Atomistic/Continuum Blending with Ghost Force Correction

Abstract

We combine the ideas of atomistic/continuum energy blending and ghost force correction to obtain an energy-based atomistic/continuum coupling scheme which has, for a range of benchmark problems, the same convergence rates as optimal force-based coupling schemes. We present the construction of this new scheme, numerical results exploring its accuracy in comparison with established schemes, as well as a rigorous error analysis for an instructive special case.

24 pages

References in corpus (3)

• Energy-Based Atomistic-to-Continuum Coupling Without Ghost Forces
• Analysis of Blended Atomistic/Continuum Hybrid Methods
• Development of an Optimization-Based Atomistic-to-Continuum Coupling Method

Cited by in corpus (7)

• A Posteriori Error Estimation and Adaptive Algorithm for the Atomistic/Continuum Coupling in 2D
• Analysis of patch-test consistent atomistic-to-continuum coupling with higher-order finite elements
• Blended Ghost Force Correction Method for 3D Crystalline Defects
• Geometry Equilibration of Crystalline Defects in Quantum and Atomistic Descriptions
• A Posteriori Error Estimate and Adaptive Mesh Refinement Algorithm for Atomistic/Continuum Coupling with Finite Range Interactions in Two Dimensions
• QM/MM Methods for Crystalline Defects. Part 3: Machine-Learned Interatomic Potentials
• A Priori Analysis of a Higher Order Nonlinear Elasticity Model for an Atomistic Chain with Periodic Boundary Condition