A phase field dislocation dynamics model for a bicrystal interface system: An investigation into dislocation slip transmission across cube-on-cube interfaces

Zeng, Y.; Hunter, A.; Beyerlein, I. J.; Koslowski, M.

doi:10.1016/j.ijplas.2015.09.001

Title: A phase field dislocation dynamics model for a bicrystal interface system: An investigation into dislocation slip transmission across cube-on-cube interfaces

Journal Article · Mon Sep 14 00:00:00 EDT 2015 · International Journal of Plasticity

DOI:https://doi.org/10.1016/j.ijplas.2015.09.001· OSTI ID:1246364

Zeng, Y. ^[1]; Hunter, A. ^[2]; Beyerlein, I. J. ^[2]; Koslowski, M. ^[1]

Purdue Univ., West Lafayette, IN (United States)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

In this study, we present a phase field dislocation dynamics formulation designed to treat a system comprised of two materials differing in moduli and lattice parameters that meet at a common interface. We apply the model to calculate the critical stress τ_crit required to transmit a perfect dislocation across the bimaterial interface with a cube-on-cube orientation relationship. The calculation of τ_crit accounts for the effects of: 1) the lattice mismatch (misfit or coherency stresses), 2) the elastic moduli mismatch (Koehler forces or image stresses), and 3) the formation of the residual dislocation in the interface. Our results show that the value of τ_crit associated with the transmission of a dislocation from material 1 to material 2 is not the same as that from material 2 to material 1. Dislocation transmission from the material with the lower shear modulus and larger lattice parameter tends to be easier than the reverse and this apparent asymmetry in τ_crit generally increases with increases in either lattice or moduli mismatch or both. In efforts to clarify the roles of lattice and moduli mismatch, we construct an analytical model for τcrit based on the formation energy of the residual dislocation. We show that path dependence in this energetic barrier can explain the asymmetry seen in the calculated τ_crit values.

View Accepted Manuscript (DOE)

View Accepted Manuscript (Publisher)

Cite

Export

Save

Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: FG02-07ER46398; 20130745ECR; 20140348ER; AC52-06NA25396

OSTI ID:: 1246364

Alternate ID(s):: OSTI ID: 1252020

Report Number(s):: LA-UR-15-25049; PII: S0749641915001473

Journal Information:: International Journal of Plasticity, Vol. 79, Issue C; ISSN 0749-6419

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 43 works

Citation information provided by
Web of Science

References (50)

Dislocation-Based Deformation Mechanisms in Metallic Nanolaminates Anderson, P. M.; Foecke, T.; Hazzledine, P. M. MRS Bulletin, Vol. 24, Issue 2 https://doi.org/10.1557/S0883769400051514	journal	February 1999
Hall-Petch relations for multilayered materials Anderson, P. M.; Li, C. Nanostructured Materials, Vol. 5, Issue 3 https://doi.org/10.1016/0965-9773(95)00250-I	journal	March 1995
The Critical Stress for Transmission of a Dislocation Across an Interface: Results From Peierls and Embedded Atom Models Anderson, P. M.; Rao, S.; Cheng, Y. MRS Proceedings, Vol. 586 https://doi.org/10.1557/PROC-586-267	journal	January 1999
Nano-enabled orientation alignment via extreme shear strains Beyerlein, I. J.; Carpenter, J. S.; Hunter, A. Scripta Materialia, Vol. 98 https://doi.org/10.1016/j.scriptamat.2014.10.032	journal	March 2015
Defect-interface interactions Beyerlein, I. J.; Demkowicz, M. J.; Misra, A. Progress in Materials Science, Vol. 74 https://doi.org/10.1016/j.pmatsci.2015.02.001	journal	October 2015
Structure–Property–Functionality of Bimetal Interfaces Beyerlein, I. J.; Mara, N. A.; Wang, J. JOM, Vol. 64, Issue 10 https://doi.org/10.1007/s11837-012-0431-0	journal	September 2012
The role of partial mediated slip during quasi-static deformation of 3D nanocrystalline metals Cao, Lei; Hunter, Abigail; Beyerlein, Irene J. Journal of the Mechanics and Physics of Solids, Vol. 78 https://doi.org/10.1016/j.jmps.2015.02.019	journal	May 2015
Deformation Twinning in Nanocrystalline Aluminum Chen, M. Science, Vol. 300, Issue 5623 https://doi.org/10.1126/science.1083727	journal	April 2003
Dislocation models of interfacial shearing induced by an approaching lattice glide dislocation Chu, H. J.; Wang, J.; Beyerlein, I. J. International Journal of Plasticity, Vol. 41 https://doi.org/10.1016/j.ijplas.2012.08.005	journal	February 2013
On dislocation storage and the mechanical response of fine scale microstructures Embury, J. D.; Hirth, J. P. Acta Metallurgica et Materialia, Vol. 42, Issue 6 https://doi.org/10.1016/0956-7151(94)90030-2	journal	June 1994
Dislocation activity and nano-void formation near crack tips in nanocrystalline Ni Farkas, D.; Van Petegem, S.; Derlet, P. M. Acta Materialia, Vol. 53, Issue 11 https://doi.org/10.1016/j.actamat.2005.02.012	journal	June 2005
A rebound mechanism for misfit dislocation creation in metallic nanolayers Henager, C. H.; Hoagland, R. G. Scripta Materialia, Vol. 50, Issue 5 https://doi.org/10.1016/j.scriptamat.2003.09.002	journal	March 2004
Slip resistance of interfaces and the strength of metallic multilayer composites Hoagland, R. G.; Kurtz, R. J.; Henager, C. H. Scripta Materialia, Vol. 50, Issue 6 https://doi.org/10.1016/j.scriptamat.2003.11.059	journal	March 2004
Stacking fault emission from grain boundaries: Material dependencies and grain size effects Hunter, A.; Beyerlein, I. J. Materials Science and Engineering: A, Vol. 600 https://doi.org/10.1016/j.msea.2014.02.030	journal	April 2014
Relationship between monolayer stacking faults and twins in nanocrystals Hunter, A.; Beyerlein, I. J. Acta Materialia, Vol. 88 https://doi.org/10.1016/j.actamat.2014.12.045	journal	April 2015
Large-Scale 3D Phase Field Dislocation Dynamics Simulations On High-Performance Architectures Hunter, Abigail; Saied, Faisal; Le, Chinh The International Journal of High Performance Computing Applications, Vol. 25, Issue 2 https://doi.org/10.1177/1094342010382534	journal	November 2010
The core structure of dislocations and their relationship to the material γ-surface Hunter, A.; Zhang, R. F.; Beyerlein, I. J. Journal of Applied Physics, Vol. 115, Issue 13 https://doi.org/10.1063/1.4870462	journal	April 2014
Attempt to Design a Strong Solid Koehler, J. S. Physical Review B, Vol. 2, Issue 2 https://doi.org/10.1103/PhysRevB.2.547	journal	July 1970
Scaling laws in plastic deformation Koslowski, M. Philosophical Magazine, Vol. 87, Issue 8-9 https://doi.org/10.1080/14786430600854962	journal	March 2007
A phase-field theory of dislocation dynamics, strain hardening and hysteresis in ductile single crystals Koslowski, M.; Cuitiño, A. M.; Ortiz, M. Journal of the Mechanics and Physics of Solids, Vol. 50, Issue 12 https://doi.org/10.1016/S0022-5096(02)00037-6	journal	December 2002
Role of grain boundary energetics on the maximum strength of nanocrystalline Nickel Koslowski, Marisol; Lee, Dong Wook; Lei, Lei Journal of the Mechanics and Physics of Solids, Vol. 59, Issue 7 https://doi.org/10.1016/j.jmps.2011.03.011	journal	July 2011
AnIn Situ transmission electron microscope deformation study of the slip transfer mechanisms in metals Lee, T. C.; Robertson, I. M.; Birnbaum, H. K. Metallurgical Transactions A, Vol. 21, Issue 9 https://doi.org/10.1007/BF02646988	journal	September 1990
Deformation mechanism in nanocrystalline Al: Partial dislocation slip Liao, X. Z.; Zhou, F.; Lavernia, E. J. Applied Physics Letters, Vol. 83, Issue 4 https://doi.org/10.1063/1.1594836	journal	July 2003
Continuity of slip screw and mixed crystal dislocations across bicrystals of nickel at 573 K Lim, L. C.; Raj, R. Acta Metallurgica, Vol. 33, Issue 8 https://doi.org/10.1016/0001-6160(85)90057-4	journal	August 1985
Multiple slip in bicrystal deformation Livingston, J. D.; Chalmers, B. Acta Metallurgica, Vol. 5, Issue 6 https://doi.org/10.1016/0001-6160(57)90044-5	journal	June 1957
Review: effect of bimetal interface structure on the mechanical behavior of Cu–Nb fcc–bcc nanolayered composites Mara, Nathan A.; Beyerlein, Irene J. Journal of Materials Science, Vol. 49, Issue 19 https://doi.org/10.1007/s10853-014-8342-9	journal	July 2014
Atomistic modeling of defect-induced plasticity in CuNb nanocomposites Martínez, Enrique; Caro, Alfredo; Beyerlein, Irene J. Physical Review B, Vol. 90, Issue 5 https://doi.org/10.1103/PhysRevB.90.054103	journal	August 2014
A crystal plasticity study of heterophase interface character stability of Cu/Nb bicrystals Mayeur, J. R.; Beyerlein, I. J.; Bronkhorst, C. A. International Journal of Plasticity, Vol. 48 https://doi.org/10.1016/j.ijplas.2013.02.006	journal	September 2013
Slip transfer and dislocation nucleation processes in multiphase ordered Ni-Fe-Al alloys Misra, A.; Gibala, R. Metallurgical and Materials Transactions A, Vol. 30, Issue 4 https://doi.org/10.1007/s11661-999-0152-3	journal	April 1999
Length-scale-dependent deformation mechanisms in incoherent metallic multilayered composites Misra, A.; Hirth, J. P.; Hoagland, R. G. Acta Materialia, Vol. 53, Issue 18 https://doi.org/10.1016/j.actamat.2005.06.025	journal	October 2005
Enhanced Plasticity via Kinking in Cubic Metallic Nanolaminates: Enhanced Plasticity via Kinking in Cubic Metallic Nanolaminates Nizolek, Thomas; Mara, Nathan A.; Beyerlein, Irene J. Advanced Engineering Materials, Vol. 17, Issue 6 https://doi.org/10.1002/adem.201400324	journal	October 2014
Interaction between a screw dislocation and a bimetallic interface Pacheco, E. S.; Mura, T. Journal of the Mechanics and Physics of Solids, Vol. 17, Issue 3 https://doi.org/10.1016/0022-5096(69)90030-1	journal	June 1969
Atomistic simulations of dislocation–interface interactions in the Cu-Ni multilayer system Rao, S. I.; Hazzledine, P. M. Philosophical Magazine A, Vol. 80, Issue 9 https://doi.org/10.1080/01418610008212148	journal	September 2000
Dynamic observations of the transfer of slip across a grain boundary Robertson, I. M.; Lee, T. C.; Rozenak, P. Ultramicroscopy, Vol. 30, Issue 1-2 https://doi.org/10.1016/0304-3991(89)90174-5	journal	June 1989
Overview of constitutive laws, kinematics, homogenization and multiscale methods in crystal plasticity finite-element modeling: Theory, experiments, applications Roters, F.; Eisenlohr, P.; Hantcherli, L. Acta Materialia, Vol. 58, Issue 4 https://doi.org/10.1016/j.actamat.2009.10.058	journal	February 2010
A Maximum in the Strength of Nanocrystalline Copper Schiotz, J. Science, Vol. 301, Issue 5638 https://doi.org/10.1126/science.1086636	journal	September 2003
Grain Boundary-Mediated Plasticity in Nanocrystalline Nickel Shan, Z. Science, Vol. 305, Issue 5684 https://doi.org/10.1126/science.1098741	journal	July 2004
Dislocation transmission across the Cu/Ni interface: a hybrid atomistic–continuum study Shehadeh, M. A.; Lu, G.; Banerjee, S. Philosophical Magazine, Vol. 87, Issue 10 https://doi.org/10.1080/14786430601055379	journal	February 2007
Transmission of a screw dislocation across a coherent, non-slipping interface Shen, Y.; Anderson, P. Journal of the Mechanics and Physics of Solids, Vol. 55, Issue 5 https://doi.org/10.1016/j.jmps.2006.11.005	journal	May 2007
Internal stresses and strains in coherent multilayers Shoykhet, B.; Grinfeld, M. A.; Hazzledine, P. M. Acta Materialia, Vol. 46, Issue 11 https://doi.org/10.1016/S1359-6454(97)00244-9	journal	July 1998
Stacking fault energies and slip in nanocrystalline metals Van Swygenhoven, H.; Derlet, P. M.; Frøseth, A. G. Nature Materials, Vol. 3, Issue 6 https://doi.org/10.1038/nmat1136	journal	May 2004
Microscopic description of plasticity in computer generated metallic nanophase samples: a comparison between Cu and Ni Van Swygenhoven, H.; Spaczer, M.; Caro, A. Acta Materialia, Vol. 47, Issue 10 https://doi.org/10.1016/S1359-6454(99)00109-3	journal	August 1999
Competing plastic deformation mechanisms in nanophase metals Van Swygenhoven, H.; Spaczer, M.; Caro, A. Physical Review B, Vol. 60, Issue 1 https://doi.org/10.1103/PhysRevB.60.22	journal	July 1999
Interface-facilitated deformation twinning in copper within submicron Ag–Cu multilayered composites Wang, Jian; Beyerlein, Irene J.; Mara, Nathan A. Scripta Materialia, Vol. 64, Issue 12 https://doi.org/10.1016/j.scriptamat.2011.02.025	journal	June 2011
Atomistic modeling of the interaction of glide dislocations with “weak” interfaces Wang, J.; Hoagland, R. G.; Hirth, J. P. Acta Materialia, Vol. 56, Issue 19 https://doi.org/10.1016/j.actamat.2008.07.041	journal	November 2008
Nanoscale phase field microelasticity theory of dislocations: model and 3D simulations Wang, Y. U.; Jin, Y. M.; Cuitiño, A. M. Acta Materialia, Vol. 49, Issue 10 https://doi.org/10.1016/S1359-6454(01)00075-1	journal	June 2001
Phase field microelasticity modeling of dislocation dynamics near free surface and in heteroepitaxial thin films Wang, Yu U.; Jin, Yongmei M.; Khachaturyan, Armen G. Acta Materialia, Vol. 51, Issue 14 https://doi.org/10.1016/S1359-6454(03)00238-6	journal	August 2003
Phase boundaries as obstacle to dislocations motion Werner, Ewald; Stüwe, Hein Peter Materials Science and Engineering, Vol. 68, Issue 2 https://doi.org/10.1016/0025-5416(85)90406-9	journal	January 1985
Deformation mechanism crossover and mechanical behaviour in nanocrystalline materials Yamakov, V.; Wolf, D.; Phillpot, S. R. Philosophical Magazine Letters, Vol. 83, Issue 6 https://doi.org/10.1080/09500830031000120891	journal	June 2003
Deformation-mechanism map for nanocrystalline metals by molecular-dynamics simulation Yamakov, V.; Wolf, D.; Phillpot, S. R. Nature Materials, Vol. 3, Issue 1 https://doi.org/10.1038/nmat1035	journal	December 2003

Cited By (6)

A review of slip transfer: applications of mesoscale techniques Hunter, Abigail; Leu, Brandon; Beyerlein, Irene J. Journal of Materials Science, Vol. 53, Issue 8 https://doi.org/10.1007/s10853-017-1844-5	journal	December 2017
Room temperature deformation mechanisms of Mg/Nb nanolayered composites Ardeljan, Milan; Knezevic, Marko; Jain, Manish Journal of Materials Research, Vol. 33, Issue 10 https://doi.org/10.1557/jmr.2018.107	journal	May 2018
A computational approach towards modelling dislocation transmission across phase boundaries Bormann, F.; Peerlings, R. H. J.; Geers, M. G. D. Philosophical Magazine, Vol. 99, Issue 17 https://doi.org/10.1080/14786435.2019.1612961	journal	May 2019
A computational approach towards modelling dislocation transmission across phase boundaries Bormann, F.; Peerlings, R. H. J.; Geers, M. G. D. RWTH Aachen University https://doi.org/10.18154/rwth-2019-05476	text	January 2019
A computational approach towards modelling dislocation transmission across phase boundary Bormann, F.; Peerlings, R. H. J.; Geers, M. G. D. arXiv https://doi.org/10.48550/arxiv.1810.08052	text	January 2018
The Peierls--Nabarro FE model in two-phase microstructures -- a comparison with atomistics Bormann, F.; Mikeš, K.; Rokoš, O. arXiv https://doi.org/10.48550/arxiv.1811.00408	text	January 2018

Similar Records

Atomistic Simulations of Steps in Bimetallic Interfaces as Barriers to Interface Slip Transmission

Conference · Sun Nov 25 00:00:00 EST 2001 · OSTI ID:1246364

Henager, Charles H; Heinisch, Howard L; Kurtz, Richard J; +1 more

Study of misfit dislocations at the interface of weakly bonded metal/metal systems

Journal Article · Fri Mar 01 00:00:00 EST 1991 · Acta Metallurgica; (United States) · OSTI ID:1246364

Wolf, U; Fischmeister, H F; Foiles, S M

Interface dislocations in superalloy single crystals

Journal Article · Tue Jun 22 00:00:00 EDT 1999 · Acta Materialia · OSTI ID:1246364

Probst-Hein, M; Eggeler, G; Dlouhy, A

Related Subjects

36 MATERIALS SCIENCE
97 MATHEMATICS AND COMPUTING
77 NANOSCIENCE AND NANOTECHNOLOGY
A. Dislocations
B. Crystal plasticity
B. Metallic material

Title: A phase field dislocation dynamics model for a bicrystal interface system: An investigation into dislocation slip transmission across cube-on-cube interfaces

Citation Formats

References (50)

Cited By (6)

Similar Records

Related Subjects