Disclination-dislocation based model for grain boundary stress field evolution due to slip transmission history and influence on subsequent dislocation transmission
Abstract
This work demonstrates how the structure of a grain boundary (GB) and its evolution due to slip transmission history influences subsequent dislocation transmission. First, a model for the evolution of stress fields within grain boundaries that accounts for the effects of coherent dislocation transmission is introduced. Starting with a disclination-based construct of GBs at minimum energy (equilibrium), the model describes the evolution of the GB stress field to a state characteristic of excess energy (non-equilibrium) due to the incorporation of residual Burgers vector content following sequential slip transmission events. Several essential features of this model are verified via molecular dynamics simulations of lattice dislocation absorption. Second, this model is implemented into a discrete dislocation dynamics (DDD) code and simulations are performed to understand the influence of Non-equilibrium GB stress fields, conditioned by the slip transmission history, on subsequent dislocation transmission. DDD simulations reveal that the critical resolved stress necessary for slip propagation can be reduced by with continued absorption of residual dislocation content. Moreover, DDD simulations prove that a comprehensive consideration of both the binding and driving stresses, and the evolution of the transmission configuration is necessary to quantify the influence of the mechanical state of the GB on slipmore »
- Authors:
-
- Univ. of Florida, Gainesville, FL (United States)
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Publication Date:
- Research Org.:
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Sponsoring Org.:
- USDOE Laboratory Directed Research and Development (LDRD) Program; US Army Research Office (ARO)
- OSTI Identifier:
- 1868248
- Alternate Identifier(s):
- OSTI ID: 1869481
- Report Number(s):
- LA-UR-21-31117
Journal ID: ISSN 0022-5096
- Grant/Contract Number:
- 89233218CNA000001; W911NF-17–1–0194
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of the Mechanics and Physics of Solids
- Additional Journal Information:
- Journal Volume: 165; Journal ID: ISSN 0022-5096
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 42 ENGINEERING; dislocations; grain boundaries; slip transmission
Citation Formats
Bamney, Darshan, Royce, Reyes, Capolungo, Laurent, and Spearot, Douglas E. Disclination-dislocation based model for grain boundary stress field evolution due to slip transmission history and influence on subsequent dislocation transmission. United States: N. p., 2022.
Web. doi:10.1016/j.jmps.2022.104920.
Bamney, Darshan, Royce, Reyes, Capolungo, Laurent, & Spearot, Douglas E. Disclination-dislocation based model for grain boundary stress field evolution due to slip transmission history and influence on subsequent dislocation transmission. United States. https://doi.org/10.1016/j.jmps.2022.104920
Bamney, Darshan, Royce, Reyes, Capolungo, Laurent, and Spearot, Douglas E. Sat .
"Disclination-dislocation based model for grain boundary stress field evolution due to slip transmission history and influence on subsequent dislocation transmission". United States. https://doi.org/10.1016/j.jmps.2022.104920. https://www.osti.gov/servlets/purl/1868248.
@article{osti_1868248,
title = {Disclination-dislocation based model for grain boundary stress field evolution due to slip transmission history and influence on subsequent dislocation transmission},
author = {Bamney, Darshan and Royce, Reyes and Capolungo, Laurent and Spearot, Douglas E.},
abstractNote = {This work demonstrates how the structure of a grain boundary (GB) and its evolution due to slip transmission history influences subsequent dislocation transmission. First, a model for the evolution of stress fields within grain boundaries that accounts for the effects of coherent dislocation transmission is introduced. Starting with a disclination-based construct of GBs at minimum energy (equilibrium), the model describes the evolution of the GB stress field to a state characteristic of excess energy (non-equilibrium) due to the incorporation of residual Burgers vector content following sequential slip transmission events. Several essential features of this model are verified via molecular dynamics simulations of lattice dislocation absorption. Second, this model is implemented into a discrete dislocation dynamics (DDD) code and simulations are performed to understand the influence of Non-equilibrium GB stress fields, conditioned by the slip transmission history, on subsequent dislocation transmission. DDD simulations reveal that the critical resolved stress necessary for slip propagation can be reduced by with continued absorption of residual dislocation content. Moreover, DDD simulations prove that a comprehensive consideration of both the binding and driving stresses, and the evolution of the transmission configuration is necessary to quantify the influence of the mechanical state of the GB on slip propagation. In general, this work provides important insights into the role of GB structure evolution, conditioned by prior deformation history, on intergranular plasticity.},
doi = {10.1016/j.jmps.2022.104920},
journal = {Journal of the Mechanics and Physics of Solids},
number = ,
volume = 165,
place = {United States},
year = {Sat May 07 00:00:00 EDT 2022},
month = {Sat May 07 00:00:00 EDT 2022}
}
Works referenced in this record:
Dislocation dynamics in polycrystalline materials
journal, February 2020
- Cho, Jaehyun; Crone, Joshua C.; Arsenlis, Athanasios
- Modelling and Simulation in Materials Science and Engineering, Vol. 28, Issue 3
Prediction of slip transfer mechanisms across grain boundaries
journal, August 1989
- Lee, T. C.; Robertson, I. M.; Birnbaum, H. K.
- Scripta Metallurgica, Vol. 23, Issue 8
Theory of disclinations: IV. Straight disclinations
journal, September 1973
- deWit, Roland
- Journal of Research of the National Bureau of Standards Section A: Physics and Chemistry, Vol. 77A, Issue 5
Characterization and visualization of the lattice misfit associated with dislocation cores
journal, March 2005
- Hartley, C.; Mishin, Y.
- Acta Materialia, Vol. 53, Issue 5
Role of equilibrium and non-equilibrium grain boundary stress fields on dislocation transmission
journal, March 2021
- Bamney, Darshan; Capolungo, Laurent; Spearot, Douglas E.
- Journal of Materials Research, Vol. 36, Issue 13
A complete grain-level assessment of the stress-strain evolution and associated deformation response in polycrystalline alloys
journal, December 2020
- Sangid, Michael D.; Rotella, John; Naragani, Diwakar
- Acta Materialia, Vol. 201
Toward a further understanding of intermittent plastic responses in the compressed single/bicrystalline micropillars
journal, May 2012
- Fan, Haidong; Li, Zhenhuan; Huang, Minsheng
- Scripta Materialia, Vol. 66, Issue 10
Incorporation model for the spreading of extrinsic grain boundary dislocations
journal, October 1990
- Nazarov, A. A.; Romanov, A. E.; Valiev, R. Z.
- Scripta Metallurgica et Materialia, Vol. 24, Issue 10
An analysis of exhaustion hardening in micron-scale plasticity
journal, July 2008
- Benzerga, A. A.
- International Journal of Plasticity, Vol. 24, Issue 7
Slip transfer through a general high angle grain boundary in nanocrystalline aluminum
journal, September 2007
- Brandl, C.; Bitzek, E.; Derlet, P. M.
- Applied Physics Letters, Vol. 91, Issue 11
Energy of slip transmission and nucleation at grain boundaries
journal, January 2011
- Sangid, Michael D.; Ezaz, Tawhid; Sehitoglu, Huseyin
- Acta Materialia, Vol. 59, Issue 1
Insights on slip transmission at grain boundaries from atomistic simulations
journal, August 2014
- Spearot, Douglas E.; Sangid, Michael D.
- Current Opinion in Solid State and Materials Science, Vol. 18, Issue 4
Dislocation interactions and low-angle grain boundary strengthening
journal, November 2011
- Liu, B.; Raabe, D.; Eisenlohr, P.
- Acta Materialia, Vol. 59, Issue 19
Non-equilibrium state and recovery of grain boundary structure. II. Energetic Analysis
journal, July 1983
- Valiev, R. Z.; Gertsman, V. Yu.; Kaibyshev, O. A.
- Physica Status Solidi (a), Vol. 78, Issue 1
Dislocation shear loops in anisotropic crystals
journal, October 1974
- Scattergood, R. O.; Bacon, D. J.
- Physica Status Solidi (a), Vol. 25, Issue 2
Polycrystal deformation in a discrete dislocation dynamics framework
journal, August 2014
- Quek, Siu Sin; Wu, Zhaoxuan; Zhang, Yong Wei
- Acta Materialia, Vol. 75
Resolving the sign ambiguity in the singular value decomposition
journal, January 2008
- Bro, R.; Acar, E.; Kolda, Tamara G.
- Journal of Chemometrics, Vol. 22, Issue 2
Atomistic Simulations of Dislocation Pileup: Grain Boundaries Interaction
journal, May 2015
- Wang, Jian
- JOM, Vol. 67, Issue 7
Atomistic Modeling of Grain Boundaries and Dislocation Processes in Metallic Polycrystalline Materials
journal, August 2009
- Spearot, Douglas E.; McDowell, David L.
- Journal of Engineering Materials and Technology, Vol. 131, Issue 4
Interaction of dislocations with low angle tilt boundaries in fcc crystals
journal, February 2015
- Verdhan, Naisheel; Kapoor, Rajeev
- Computational Materials Science, Vol. 98
Grain boundary effect on nanoindentation: A multiscale discrete dislocation dynamics model
journal, May 2019
- Lu, Songjiang; Zhang, Bo; Li, Xiangyu
- Journal of the Mechanics and Physics of Solids, Vol. 126
Crack nucleation from a wedge disclination dipole with shift of rotation axes
journal, May 2018
- Wu, Mao S.
- International Journal of Fracture, Vol. 212, Issue 1
On the structure, stress fields and energy of nonequilibrium grain boundaries
journal, April 1993
- Nazarov, A. A.; Romanov, A. E.; Valiev, R. Z.
- Acta Metallurgica et Materialia, Vol. 41, Issue 4
Mechanisms of grain boundary softening and strain-rate sensitivity in deformation of ultrafine-grained metals at high temperatures
journal, June 2011
- Ahmed, Naveed; Hartmaier, Alexander
- Acta Materialia, Vol. 59, Issue 11
Atomistic survey of grain boundary-dislocation interactions in FCC nickel
journal, June 2019
- Adams, Devin W.; Fullwood, David T.; Wagoner, Robert H.
- Computational Materials Science, Vol. 164
Disconnections in tilt walls
journal, September 2006
- Hirth, J. P.; Pond, R. C.; Lothe, J.
- Acta Materialia, Vol. 54, Issue 16
Inter- and intragranular plasticity mechanisms in ultrafine-grained Al thin films: An in situ TEM study
journal, January 2013
- Mompiou, F.; Legros, M.; Boé, A.
- Acta Materialia, Vol. 61, Issue 1
Atomistic simulations of interactions between the 1 / 2⟨111⟩ edge dislocation and symmetric tilt grain boundaries in tungsten
journal, February 2008
- Cheng, Y.; Mrovec, M.; Gumbsch, P.
- Philosophical Magazine, Vol. 88, Issue 4
The interaction mechanism of screw dislocations with coherent twin boundaries in different face-centred cubic metals
journal, March 2006
- Jin, Z. -H.; Gumbsch, P.; Ma, E.
- Scripta Materialia, Vol. 54, Issue 6
Mesoscopic simulations of plastic deformation
journal, July 2001
- Devincre, B.; Kubin, L. P.; Lemarchand, C.
- Materials Science and Engineering: A, Vol. 309-310
AnIn Situ transmission electron microscope deformation study of the slip transfer mechanisms in metals
journal, September 1990
- Lee, T. C.; Robertson, I. M.; Birnbaum, H. K.
- Metallurgical Transactions A, Vol. 21, Issue 9
The mechanisms governing the activation of dislocation sources in aluminum at different strain rates
journal, November 2015
- Gurrutxaga-Lerma, B.; Balint, D. S.; Dini, D.
- Journal of the Mechanics and Physics of Solids, Vol. 84
On the kinetics of a Frank-Read source
journal, December 1979
- Steif, P. S.; Clifton, R. J.
- Materials Science and Engineering, Vol. 41, Issue 2
Modeling of dislocation–grain boundary interactions in FCC metals
journal, December 2003
- de Koning, M.; Kurtz, R. J.; Bulatov, V. V.
- Journal of Nuclear Materials, Vol. 323, Issue 2-3
An automatic and simple method for specifying dislocation features in atomistic simulations
journal, March 2015
- Dai, Fu-Zhi; Zhang, Wen-Zheng
- Computer Physics Communications, Vol. 188
Nanoscale dislocation shear loops at static equilibrium and finite temperature
journal, November 2017
- Dang, Khanh; Capolungo, Laurent; Spearot, Douglas E.
- Modelling and Simulation in Materials Science and Engineering, Vol. 25, Issue 8
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
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
Multiscale modelling of dislocation/grain-boundary interactions: I. Edge dislocations impinging on Σ11 (1 1 3) tilt boundary in Al
journal, December 2006
- Dewald, M. P.; Curtin, W. A.
- Modelling and Simulation in Materials Science and Engineering, Vol. 15, Issue 1
On the strength of dislocation interactions and their effect on latent hardening in pure Magnesium
journal, November 2014
- Bertin, N.; Tomé, C. N.; Beyerlein, I. J.
- International Journal of Plasticity, Vol. 62
Identification of Secondary Dislocations by Singular Value Decomposition of the Nye Tensor
journal, August 2014
- Dai, Fuzhi; Zhang, Wenzheng
- Acta Metallurgica Sinica (English Letters), Vol. 27, Issue 6
On the interaction of solutes with grain boundaries
journal, February 2016
- Dingreville, Rémi; Berbenni, Stéphane
- Acta Materialia, Vol. 104
The effect of dislocation self-interaction on the orowan stress
journal, December 1973
- Bacon, D. J.; Kocks, U. F.; Scattergood, R. O.
- Philosophical Magazine, Vol. 28, Issue 6
Energetics of residual dislocations associated with slip–twin and slip–GBs interactions
journal, April 2012
- Sangid, Michael D.; Ezaz, Tawhid; Sehitoglu, Huseyin
- Materials Science and Engineering: A, Vol. 542
Dislocation–grain boundary interaction-based discrete dislocation dynamics modeling and its application to bicrystals with different misorientations
journal, January 2021
- Zhang, Xu; Lu, Songjiang; Zhang, Bo
- Acta Materialia, Vol. 202
A new look at the atomic level virial stress: on continuum-molecular system equivalence
journal, September 2003
- Zhou, Min
- Proceedings of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences, Vol. 459, Issue 2037
Interatomic potentials for monoatomic metals from experimental data and ab initio calculations
journal, February 1999
- Mishin, Y.; Farkas, D.; Mehl, M. J.
- Physical Review B, Vol. 59, Issue 5
Strengthening mechanism in micro-polycrystals with penetrable grain boundaries by discrete dislocation dynamics simulation and Hall–Petch effect
journal, October 2009
- Li, Zhenhuan; Hou, Chuantao; Huang, Minsheng
- Computational Materials Science, Vol. 46, Issue 4
Mobility of dislocations in Aluminum: Faceting and asymmetry during nanoscale dislocation shear loop expansion
journal, April 2019
- Dang, Khanh; Bamney, Darshan; Bootsita, Kanis
- Acta Materialia, Vol. 168
Disconnections and other defects associated with twin interfaces
journal, October 2016
- Hirth, J. P.; Wang, J.; Tomé, C. N.
- Progress in Materials Science, Vol. 83
Dislocation dynamics in polycrystals with atomistic-informed mechanisms of dislocation - grain boundary interactions
journal, March 2017
- Burbery, N. B.; Po, G.; Das, R.
- Journal of Micromechanics and Molecular Physics, Vol. 02, Issue 01
Continuum interpretation of virial stress in molecular simulations
journal, July 2008
- Subramaniyan, Arun K.; Sun, C. T.
- International Journal of Solids and Structures, Vol. 45, Issue 14-15
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
Multiscale modeling of dislocation/grain-boundary interactions: III. 60° dislocations impinging on Σ3, Σ9 and Σ11 tilt boundaries in Al
journal, June 2011
- Dewald, M.; Curtin, W. A.
- Modelling and Simulation in Materials Science and Engineering, Vol. 19, Issue 5
Grain Boundary Sliding and Slip Transmission in High Purity Aluminum
journal, May 2019
- Linne, M. A.; Venkataraman, A.; Sangid, M. D.
- Experimental Mechanics, Vol. 59, Issue 5
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
Multiple slip in bicrystal deformation
journal, June 1957
- Livingston, J. D.; Chalmers, B.
- Acta Metallurgica, Vol. 5, Issue 6
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
Dislocation nucleation and defect structure during surface indentation
journal, November 1998
- Kelchner, Cynthia L.; Plimpton, S. J.; Hamilton, J. C.
- Physical Review B, Vol. 58, Issue 17
Slip transfer and plastic strain accumulation across grain boundaries in Hastelloy X
journal, June 2012
- Abuzaid, Wael Z.; Sangid, Michael D.; Carroll, Jay D.
- Journal of the Mechanics and Physics of Solids, Vol. 60, Issue 6