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 |
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Keywords
- Quasicontinuum
- hyperdynamics
- nanoindentation
- spatial multiscale
- temporal acceleration
Cite this
Accelerated quasicontinuum : a practical perspective on hyper-QC with application to nanoindentation. / Kim, W. K.; Tadmor, E. B.
In: Philosophical Magazine, Vol. 97, No. 26, 12.09.2017, p. 2284-2316.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Accelerated quasicontinuum
T2 - a practical perspective on hyper-QC with application to nanoindentation
AU - Kim, W. K.
AU - Tadmor, E. B.
PY - 2017/9/12
Y1 - 2017/9/12
N2 - 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.
AB - 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.
KW - Quasicontinuum
KW - hyperdynamics
KW - nanoindentation
KW - spatial multiscale
KW - temporal acceleration
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U2 - 10.1080/14786435.2017.1332432
DO - 10.1080/14786435.2017.1332432
M3 - Article
AN - SCOPUS:85020246464
VL - 97
SP - 2284
EP - 2316
JO - Philosophical Magazine
JF - Philosophical Magazine
SN - 0031-8086
IS - 26
ER -