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 language | English (US) |
---|---|
Pages (from-to) | 2284-2316 |
Number of pages | 33 |
Journal | Philosophical Magazine |
Volume | 97 |
Issue number | 26 |
DOIs | |
State | Published - 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