Blended Ghost Force Correction Method for 3D Crystalline Defects

DOI10.4208/cicp.OA-2020-0107zbMath1473.65335arXiv2006.06501OpenAlexW3135652011MaRDI QIDQ5163224

Lei Zhang, Lidong Fang

Publication date: 3 November 2021

Published in: Communications in Computational Physics (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/2006.06501

zbMATH Keywords

multiscale computational methodatomistic/continuum couplingblending methodcrystalline defectsghost force correctionmany-body interaction potential

Mathematics Subject Classification ID

Energy minimization in equilibrium problems in solid mechanics (74G65) Statistical mechanics of crystals (82D25) Stability and convergence of numerical methods for boundary value problems involving PDEs (65N12) Mesh generation, refinement, and adaptive methods for boundary value problems involving PDEs (65N50) Statics (70C20)

Related Items (1)

Adaptive multigrid strategy for geometry optimization of large-scale three dimensional molecular mechanics

Cites Work

• 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
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• Consistent Energy-Based Atomistic/Continuum Coupling for Two-Body Potentials in Three Dimensions
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• Modeling Materials
• Analysis of patch-test consistent atomistic-to-continuum coupling with higher-order finite elements
• A Quasi-nonlocal Coupling Method for Nonlocal and Local Diffusion Models
• Convergence of a Force-Based Hybrid Method in Three Dimensions
• On Atomistic-to-Continuum Couplings without Ghost Forces in Three Dimensions
• Atomistic-to-continuum coupling

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