A comparison of different continuum approaches in modeling mixed-type dislocations in Al
Abstract
Mixed-type dislocations are common in metals and play a vital role in their plastic deformation. Key characteristics of mixed-type dislocations cannot simply be extrapolated from those of dislocations with pure edge or pure screw characters. Yet, mixed-type dislocations traditionally received disproportionately less attention in the modeling and simulation community. Here, we explore core structures of mixed-type dislocations in Al using three continuum approaches, namely, the phase-field dislocation dynamics (PFDD) method, the atomistic phase-field microelasticity (APFM) method, and the concurrent atomistic-continuum (CAC) method. Results are benchmarked against molecular statics. We advance the PFDD and APFM methods in several aspects such that they can better describe the dislocation core structure. In particular, in these two approaches, the gradient energy coefficients for mixed-type dislocations are determined based on those for pure-type ones using a trigonometric interpolation scheme, which is shown to provide better prediction than a linear interpolation scheme. The dependence of the in-slip-plane spatial numerical resolution in PFDD and CAC is also quantified.
- Authors:
-
[1];
[2];
[3];
- Univ. of California, Santa Barbara, CA (United States)
- Max-Planck-Institut für Eisenforschung GmbH, Düsseldorf (Germany); RWTH Aachen Univ. (Germany)
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Publication Date:
- Research Org.:
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA); National Science Foundation (NSF)
- OSTI Identifier:
- 1544737
- Report Number(s):
- LA-UR-19-21670
Journal ID: ISSN 0965-0393
- Grant/Contract Number:
- 89233218CNA000001
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Modelling and Simulation in Materials Science and Engineering
- Additional Journal Information:
- Journal Volume: 27; Journal Issue: 7; Journal ID: ISSN 0965-0393
- Publisher:
- IOP Publishing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; 97 MATHEMATICS AND COMPUTING; mixed-type dislocation; continuum modeling; face-centered cubic metal
Citation Formats
Xu, Shuozhi, Smith, Lauren, Mianroodi, Jaber R., Hunter, Abigail, Svendsen, Bob, and Beyerlein, Irene J. A comparison of different continuum approaches in modeling mixed-type dislocations in Al. United States: N. p., 2019.
Web. doi:10.1088/1361-651X/ab2d16.
Xu, Shuozhi, Smith, Lauren, Mianroodi, Jaber R., Hunter, Abigail, Svendsen, Bob, & Beyerlein, Irene J. A comparison of different continuum approaches in modeling mixed-type dislocations in Al. United States. https://doi.org/10.1088/1361-651X/ab2d16
Xu, Shuozhi, Smith, Lauren, Mianroodi, Jaber R., Hunter, Abigail, Svendsen, Bob, and Beyerlein, Irene J. Wed .
"A comparison of different continuum approaches in modeling mixed-type dislocations in Al". United States. https://doi.org/10.1088/1361-651X/ab2d16. https://www.osti.gov/servlets/purl/1544737.
@article{osti_1544737,
title = {A comparison of different continuum approaches in modeling mixed-type dislocations in Al},
author = {Xu, Shuozhi and Smith, Lauren and Mianroodi, Jaber R. and Hunter, Abigail and Svendsen, Bob and Beyerlein, Irene J.},
abstractNote = {Mixed-type dislocations are common in metals and play a vital role in their plastic deformation. Key characteristics of mixed-type dislocations cannot simply be extrapolated from those of dislocations with pure edge or pure screw characters. Yet, mixed-type dislocations traditionally received disproportionately less attention in the modeling and simulation community. Here, we explore core structures of mixed-type dislocations in Al using three continuum approaches, namely, the phase-field dislocation dynamics (PFDD) method, the atomistic phase-field microelasticity (APFM) method, and the concurrent atomistic-continuum (CAC) method. Results are benchmarked against molecular statics. We advance the PFDD and APFM methods in several aspects such that they can better describe the dislocation core structure. In particular, in these two approaches, the gradient energy coefficients for mixed-type dislocations are determined based on those for pure-type ones using a trigonometric interpolation scheme, which is shown to provide better prediction than a linear interpolation scheme. The dependence of the in-slip-plane spatial numerical resolution in PFDD and CAC is also quantified.},
doi = {10.1088/1361-651X/ab2d16},
journal = {Modelling and Simulation in Materials Science and Engineering},
number = 7,
volume = 27,
place = {United States},
year = {2019},
month = {7}
}
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Cited by: 8 works
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Figures / Tables:
Figure 1: Simulation box set-up for dissociation of a mixed-type dislocation dipole.
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Works referencing / citing this record:
Density functional theory calculations of generalized stacking fault energy surfaces for eight face-centered cubic transition metals
journal, September 2019
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