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:
-
- Sandia National Lab. (SNL-CA), Livermore, CA (United States)
- 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.
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
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.
@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}
}
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Works referenced in this record:
Some surprising features of the plastic deformation of body-centered cubic metals and alloys
journal, July 1983
- Christian, J. W.
- Metallurgical Transactions A, Vol. 14, Issue 7
Plastic anisotropy in b.c.c. transition metals
journal, March 1998
- Duesbery, M. S.; Vitek, V.
- Acta Materialia, Vol. 46, Issue 5
Multiscale modeling of plastic deformation of molybdenum and tungsten: I. Atomistic studies of the core structure and glide of 1/2〈111〉 screw dislocations at 0K
journal, November 2008
- Gröger, R.; Bailey, A. G.; Vitek, V.
- Acta Materialia, Vol. 56, Issue 19
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
Anomalous slip in a B.C.C. crystal observed in computer simulation of screw dislocation motion
journal, July 1974
- Takeuchi, S.; Kuramoto, E.
- Scripta Metallurgica, Vol. 8, Issue 7
Slip planes in bcc transition metals
journal, June 2013
- Weinberger, C. R.; Boyce, B. L.; Battaile, C. C.
- International Materials Reviews, Vol. 58, Issue 5
Atomistic simulation of kink-pairs of screw dislocations in body-centred cubic iron
journal, November 2000
- Wen, M.; Ngan, A. H. W.
- Acta Materialia, Vol. 48, Issue 17
Influence of non-glide stresses on plastic flow: from atomistic to continuum modeling
journal, January 2004
- Vitek, V.; Mrovec, M.; Bassani, J. L.
- Materials Science and Engineering: A, Vol. 365, Issue 1-2
Multiscale modeling of plastic deformation of molybdenum and tungsten: II. Yield criterion for single crystals based on atomistic studies of glide of 1/2〈111〉 screw dislocations
journal, November 2008
- Gröger, R.; Racherla, V.; Bassani, J. L.
- Acta Materialia, Vol. 56, Issue 19
An atomistically-informed dislocation dynamics model for the plastic anisotropy and tension–compression asymmetry of BCC metals
journal, October 2011
- Wang, Z. Q.; Beyerlein, I. J.
- International Journal of Plasticity, Vol. 27, Issue 10
Dislocation motion in tungsten: Atomistic input to discrete dislocation simulations
journal, August 2013
- Srivastava, K.; Gröger, R.; Weygand, D.
- International Journal of Plasticity, Vol. 47
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
Atomistically informed crystal plasticity model for body-centered cubic iron
journal, May 2012
- Koester, Aenne; Ma, Anxin; Hartmaier, Alexander
- Acta Materialia, Vol. 60, Issue 9
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
Multiscale modeling of plastic deformation of molybdenum and tungsten. III. Effects of temperature and plastic strain rate
journal, November 2008
- Gröger, R.; Vitek, V.
- Acta Materialia, Vol. 56, Issue 19
Embedded-atom potential for Fe and its application to self-diffusion on Fe(100)
journal, May 2006
- Chamati, H.; Papanicolaou, N. I.; Mishin, Y.
- Surface Science, Vol. 600, Issue 9
Core structure and Peierls potential of screw dislocations in α-Fe from first principles: cluster versus dipole approaches
journal, December 2007
- Ventelon, Lisa; Willaime, F.
- Journal of Computer-Aided Materials Design, Vol. 14, Issue S1
Dislocations and Cracks in Anisotropic Elasticity
journal, June 1958
- Stroh, A. N.
- Philosophical Magazine, Vol. 3, Issue 30
Steady State Problems in Anisotropic Elasticity
journal, April 1962
- Stroh, A. N.
- Journal of Mathematics and Physics, Vol. 41, Issue 1-4
Which stresses affect the glide of screw dislocations in bcc metals?
journal, April 2014
- Gröger, Roman
- Philosophical Magazine, Vol. 94, Issue 18
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
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
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
Force-matched embedded-atom method potential for niobium
journal, April 2010
- Fellinger, Michael R.; Park, Hyoungki; Wilkins, John W.
- Physical Review B, Vol. 81, Issue 14
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
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