Search Menu
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information
Search Scholarly Publications

Title: Insights on activation enthalpy for non-Schmid slip in body-centered cubic metals

Abstract

We use insights gained from atomistic simulation to develop an activation enthalpy model for dislocation slip in body-centered cubic iron. Furthermore, using a classical potential that predicts dislocation core stabilities consistent with ab initio predictions, we quantify the non-Schmid stress-dependent effects of slip. The kink-pair activation enthalpy is evaluated and a model is identified as a function of the general stress state. Thus, our model enlarges the applicability of the classic Kocks activation enthalpy model to materials with non-Schmid behavior.

Authors:
 [1];  [2];  [1];  [2];
+ Show Author Affiliations
  1. Sandia National Lab. (SNL-CA), Livermore, CA (United States)
  2. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Publication Date:
Research Org.:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1141106
Alternate Identifier(s):
OSTI ID: 1251508
Report Number(s):
SAND-2014-1895J
Journal ID: ISSN 1359-6462; PII: S1359646214005089
Grant/Contract Number:  
AC04-94AL85000
Resource Type:
Accepted Manuscript
Journal Name:
Scripta Materialia
Additional Journal Information:
Journal Volume: 99; Journal Issue: C; Journal ID: ISSN 1359-6462
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; dislocations; slip; bcc metals; iron

Citation Formats

Hale, Lucas M., Lim, Hojun, Zimmerman, Jonathan A., Battaile, Corbett C., and Weinberger, Christopher R. Insights on activation enthalpy for non-Schmid slip in body-centered cubic metals. United States: N. p., 2014. Web. doi:10.1016/j.scriptamat.2014.11.035.
Copy to clipboard
Hale, Lucas M., Lim, Hojun, Zimmerman, Jonathan A., Battaile, Corbett C., & Weinberger, Christopher R. Insights on activation enthalpy for non-Schmid slip in body-centered cubic metals. United States. https://doi.org/10.1016/j.scriptamat.2014.11.035
Copy to clipboard
Hale, Lucas M., Lim, Hojun, Zimmerman, Jonathan A., Battaile, Corbett C., and Weinberger, Christopher R. Thu . "Insights on activation enthalpy for non-Schmid slip in body-centered cubic metals". United States. https://doi.org/10.1016/j.scriptamat.2014.11.035. https://www.osti.gov/servlets/purl/1141106.
Copy to clipboard
@article{osti_1141106,
title = {Insights on activation enthalpy for non-Schmid slip in body-centered cubic metals},
author = {Hale, Lucas M. and Lim, Hojun and Zimmerman, Jonathan A. and Battaile, Corbett C. and Weinberger, Christopher R.},
abstractNote = {We use insights gained from atomistic simulation to develop an activation enthalpy model for dislocation slip in body-centered cubic iron. Furthermore, using a classical potential that predicts dislocation core stabilities consistent with ab initio predictions, we quantify the non-Schmid stress-dependent effects of slip. The kink-pair activation enthalpy is evaluated and a model is identified as a function of the general stress state. Thus, our model enlarges the applicability of the classic Kocks activation enthalpy model to materials with non-Schmid behavior.},
doi = {10.1016/j.scriptamat.2014.11.035},
journal = {Scripta Materialia},
number = C,
volume = 99,
place = {United States},
year = {Thu Dec 18 00:00:00 EST 2014},
month = {Thu Dec 18 00:00:00 EST 2014}
}
Copy to clipboard
Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1016/j.scriptamat.2014.11.035
Copyright Statement
Other availability
Search WorldCat Search WorldCat to find libraries that may hold this journal
Citation Metrics:
Cited by: 11 works
Citation information provided by
Web of Science
Save / Share:
Export Metadata
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.

Works referenced in this record:

Some surprising features of the plastic deformation of body-centered cubic metals and alloys
journal, July 1983

Plastic anisotropy in b.c.c. transition metals
journal, March 1998

Computer Simulation of the Screw Dislocation Motion in b.c.c. Metals under the Effect of the External Shear and Uniaxial Stresses
journal, December 1976

  • Vitek, V.
  • Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 352, Issue 1668
  • DOI: 10.1098/rspa.1976.0166

Anomalous slip in a B.C.C. crystal observed in computer simulation of screw dislocation motion
journal, July 1974

Slip planes in bcc transition metals
journal, June 2013

Atomistic simulation of kink-pairs of screw dislocations in body-centred cubic iron
journal, November 2000

Influence of non-glide stresses on plastic flow: from atomistic to continuum modeling
journal, January 2004

An atomistically-informed dislocation dynamics model for the plastic anisotropy and tension–compression asymmetry of BCC metals
journal, October 2011

Dislocation motion in tungsten: Atomistic input to discrete dislocation simulations
journal, August 2013

Incorporating atomistic data of lattice friction into BCC crystal plasticity models
journal, October 2012

  • Weinberger, Christopher R.; Battaile, Corbett C.; Buchheit, Thomas E.
  • International Journal of Plasticity, Vol. 37
  • DOI: 10.1016/j.ijplas.2012.03.012

Atomistically informed crystal plasticity model for body-centered cubic iron
journal, May 2012

Application of generalized non-Schmid yield law to low-temperature plasticity in bcc transition metals
journal, May 2013

  • Lim, H.; Weinberger, C. R.; Battaile, C. C.
  • Modelling and Simulation in Materials Science and Engineering, Vol. 21, Issue 4
  • DOI: 10.1088/0965-0393/21/4/045015

Embedded-atom potential for Fe and its application to self-diffusion on Fe(100)
journal, May 2006

Core structure and Peierls potential of screw dislocations in α-Fe from first principles: cluster versus dipole approaches
journal, December 2007

Dislocations and Cracks in Anisotropic Elasticity
journal, June 1958

Steady State Problems in Anisotropic Elasticity
journal, April 1962

Which stresses affect the glide of screw dislocations in bcc metals?
journal, April 2014

A climbing image nudged elastic band method for finding saddle points and minimum energy paths
journal, December 2000

  • Henkelman, Graeme; Uberuaga, Blas P.; Jónsson, Hannes
  • The Journal of Chemical Physics, Vol. 113, Issue 22, p. 9901-9904
  • DOI: 10.1063/1.1329672

Screw dislocation mobility in BCC metals: the role of the compact core on double-kink nucleation
journal, November 2010

  • Gordon, P. A.; Neeraj, T.; Li, Y.
  • Modelling and Simulation in Materials Science and Engineering, Vol. 18, Issue 8
  • DOI: 10.1088/0965-0393/18/8/085008

Multi-scale modeling of low-temperature deformation in b.c.c. metals
journal, November 2011

  • Buchheit, Thomas E.; Battaile, Corbett C.; Weinberger, Christopher R.
  • JOM, Vol. 63, Issue 11
  • DOI: 10.1007/s11837-011-0188-x

Force-matched embedded-atom method potential for niobium
journal, April 2010

    Sort by:
    [ × clear filter / sort ]

    Works referencing / citing this record:

    Plastic anisotropy and dislocation trajectory in BCC metals
    journal, May 2016

    • Dezerald, Lucile; Rodney, David; Clouet, Emmanuel
    • Nature Communications, Vol. 7, Issue 1
    • DOI: 10.1038/ncomms11695

    Non-glide effects and dislocation core fields in BCC metals
    journal, November 2019

    • Kraych, Antoine; Clouet, Emmanuel; Dezerald, Lucile
    • npj Computational Materials, Vol. 5, Issue 1
    • DOI: 10.1038/s41524-019-0247-3
      Sort by:
      [ × clear filter / sort ]

      Similar Records in DOE PAGES and OSTI.GOV collections: