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Phys. Rev. E 79, 037701 (2009) [4 pages]

Convergence rate for numerical computation of the lattice Green’s function

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M. Ghazisaeidi1 and D. R. Trinkle2
1Department of Mechanical Science and Engineering, University of Illinois at Urbana–Champaign, Urbana, Illinois 61801, USA
2Department of Materials Science and Engineering, University of Illinois at Urbana–Champaign, Urbana, Illinois 61801, USA

Received 31 October 2008; published 20 March 2009

Flexible boundary-condition methods couple an isolated defect to bulk through the bulk lattice Green’s function. Direct computation of the lattice Green’s function requires projecting out the singular subspace of uniform displacements and forces for the infinite lattice. We calculate the convergence rates for elastically isotropic and anisotropic cases for three different techniques: relative displacement, elastic Green’s function correction, and discontinuity correction. The discontinuity correction has the most rapid convergence for the general case.

© 2009 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevE.79.037701
DOI:
10.1103/PhysRevE.79.037701
PACS:
02.70.−c, 61.72.Bb, 62.20.−x