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Title: Theoretical and computational comparison of models for dislocation dissociation and stacking fault/core formation in fcc crystals

Abstract

In this study, the purpose of the current work is the theoretical and computational comparison of selected models for the energetics of dislocation dissociation resulting in stacking fault and partial dislocation (core) formation in fcc crystals as based on the (generalized) Peierls–Nabarro (GPN: e.g., Xiang et al., 2008, Shen et al., 2014), and phase-field (PF: e.g., Shen and Wang, 2004, Hunter et al., 2011, Hunter et al., 2013, Mianroodi and Svendsen, 2015), methodologies (e.g., Wang and Li, 2010).

Authors:
 [1]; ORCiD logo [2];  [2];  [3]
+ Show Author Affiliations
  1. RWTH Aachen, Aachen (Germany)
  2. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  3. RWTH Aachen, Aachen (Germany); Max-Planck-Institut fur Eisenforschung GmbH, Dusseldorf (Germany)
Publication Date:
Research Org.:
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE Laboratory Directed Research and Development (LDRD) Program
OSTI Identifier:
1467200
Report Number(s):
LA-UR-17-21493
Journal ID: ISSN 0022-5096
Grant/Contract Number:  
AC52-06NA25396
Resource Type:
Accepted Manuscript
Journal Name:
Journal of the Mechanics and Physics of Solids
Additional Journal Information:
Journal Volume: 95; Journal Issue: C; Journal ID: ISSN 0022-5096
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Phase field; Dislocation; Dissociation; Core; Stacking fault; Molecular statics

Citation Formats

Mianroodi, Jaber R., Hunter, Abigail, Beyerlein, Irene J., and Svendsen, B. Theoretical and computational comparison of models for dislocation dissociation and stacking fault/core formation in fcc crystals. United States: N. p., 2016. Web. doi:10.1016/j.jmps.2016.04.029.
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Mianroodi, Jaber R., Hunter, Abigail, Beyerlein, Irene J., & Svendsen, B. Theoretical and computational comparison of models for dislocation dissociation and stacking fault/core formation in fcc crystals. United States. https://doi.org/10.1016/j.jmps.2016.04.029
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Mianroodi, Jaber R., Hunter, Abigail, Beyerlein, Irene J., and Svendsen, B. Tue . "Theoretical and computational comparison of models for dislocation dissociation and stacking fault/core formation in fcc crystals". United States. https://doi.org/10.1016/j.jmps.2016.04.029. https://www.osti.gov/servlets/purl/1467200.
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@article{osti_1467200,
title = {Theoretical and computational comparison of models for dislocation dissociation and stacking fault/core formation in fcc crystals},
author = {Mianroodi, Jaber R. and Hunter, Abigail and Beyerlein, Irene J. and Svendsen, B.},
abstractNote = {In this study, the purpose of the current work is the theoretical and computational comparison of selected models for the energetics of dislocation dissociation resulting in stacking fault and partial dislocation (core) formation in fcc crystals as based on the (generalized) Peierls–Nabarro (GPN: e.g., Xiang et al., 2008, Shen et al., 2014), and phase-field (PF: e.g., Shen and Wang, 2004, Hunter et al., 2011, Hunter et al., 2013, Mianroodi and Svendsen, 2015), methodologies (e.g., Wang and Li, 2010).},
doi = {10.1016/j.jmps.2016.04.029},
journal = {Journal of the Mechanics and Physics of Solids},
number = C,
volume = 95,
place = {United States},
year = {Tue May 03 00:00:00 EDT 2016},
month = {Tue May 03 00:00:00 EDT 2016}
}
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Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1016/j.jmps.2016.04.029
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Cited by: 39 works
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Figures / Tables:

Table 1 Table 1: Lattice parameter a0 and elastic constants C11, C12, C44 calculated from EAM potentials for Al (Mishin et al., 1999) and Au (Grochola et al., 2005).
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    Works referencing / citing this record:

    A review of slip transfer: applications of mesoscale techniques
    journal, December 2017

    • Hunter, Abigail; Leu, Brandon; Beyerlein, Irene J.
    • Journal of Materials Science, Vol. 53, Issue 8
    • DOI: 10.1007/s10853-017-1844-5

    Structural evolution and dislocation behaviour during nano-rolling process of FCC metals: A molecular dynamics simulation based investigation
    journal, March 2019

    • Vijay Reddy, K.; Pal, Snehanshu
    • Journal of Applied Physics, Vol. 125, Issue 9
    • DOI: 10.1063/1.5085750

    Phase-field-based calculations of the disregistry fields of static extended dislocations in FCC metals
    journal, February 2019

    A computational approach towards modelling dislocation transmission across phase boundaries
    journal, May 2019

    Unveiling the Re effect in Ni-based single crystal superalloys
    text, January 2020

    Effect of Twin Boundary Motion and Dislocation-Twin Interaction on Mechanical Behavior in Fcc Metals
    journal, May 2020

    • Rezaei Mianroodi, Jaber; Svendsen, Bob
    • Materials, Vol. 13, Issue 10
    • DOI: 10.3390/ma13102238

    A computational approach towards modelling dislocation transmission across phase boundaries
    text, January 2019

    Unveiling the Re effect in Ni-based single crystal superalloys
    journal, January 2020

    • Wu, Xiaoxiang; Makineni, Surendra Kumar; Liebscher, Christian H.
    • Nature Communications, Vol. 11, Issue 1
    • DOI: 10.1038/s41467-019-14062-9

    Unveiling the Re effect in Ni-based single crystal superalloys
    text, January 2020

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      Figures / Tables found in this record:

      Table 1 (p. 8)table
      Table 2 (p. 9)table
      Figure 1 (p. 10)figure
      Table 3 (p. 10)table
      Figure 2 (p. 11)figure
      Table 4 (p. 12)table
      Figure 3 (p. 13)figure
      Figure 4 (p. 15)figure
      Figure 5 (p. 16)figure
      Figure 6 (p. 18)figure
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      Figure 8 (p. 20)figure
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      Figure 11 (p. 23)figure
      Figure 12 (p. 24)figure
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      Figure 14 (p. 25)figure
      Figure 15 (p. 26)figure
      Figure 16 (p. 27)figure
      Table 5 (p. 27)table
      Table 6 (p. 28)table
      Figure 17 (p. 29)figure
      Figure 18 (p. 30)figure
      Algorithm 1 (p. 42)figure
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