Dislocation dynamics in polycrystalline materials
Abstract
An extension of the dislocation dynamics method to polycrystalline materials is presented with emphasis on handling interactions between dislocations and grain boundaries. The key new features of the method include: (1) a grain boundary detection algorithm, (2) new dislocation emission criteria based on power dissipation and area growth, (3) mobility of dislocations at grain boundaries, and (4) extension of topological operations e.g. mesh adaption, collision, and dissociation to handle dislocations interacting with grain boundaries. Furthermore, verification and validation examples are executed to compare our calculations with existing analytic methods, molecular dynamics simulations, and experimental observations.
- Authors:
-
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Army Research Lab., Aberdeen Proving Ground, MD (United States)
- Publication Date:
- Research Org.:
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA); US Army Research Laboratory (USARL)
- OSTI Identifier:
- 1605531
- Report Number(s):
- LLNL-JRNL-783204
Journal ID: ISSN 0965-0393; 978864
- Grant/Contract Number:
- AC52-07NA27344
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Modelling and Simulation in Materials Science and Engineering
- Additional Journal Information:
- Journal Volume: 28; Journal Issue: 3; Journal ID: ISSN 0965-0393
- Publisher:
- IOP Publishing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 42 ENGINEERING; 97 MATHEMATICS AND COMPUTING; 36 MATERIALS SCIENCE; dislocation dynamics; polycrystals; grain boundaries; emission; ParaDiS; dislocations
Citation Formats
Cho, Jaehyun, Crone, Joshua C., Arsenlis, Athanasios, and Aubry, Sylvie. Dislocation dynamics in polycrystalline materials. United States: N. p., 2020.
Web. doi:10.1088/1361-651X/ab6da8.
Cho, Jaehyun, Crone, Joshua C., Arsenlis, Athanasios, & Aubry, Sylvie. Dislocation dynamics in polycrystalline materials. United States. https://doi.org/10.1088/1361-651X/ab6da8
Cho, Jaehyun, Crone, Joshua C., Arsenlis, Athanasios, and Aubry, Sylvie. Tue .
"Dislocation dynamics in polycrystalline materials". United States. https://doi.org/10.1088/1361-651X/ab6da8. https://www.osti.gov/servlets/purl/1605531.
@article{osti_1605531,
title = {Dislocation dynamics in polycrystalline materials},
author = {Cho, Jaehyun and Crone, Joshua C. and Arsenlis, Athanasios and Aubry, Sylvie},
abstractNote = {An extension of the dislocation dynamics method to polycrystalline materials is presented with emphasis on handling interactions between dislocations and grain boundaries. The key new features of the method include: (1) a grain boundary detection algorithm, (2) new dislocation emission criteria based on power dissipation and area growth, (3) mobility of dislocations at grain boundaries, and (4) extension of topological operations e.g. mesh adaption, collision, and dissociation to handle dislocations interacting with grain boundaries. Furthermore, verification and validation examples are executed to compare our calculations with existing analytic methods, molecular dynamics simulations, and experimental observations.},
doi = {10.1088/1361-651X/ab6da8},
journal = {Modelling and Simulation in Materials Science and Engineering},
number = 3,
volume = 28,
place = {United States},
year = {Tue Feb 11 00:00:00 EST 2020},
month = {Tue Feb 11 00:00:00 EST 2020}
}
Web of Science
Works referenced in this record:
Mobility of Dislocations in Grain Boundaries
journal, October 1988
- Grabski, M. W.
- Le Journal de Physique Colloques, Vol. 49, Issue C5
Fast, Memory-Efficient Cell Location in Unstructured Grids for Visualization
journal, November 2010
- Garth, Christoph; Joy, Kenneth I.
- IEEE Transactions on Visualization and Computer Graphics, Vol. 16, Issue 6
On plastic deformation and the dynamics of 3D dislocations
journal, February 1998
- Zbib, Hussein M.; Rhee, Moono; Hirth, John P.
- International Journal of Mechanical Sciences, Vol. 40, Issue 2-3
Low temperature deformation in iron studied with dislocation dynamics simulations
journal, January 2010
- Naamane, S.; Monnet, G.; Devincre, B.
- International Journal of Plasticity, Vol. 26, Issue 1
Dislocation dynamics in hexagonal close-packed crystals
journal, September 2016
- Aubry, S.; Rhee, M.; Hommes, G.
- Journal of the Mechanics and Physics of Solids, Vol. 94
Microstructure-sensitive computational modeling of fatigue crack formation
journal, September 2010
- McDowell, D. L.; Dunne, F. P. E.
- International Journal of Fatigue, Vol. 32, Issue 9
Application of the in situ TEM deformation technique to observe how “clean” and doped grain boundaries respond to local stress concentrations
journal, March 1992
- Robertson, I. M.; Lee, T. C.; Birnbaum, H. K.
- Ultramicroscopy, Vol. 40, Issue 3
Modelling grain-boundary resistance in intergranular dislocation slip transmission
journal, September 2002
- Koning, Maurice de; Miller, R.; Bulatov, V. V.
- Philosophical Magazine A, Vol. 82, Issue 13
Nucleation and propagation of dislocations in nanocrystalline fcc metals
journal, April 2006
- Van Swygenhoven, H.; Derlet, P. M.; Frøseth, A. G.
- Acta Materialia, Vol. 54, Issue 7
Interaction of Dislocations with Grain Boundaries
journal, December 1982
- Smith, D. A.
- Le Journal de Physique Colloques, Vol. 43, Issue C6
Dislocation interactions and low-angle grain boundary strengthening
journal, November 2011
- Liu, B.; Raabe, D.; Eisenlohr, P.
- Acta Materialia, Vol. 59, Issue 19
Grain-boundary dislocations and enhanced diffusion in nanocrystalline bulk materials and films
journal, January 2003
- Ovid'ko, I. A.; Sheinerman, A. G.
- Philosophical Magazine, Vol. 83, Issue 13
Yield stress of fine grained materials
journal, August 1998
- Masumura, R. A.; Hazzledine, P. M.; Pande, C. S.
- Acta Materialia, Vol. 46, Issue 13
A multiscale strength model for extreme loading conditions
journal, April 2011
- Barton, N. R.; Bernier, J. V.; Becker, R.
- Journal of Applied Physics, Vol. 109, Issue 7
Tensile-compressive yield asymmetries in high strength wrought magnesium alloys
journal, July 1994
- Ball, E. A.; Prangnell, P. B.
- Scripta Metallurgica et Materialia, Vol. 31, Issue 2
A multiply parallel implementation of finite element-based discrete dislocation dynamics for arbitrary geometries
journal, March 2014
- Crone, Joshua C.; Chung, Peter W.; Leiter, Kenneth W.
- Modelling and Simulation in Materials Science and Engineering, Vol. 22, Issue 3
A molecular dynamics study of polycrystalline fcc metals at the nanoscale: grain boundary structure and its influence on plastic deformation
journal, July 2001
- Van Swygenhoven, H.; Caro, A.; Farkas, D.
- Materials Science and Engineering: A, Vol. 309-310
Atomistic Simulations of Dislocation Pileup: Grain Boundaries Interaction
journal, May 2015
- Wang, Jian
- JOM, Vol. 67, Issue 7
Influence of irradiation damage on slip transfer across grain boundaries
journal, February 2014
- Cui, B.; Kacher, J.; McMurtrey, M.
- Acta Materialia, Vol. 65
Dynamic recrystallisation and the development of microstructure during the high temperature deformation of magnesium
journal, October 1982
- Ion, S. E.; Humphreys, F. J.; White, S. H.
- Acta Metallurgica, Vol. 30, Issue 10
A phenomenological dislocation mobility law for bcc metals
journal, October 2016
- Po, Giacomo; Cui, Yinan; Rivera, David
- Acta Materialia, Vol. 119
Dislocation nucleation in Σ3 asymmetric tilt grain boundaries
journal, February 2008
- Tschopp, M. A.; McDowell, D. L.
- International Journal of Plasticity, Vol. 24, Issue 2
Emission of dislocations from grain boundaries by grain boundary dissociation
journal, December 2014
- Hoagland, Richard G.; Valone, Steven M.
- Philosophical Magazine, Vol. 95, Issue 2
Dislocation processes in the deformation of nanocrystalline aluminium by molecular-dynamics simulation
journal, September 2002
- Yamakov, Vesselin; Wolf, Dieter; Phillpot, Simon R.
- Nature Materials, Vol. 1, Issue 1
Enabling strain hardening simulations with dislocation dynamics
journal, July 2007
- Arsenlis, A.; Cai, W.; Tang, M.
- Modelling and Simulation in Materials Science and Engineering, Vol. 15, Issue 6
Influence of {10-12} extension twinning on the flow behavior of AZ31 Mg alloy
journal, February 2007
- Jiang, Lan; Jonas, John J.; Luo, Alan A.
- Materials Science and Engineering: A, Vol. 445-446
Strengthening and softening mechanisms in nanocrystalline materials under superplastic deformation
journal, April 2004
- Gutkin, M. Yu.; Ovid'ko, I. A.; Skiba, N. V.
- Acta Materialia, Vol. 52, Issue 6
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
Modeling Interface-Dominated Mechanical Behavior of Nanolayered Crystalline Composites
journal, November 2013
- Wang, Jian; Zhou, Caizhi; Beyerlein, Irene J.
- JOM, Vol. 66, Issue 1
Effect of the grain boundary on the evolution of deformation in a bicrystal
journal, June 2005
- Ziegler, A.; Campbell, G. H.; Kumar, M.
- Journal of Materials Science, Vol. 40, Issue 12
Modelling crystal plasticity by 3D dislocation dynamics and the finite element method: The Discrete-Continuous Model revisited
journal, February 2014
- Vattré, A.; Devincre, B.; Feyel, F.
- Journal of the Mechanics and Physics of Solids, Vol. 63
Interfacial dislocation motion and interactions in single-crystal superalloys
journal, October 2014
- Liu, B.; Raabe, D.; Roters, F.
- Acta Materialia, Vol. 79
Interfacial plasticity governs strain rate sensitivity and ductility in nanostructured metals
journal, February 2007
- Zhu, T.; Li, J.; Samanta, A.
- Proceedings of the National Academy of Sciences, Vol. 104, Issue 9
Simulation and modelling of forest hardening in body centre cubic crystals at low temperature
journal, September 1999
- Tang, M.; Devincre, B.; Kubin, L. P.
- Modelling and Simulation in Materials Science and Engineering, Vol. 7, Issue 5
Dynamic observations of the transfer of slip across a grain boundary
journal, June 1989
- Robertson, I. M.; Lee, T. C.; Rozenak, P.
- Ultramicroscopy, Vol. 30, Issue 1-2
Mobility laws in dislocation dynamics simulations
journal, December 2004
- Cai, Wei; Bulatov, Vasily V.
- Materials Science and Engineering: A, Vol. 387-389
Nanodomained Nickel Unite Nanocrystal Strength with Coarse-Grain Ductility
journal, June 2015
- Wu, Xiaolei; Yuan, Fuping; Yang, Muxin
- Scientific Reports, Vol. 5, Issue 1
Multiscale modelling of dislocation/grain boundary interactions. II. Screw dislocations impinging on tilt boundaries in Al
journal, October 2007
- Dewald, M. P.; Curtin, W. A.
- Philosophical Magazine, Vol. 87, Issue 30
Dislocation–grain boundary interaction in 〈111〉 textured thin metal films
journal, September 2010
- Bachurin, D. V.; Weygand, D.; Gumbsch, P.
- Acta Materialia, Vol. 58, Issue 16
Influence of intrinsic kink-like defects on screw dislocation – coherent twin boundary interactions in copper
journal, January 2017
- Fang, Qiongjiali; Sansoz, Frederic
- Acta Materialia, Vol. 123
Size effects in polycrystalline thin films analyzed by discrete dislocation plasticity
journal, May 2005
- Nicola, Lucia; Van der Giessen, Erik; Needleman, Alan
- Thin Solid Films, Vol. 479, Issue 1-2
A non-singular continuum theory of dislocations
journal, March 2006
- Cai, W.; Arsenlis, A.; Weinberger, C.
- Journal of the Mechanics and Physics of Solids, Vol. 54, Issue 3
Interaction Between Lattice and Grain Boundary Dislocations and Their role in Mechanical Properties of Interfaces
journal, April 1985
- Lim, L. C.; Raj, R.
- Le Journal de Physique Colloques, Vol. 46, Issue C4
Coincidence-site lattices and complete pattern-shift in cubic crystals
journal, March 1974
- Grimmer, H.; Bollmann, W.; Warrington, D. H.
- Acta Crystallographica Section A, Vol. 30, Issue 2
The Deformation and Ageing of Mild Steel: II Characteristics of the L ders Deformation
journal, September 1951
- Hall, E. O.
- Proceedings of the Physical Society. Section B, Vol. 64, Issue 9
Overview No. 127The role of the grain boundary plane in cubic polycrystals
journal, March 1998
- Randle, V.
- Acta Materialia, Vol. 46, Issue 5
Structural phase transformations in metallic grain boundaries
journal, May 2013
- Frolov, Timofey; Olmsted, David L.; Asta, Mark
- Nature Communications, Vol. 4, Issue 1
Mobility law of dislocations with several character angles and temperatures in FCC aluminum
journal, March 2017
- Cho, Jaehyun; Molinari, Jean-François; Anciaux, Guillaume
- International Journal of Plasticity, Vol. 90
Quasi-four-dimensional analysis of dislocation interactions with grain boundaries in 304 stainless steel
journal, November 2012
- Kacher, Josh; Robertson, I. M.
- Acta Materialia, Vol. 60, Issue 19
Dislocation mobility and the mechanical response of b.c.c. single crystals: A mesoscopic approach
journal, May 1998
- Tang, M.; Kubin, L. P.; Canova, G. R.
- Acta Materialia, Vol. 46, Issue 9
Micro-scale modeling of interface-dominated mechanical behavior
journal, October 2017
- Shao, Shuai; Misra, Amit; Huang, Hanchen
- Journal of Materials Science, Vol. 53, Issue 8
Sequential slip transfer of mixed-character dislocations across Σ3 coherent twin boundary in FCC metals: a concurrent atomistic-continuum study
journal, January 2016
- Xu, Shuozhi; Xiong, Liming; Chen, Youping
- npj Computational Materials, Vol. 2, Issue 1
In situ nanoindentation study on plasticity and work hardening in aluminium with incoherent twin boundaries
journal, September 2014
- Bufford, D.; Liu, Y.; Wang, J.
- Nature Communications, Vol. 5, Issue 1
In situ and tomographic observations of defect free channel formation in ion irradiated stainless steels
journal, November 2012
- Kacher, J.; Liu, G. S.; Robertson, I. M.
- Micron, Vol. 43, Issue 11
Multiple slip in bicrystal deformation
journal, June 1957
- Livingston, J. D.; Chalmers, B.
- Acta Metallurgica, Vol. 5, Issue 6
Parametric dislocation dynamics: A thermodynamics-based approach to investigations of mesoscopic plastic deformation
journal, January 2000
- Ghoniem, N. M.; Tong, S. -H.; Sun, L. Z.
- Physical Review B, Vol. 61, Issue 2
The role of twinning deformation on the hardening response of polycrystalline magnesium from discrete dislocation dynamics simulations
journal, June 2015
- Fan, Haidong; Aubry, Sylvie; Arsenlis, Athanasios
- Acta Materialia, Vol. 92