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Title: Thermodynamic analysis of the Livermore molecular-dynamics simulations of dislocation-mediated plasticity

Abstract

Results of recent large-scale molecular dynamics simulations of dislocation-mediated solid plasticity are compared with predictions of the statistical thermodynamic theory of these phenomena. These computational and theoretical analyses are in substantial agreement with each other in both their descriptions of strain-rate-dependent steady plastic flows and of transient stress peaks associated with initially small densities of dislocations. Lastly, the comparisons between the numerical simulations and basic theory reveal inconsistencies in some conventional phenomenological descriptions of solid plasticity.

Authors:
 [1]
  1. Univ. of California, Santa Barbara, CA (United States). Dept. of Physics
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1468005
Alternate Identifier(s):
OSTI ID: 1467955
Grant/Contract Number:  
AC05-00OR22725; AC05-00OR-22725
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review E
Additional Journal Information:
Journal Volume: 98; Journal Issue: 2; Journal ID: ISSN 2470-0045
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
97 MATHEMATICS AND COMPUTING

Citation Formats

Langer, James S. Thermodynamic analysis of the Livermore molecular-dynamics simulations of dislocation-mediated plasticity. United States: N. p., 2018. Web. doi:10.1103/PhysRevE.98.023006.
Langer, James S. Thermodynamic analysis of the Livermore molecular-dynamics simulations of dislocation-mediated plasticity. United States. doi:10.1103/PhysRevE.98.023006.
Langer, James S. Wed . "Thermodynamic analysis of the Livermore molecular-dynamics simulations of dislocation-mediated plasticity". United States. doi:10.1103/PhysRevE.98.023006. https://www.osti.gov/servlets/purl/1468005.
@article{osti_1468005,
title = {Thermodynamic analysis of the Livermore molecular-dynamics simulations of dislocation-mediated plasticity},
author = {Langer, James S.},
abstractNote = {Results of recent large-scale molecular dynamics simulations of dislocation-mediated solid plasticity are compared with predictions of the statistical thermodynamic theory of these phenomena. These computational and theoretical analyses are in substantial agreement with each other in both their descriptions of strain-rate-dependent steady plastic flows and of transient stress peaks associated with initially small densities of dislocations. Lastly, the comparisons between the numerical simulations and basic theory reveal inconsistencies in some conventional phenomenological descriptions of solid plasticity.},
doi = {10.1103/PhysRevE.98.023006},
journal = {Physical Review E},
number = 2,
volume = 98,
place = {United States},
year = {2018},
month = {8}
}

Journal Article:
Free Publicly Available Full Text
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Cited by: 2 works
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Works referenced in this record:

Thermodynamic theory of dislocation-enabled plasticity
journal, November 2017


Probing the limits of metal plasticity with molecular dynamics simulations
journal, September 2017

  • Zepeda-Ruiz, Luis A.; Stukowski, Alexander; Oppelstrup, Tomas
  • Nature, Vol. 550, Issue 7677
  • DOI: 10.1038/nature23472

Thermodynamic theory of dislocation-mediated plasticity
journal, June 2010


Shear-transformation-zone theory of yielding in athermal amorphous materials
journal, July 2015


Dislocation Mean Free Paths and Strain Hardening of Crystals
journal, June 2008


Dislocation multi-junctions and strain hardening
journal, April 2006

  • Bulatov, Vasily V.; Hsiung, Luke L.; Tang, Meijie
  • Nature, Vol. 440, Issue 7088
  • DOI: 10.1038/nature04658

Thermal effects in dislocation theory
journal, December 2016


Steady-state, effective-temperature dynamics in a glassy material
journal, November 2007


Thermodynamic dislocation theory of adiabatic shear banding in steel
journal, May 2018


Activated Dynamics and Effective Temperature in a Steady State Sheared Glass
journal, November 2007


Simulations of Dislocation Structure and Response
journal, March 2014


Deformation and Failure of Amorphous, Solidlike Materials
journal, March 2011


Statistical thermodynamics of strain hardening in polycrystalline solids
journal, September 2015


Thermodynamic dislocation theory of high-temperature deformation in aluminum and steel
journal, July 2017


Thermal effects in dislocation theory. II. Shear banding
journal, January 2017


High-Strain-Rate Deformation: Mechanical Behavior and Deformation Substructures Induced
journal, August 2012


The Mechanism of Plastic Deformation of Crystals. Part I. Theoretical
journal, July 1934

  • Taylor, G. I.
  • Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 145, Issue 855
  • DOI: 10.1098/rspa.1934.0106