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A comparison of different continuum approaches in modeling mixed-type dislocations in Al

Journal Article · · Modelling and Simulation in Materials Science and Engineering
 [1];  [1];  [2];  [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)
+ Show Author Affiliations
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.
Research Organization:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Organization:
National Science Foundation (NSF); USDOE National Nuclear Security Administration (NNSA)
Grant/Contract Number:
89233218CNA000001
OSTI ID:
1544737
Alternate ID(s):
OSTI ID: 22924430
Report Number(s):
LA-UR--19-21670
Journal Information:
Modelling and Simulation in Materials Science and Engineering, Journal Name: Modelling and Simulation in Materials Science and Engineering Journal Issue: 7 Vol. 27; ISSN 0965-0393
Publisher:
IOP PublishingCopyright Statement
Country of Publication:
United States
Language:
English

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Cited By (1)

Density functional theory calculations of generalized stacking fault energy surfaces for eight face-centered cubic transition metals journal September 2019

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