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Title: 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:
ORCiD logo [1];  [1]; ORCiD logo [2]; ORCiD logo [3];  [2];  [1]
  1. Univ. of California, Santa Barbara, CA (United States)
  2. Max-Planck-Institut für Eisenforschung GmbH, Düsseldorf (Germany); RWTH Aachen Univ. (Germany)
  3. 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. https://doi.org/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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    Works referencing / citing this record:

    Density functional theory calculations of generalized stacking fault energy surfaces for eight face-centered cubic transition metals
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