Sharp Uniform Convergence Rate of the Supercell Approximation of a Crystalline Defect

2018/11/21 by Braun, Julian, Ortner, Christoph · 1 citation
#65N12 #65N15 #70C20 #74E15 #Analysis of PDEs (math.AP) #FOS: Mathematics #Numerical Analysis (math.NA)

paper · doi:10.48550/arxiv.1811.08741

Abstract

We consider the geometry relaxation of an isolated point defect embedded in a homogeneous crystalline solid, within an atomistic description. We prove a sharp convergence rate for a periodic supercell approximation with respect to uniform convergence of the discrete strains.

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• Higher-Order Boundary Conditions for Atomistic Dislocation Simulations

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