Accelerated quasicontinuum: a practical perspective on hyper-QC with application to nanoindentation

W. K. Kim, E. B. Tadmor

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

Hyper-QC is a multiscale method based on the quasicontinuum (QC) method in which time is accelerated using hyperdynamics through the addition of a suitable bias potential. This paper describes the practical details of implementing and carrying out hyper-QC simulations and introduces a novel mechanism-based bias potential for deformation processes in face-centred cubic (fcc) systems. The factors limiting the maximum achievable acceleration are discussed. The method is demonstrated for nanoindentation into a thin film of single crystal fcc nickel at near experimental loading rates. Speed up factors as high as 10,000 are achieved. The simulations reveal a thermally activated dislocation nucleation mechanism with a logarithmic dependence on temperature and indenter velocity in agreement with a theoretical model.

Original languageEnglish (US)
Pages (from-to)2284-2316
Number of pages33
JournalPhilosophical Magazine
Volume97
Issue number26
DOIs
StatePublished - Sep 12 2017

Bibliographical note

Funding Information:
WKK was supported in part by the National Science Foundation [award number 1463038]. EBT was supported in part by the National Science Foundation [award number 1462807].

Publisher Copyright:
© 2017 Informa UK Limited, trading as Taylor & Francis Group.

Keywords

  • Quasicontinuum
  • hyperdynamics
  • nanoindentation
  • spatial multiscale
  • temporal acceleration

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