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

Hale, Lucas M.; Lim, Hojun; Zimmerman, Jonathan A.; Battaile, Corbett C.; Weinberger, Christopher R.

doi:10.1016/j.scriptamat.2014.11.035

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

Journal Article · Thu Dec 18 00:00:00 EST 2014 · Scripta Materialia

DOI:https://doi.org/10.1016/j.scriptamat.2014.11.035· OSTI ID:1141106

Hale, Lucas M. ^[1]; Lim, Hojun ^[2]; Zimmerman, Jonathan A. ^[1]; Battaile, Corbett C. ^[2]; Weinberger, Christopher R.

Sandia National Lab. (SNL-CA), Livermore, CA (United States)
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

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.

View Accepted Manuscript (DOE)

Research Organization:: Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE; USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC04-94AL85000

OSTI ID:: 1141106

Alternate ID(s):: OSTI ID: 22471331
OSTI ID: 1251508

Report Number(s):: SAND--2014-1895J; PII: S1359646214005089

Journal Information:: Scripta Materialia, Journal Name: Scripta Materialia Journal Issue: C Vol. 99; ISSN 1359-6462

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

References (24)

Steady State Problems in Anisotropic Elasticity Stroh, A. N. Journal of Mathematics and Physics, Vol. 41, Issue 1-4 https://doi.org/10.1002/sapm196241177	journal	April 1962
Some surprising features of the plastic deformation of body-centered cubic metals and alloys Christian, J. W. Metallurgical Transactions A, Vol. 14, Issue 7 https://doi.org/10.1007/BF02664806	journal	July 1983
Core structure and Peierls potential of screw dislocations in α-Fe from first principles: cluster versus dipole approaches Ventelon, Lisa; Willaime, F. Journal of Computer-Aided Materials Design, Vol. 14, Issue S1 https://doi.org/10.1007/s10820-007-9064-y	journal	December 2007
Multi-scale modeling of low-temperature deformation in b.c.c. metals Buchheit, Thomas E.; Battaile, Corbett C.; Weinberger, Christopher R. JOM, Vol. 63, Issue 11 https://doi.org/10.1007/s11837-011-0188-x	journal	November 2011
Anomalous slip in a B.C.C. crystal observed in computer simulation of screw dislocation motion Takeuchi, S.; Kuramoto, E. Scripta Metallurgica, Vol. 8, Issue 7 https://doi.org/10.1016/0036-9748(74)90294-4	journal	July 1974
Atomistic simulation of kink-pairs of screw dislocations in body-centred cubic iron Wen, M.; Ngan, A. H. W. Acta Materialia, Vol. 48, Issue 17 https://doi.org/10.1016/S1359-6454(00)00288-3	journal	November 2000
Plastic anisotropy in b.c.c. transition metals Duesbery, M. S.; Vitek, V. Acta Materialia, Vol. 46, Issue 5 https://doi.org/10.1016/S1359-6454(97)00367-4	journal	March 1998
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 Gröger, R.; Bailey, A. G.; Vitek, V. Acta Materialia, Vol. 56, Issue 19 https://doi.org/10.1016/j.actamat.2008.07.018	journal	November 2008
Multiscale modeling of plastic deformation of molybdenum and tungsten. III. Effects of temperature and plastic strain rate Gröger, R.; Vitek, V. Acta Materialia, Vol. 56, Issue 19 https://doi.org/10.1016/j.actamat.2008.07.027	journal	November 2008
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 Gröger, R.; Racherla, V.; Bassani, J. L. Acta Materialia, Vol. 56, Issue 19 https://doi.org/10.1016/j.actamat.2008.07.037	journal	November 2008
Atomistically informed crystal plasticity model for body-centered cubic iron Koester, Aenne; Ma, Anxin; Hartmaier, Alexander Acta Materialia, Vol. 60, Issue 9 https://doi.org/10.1016/j.actamat.2012.03.053	journal	May 2012
An atomistically-informed dislocation dynamics model for the plastic anisotropy and tension–compression asymmetry of BCC metals Wang, Z. Q.; Beyerlein, I. J. International Journal of Plasticity, Vol. 27, Issue 10 https://doi.org/10.1016/j.ijplas.2010.08.011	journal	October 2011
Incorporating atomistic data of lattice friction into BCC crystal plasticity models Weinberger, Christopher R.; Battaile, Corbett C.; Buchheit, Thomas E. International Journal of Plasticity, Vol. 37 https://doi.org/10.1016/j.ijplas.2012.03.012	journal	October 2012
Dislocation motion in tungsten: Atomistic input to discrete dislocation simulations Srivastava, K.; Gröger, R.; Weygand, D. International Journal of Plasticity, Vol. 47 https://doi.org/10.1016/j.ijplas.2013.01.014	journal	August 2013
Influence of non-glide stresses on plastic flow: from atomistic to continuum modeling Vitek, V.; Mrovec, M.; Bassani, J. L. Materials Science and Engineering: A, Vol. 365, Issue 1-2 https://doi.org/10.1016/j.msea.2003.09.004	journal	January 2004
Embedded-atom potential for Fe and its application to self-diffusion on Fe(100) Chamati, H.; Papanicolaou, N. I.; Mishin, Y. Surface Science, Vol. 600, Issue 9 https://doi.org/10.1016/j.susc.2006.02.010	journal	May 2006
A climbing image nudged elastic band method for finding saddle points and minimum energy paths Henkelman, Graeme; Uberuaga, Blas P.; Jónsson, Hannes The Journal of Chemical Physics, Vol. 113, Issue 22, p. 9901-9904 https://doi.org/10.1063/1.1329672	journal	December 2000
Which stresses affect the glide of screw dislocations in bcc metals? Gröger, Roman Philosophical Magazine, Vol. 94, Issue 18 https://doi.org/10.1080/14786435.2014.904058	journal	April 2014
Dislocations and Cracks in Anisotropic Elasticity Stroh, A. N. Philosophical Magazine, Vol. 3, Issue 30 https://doi.org/10.1080/14786435808565804	journal	June 1958
Screw dislocation mobility in BCC metals: the role of the compact core on double-kink nucleation Gordon, P. A.; Neeraj, T.; Li, Y. Modelling and Simulation in Materials Science and Engineering, Vol. 18, Issue 8 https://doi.org/10.1088/0965-0393/18/8/085008	journal	November 2010
Application of generalized non-Schmid yield law to low-temperature plasticity in bcc transition metals Lim, H.; Weinberger, C. R.; Battaile, C. C. Modelling and Simulation in Materials Science and Engineering, Vol. 21, Issue 4 https://doi.org/10.1088/0965-0393/21/4/045015	journal	May 2013
Computer Simulation of the Screw Dislocation Motion in b.c.c. Metals under the Effect of the External Shear and Uniaxial Stresses Vitek, V. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 352, Issue 1668 https://doi.org/10.1098/rspa.1976.0166	journal	December 1976
Force-matched embedded-atom method potential for niobium Fellinger, Michael R.; Park, Hyoungki; Wilkins, John W. Physical Review B, Vol. 81, Issue 14 https://doi.org/10.1103/PhysRevB.81.144119	journal	April 2010
Slip planes in bcc transition metals Weinberger, C. R.; Boyce, B. L.; Battaile, C. C. International Materials Reviews, Vol. 58, Issue 5 https://doi.org/10.1179/1743280412Y.0000000015	journal	June 2013

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Non-glide effects and dislocation core fields in BCC metals Kraych, Antoine; Clouet, Emmanuel; Dezerald, Lucile npj Computational Materials, Vol. 5, Issue 1 https://doi.org/10.1038/s41524-019-0247-3	journal	November 2019

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