a supplement by Antoine Brunel
- Variational methods for elastic crystals
- Fine phase mixtures as minimizers of energy
- Equilibrium configurations of crystals
- Characterizations of Young measures generated by gradients
- Convexity conditions and existence theorems in nonlinear elasticity
- The Thomas-Fermi theory of atoms, molecules and solids
- On the non-locality of quasiconvexity
- Variational formulation of softening phenomena in fracture mechanics: The one-dimensional case
- Gradient Young measures generated by sequences in Sobolev spaces
- An introduction to \(\Gamma\)-convergence
- Parametrized measures and variational principles
- Handbook of Numerical Analysis X. Special volume: Computational chemistry.
- Rigorous derivation of nonlinear plate theory and geometric rigidity
- Numerical solution of a virtual internal bond model for material fracture
- On some periodic Hartree-type models for crystals
- A definition of interface energies using atomistic models.
- Variational methods for crystalline microstructure. Analysis and computation
- From molecular models to continuum mechanics
- A dynamic atomistic--continuum method for the simulation of crystalline materials
- Validity and failure of the Cauchy-Born hypothesis in a two-dimensional mass-spring lattice
- Numerical approximation of Young measures in non-convex variational problems
- An adaptive finite element approach to atomic-scale mechanics. -- The quasicontinuum method
- A scheme for the passage from atomic to continuum theory for thin films, nanotubes and nanorods
- Discrete homogenization in graphene sheet modeling
- Discrete to continuum limit for some models of stochastic lattices of atoms
- On the stability of conformal mappings in multidimensional spaces
- The lower quasiconvex envelope of the stored energy function for an elastic crystal
- Quasi-convexity and the lower semicontinuity of multiple integrals
- Relaxation of some multi-well problems
- Variational limit of a one-dimensional discrete and statistically homogeneous system of material points
- Convergence de modèles moléculaires vers des modèles de mécanique des milieux continus
- GEOMETRY OPTIMIZATION FOR CRYSTALS IN THOMAS–FERMI TYPE THEORIES OF SOLIDS
- The Passage from Discrete to Continuous Variational Problems: a Nonlinear Homogenization Process
- Some Open Problems in Elasticity
- Erratum: Prediction of Dislocation Nucleation during Nanoindentation by the Orbital-Free Density Functional Theory Local Quasi-Continuum Method
- Rotation and strain
- Computational chemistry from the perspective of numerical analysis
- Optimal design and relaxation of variational problems, II
- Rank-one convexity does not imply quasiconvexity
- Proposed experimental tests of a theory of fine microstructure and the two-well problem
- Sur la limite thermodynamique pour des modèles de type Hartree et Hartree-Fock
- Thomas-fermi and related theories of atoms and molecules
- A simple model for phase transitions: from the discrete to the continuum problem
- NON-LOCAL VARIATIONAL LIMITS OF DISCRETE SYSTEMS
- Mathematical Analysis of a Bonded Joint with a Soft Thin Adhesive
- Multiscale Problems in Science and Technology
- A General Integral Representation Result for Continuum Limits of Discrete Energies with Superlinear Growth
- Optimisation de géométrie dans le cadre des théories de type Thomas—Fermi pour les cristaux périodiques
- Continuum Limits of Discrete Systems without Convexity Hypotheses
- Theoretical and numerical analysis for the quasi-continuum approximation of a material particle model
- A Definition of the Ground State Energy for Systems Composed of Infinitely Many Particles
- Variational Methods in Nonlinear Elasticity
- Unique Solvability of a System of Nonlinear Elliptic PDEs Arising in Solid State Physics
- From atoms to crystals: a mathematical journey
- HANS BETHE'S CONTRIBUTIONS TO SOLID-STATE PHYSICS
- Analysis of a prototypical multiscale method coupling atomistic and continuum mechanics
- Derivation of Higher Order Gradient Continuum Models from Atomistic Models for Crystalline Solids
- Direct methods in the calculus of variations
- Multiscale and multiresolution methods. Theory and applications
- An analysis of the quasicontinuum method
- On the thermodynamic limit for Hartree-Fock type models
- Thomas-Fermi type theories for polymers and thin films.
- Periodicity of the infinite-volume ground state of a one-dimensional quantum model
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item