Analysis of an optimization-based atomistic-to-continuum coupling method for point defects

DOI10.1051/M2AN/2015023zbMath1353.82022arXiv1411.4027OpenAlexW2019188433MaRDI QIDQ2798130

Derek Olson, Alexander V. Shapeev, Pavel B. Bochev, Mitchell Luskin

Publication date: 1 April 2016

Published in: ESAIM: Mathematical Modelling and Numerical Analysis (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1411.4027

zbMATH Keywords

constrained optimizationatomistic-to-continuum couplingatomic latticepoint defect

Mathematics Subject Classification ID

Lattice systems (Ising, dimer, Potts, etc.) and systems on graphs arising in equilibrium statistical mechanics (82B20) Continuum models (systems of particles, etc.) arising in equilibrium statistical mechanics (82B21)

Related Items (5)

Force-based atomistic/continuum blending for multilattices ⋮ Algorithms for Propagating Uncertainty Across Heterogeneous Domains ⋮ Adaptive multigrid strategy for geometry optimization of large-scale three dimensional molecular mechanics ⋮ Optimization-based additive decomposition of weakly coercive problems with applications ⋮ A coupling strategy for nonlocal and local diffusion models with mixed volume constraints and boundary conditions

Cites Work

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• Analysis of blended atomistic/continuum hybrid methods
• Analysis of boundary conditions for crystal defect atomistic simulations
• Formulation and optimization of the energy-based blended quasicontinuum method
• A bridging domain method for coupling continua with molecular dynamics
• Theory-based benchmarking of the blended force-based quasicontinuum method
• On the application of the Arlequin method to the coupling of particle and continuum models
• Cauchy-Born rule and the stability of crystalline solids: Static problems
• Virtual and effective control for distributed systems and decomposition of everything
• Justification of the Cauchy-Born approximation of elastodynamics
• Atomistic/Continuum Blending with Ghost Force Correction
• The role of the patch test in 2D atomistic-to-continuum coupling methods
• The Interface Control Domain Decomposition (ICDD) Method for Elliptic Problems
• Consistent Energy-Based Atomistic/Continuum Coupling for Two-Body Potentials in One and Two Dimensions
• An Optimization-based Atomistic-to-Continuum Coupling Method
• Modeling Materials
• Analysis of Energy-Based Blended Quasi-Continuum Approximations
• Finite Element Interpolation of Nonsmooth Functions Satisfying Boundary Conditions
• A Posteriori Existence in Numerical Computations
• Multiple Integrals in the Calculus of Variations and Nonlinear Elliptic Systems. (AM-105)
• Algorithmes parallèles pour la solution de problèmes aux limites
• Convergence of a Force-Based Hybrid Method in Three Dimensions
• Positive Definiteness of the Blended Force-Based Quasicontinuum Method
• Construction and Sharp Consistency Estimates for Atomistic/Continuum Coupling Methods with General Interfaces: A Two-Dimensional Model Problem
• (In-)stability and Stabilization of QNL-Type Atomistic-to-Continuum Coupling Methods
• Analysis of an energy-based atomistic/continuum approximation of a vacancy in the 2D triangular lattice
• Atomistic-to-continuum coupling
• The Mathematical Theory of Finite Element Methods
• Analysis of a force-based quasicontinuum approximation
• Atomistic to Continuum limits for computational materials science
• Heterogeneous coupling by virtual control methods

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