Crystal plasticity modeling for the strengthening effect of multilayered copper–graphene nanocomposites

Jeong, Juyoung; Voyiadjis, George Z.

doi:10.1016/j.jmps.2023.105468

Title: Crystal plasticity modeling for the strengthening effect of multilayered copper–graphene nanocomposites

Journal Article · Fri Oct 20 00:00:00 EDT 2023 · Journal of the Mechanics and Physics of Solids

DOI:https://doi.org/10.1016/j.jmps.2023.105468· OSTI ID:2205065

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Louisiana State University, Baton Rouge, LA (United States)

The paper explores plastic deformation mechanisms in metal–graphene nanocomposites, illustrating their material strengthening effects through a crystal plasticity finite element (CPFE) model. This model is compared with published experimental results, which have previously shown that the two-dimensional shape of graphene effectively controls dislocation motion and significantly enhances the strength of metals. Simulated nanopillar compression tests, using a physics-based CP model that incorporates surface nucleation and single-arm source dislocation mechanisms, help us understand dislocation motions at submicron length scales. The crystal plasticity models are applied to nanolayered composites with copper grain layers and monolayer graphene, featuring repeat layer spacings of 200 nm, 125 nm, and 70 nm, respectively. This study quantifies the accumulation of dislocations at the graphene interfaces, contributing to the ultra-high strength of copper–graphene composites. Furthermore, a Hall–Petch-like correlation is established between yield strength and the number of embedded graphene layers.

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

Sponsoring Organization:: Universities/Institutions

Grant/Contract Number:: 89233218CNA000001

OSTI ID:: 2205065

Report Number(s):: LA-UR-23-29880

Journal Information:: Journal of the Mechanics and Physics of Solids, Vol. 181; ISSN 0022-5096

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

References (76)

Thermo-mechanical strain gradient plasticity with energetic and dissipative length scales Voyiadjis, George Z.; Faghihi, Danial International Journal of Plasticity, Vol. 30-31 https://doi.org/10.1016/j.ijplas.2011.10.007	journal	March 2012
Source-based strengthening of sub-micrometer Al fibers Mompiou, Frédéric; Legros, Marc; Sedlmayr, Andreas Acta Materialia, Vol. 60, Issue 3 https://doi.org/10.1016/j.actamat.2011.11.005	journal	February 2012
A dislocation dynamics analysis of the critical cross-slip annihilation distance and the cyclic saturation stress in fcc single crystals at different temperatures Pauš, Petr; Kratochvíl, Jan; Beneš, Michal Acta Materialia, Vol. 61, Issue 20 https://doi.org/10.1016/j.actamat.2013.09.032	journal	December 2013
Dislocation-density evolution and pileups in bicrystalline systems Chen, Muh-Jang; Xie, Dongyue; Li, Nan Materials Science and Engineering: A, Vol. 870 https://doi.org/10.1016/j.msea.2023.144812	journal	April 2023
Kinetic Monte Carlo Simulations of Initial Process of Solute Atom Cluster Formations Based on ab initio Data Base Betsuyaku, Kiyoshi; Ohnuma, Toshiharu; Soneda, Naoki Progress in Nuclear Science and Technology, Vol. 2, Issue 0 https://doi.org/10.15669/pnst.2.538	journal	October 2011
Efficient Transfer of Large-Area Graphene Films onto Rigid Substrates by Hot Pressing Kang, Junmo; Hwang, Soonhwi; Kim, Jae Hwan ACS Nano, Vol. 6, Issue 6 https://doi.org/10.1021/nn301207d	journal	June 2012
Experimental lower bounds on geometrically necessary dislocation density Kysar, J. W.; Saito, Y.; Oztop, M. S. International Journal of Plasticity, Vol. 26, Issue 8 https://doi.org/10.1016/j.ijplas.2010.03.009	journal	August 2010
Plasticity size effects in voided crystals Hussein, M.; Borg, U.; Niordson, C. Journal of the Mechanics and Physics of Solids, Vol. 56, Issue 1 https://doi.org/10.1016/j.jmps.2007.05.004	journal	January 2008
A simple technique for avoiding convergence problems in finite element simulations of crack nucleation and growth on cohesive interfaces Gao, Y. F.; Bower, A. F. Modelling and Simulation in Materials Science and Engineering, Vol. 12, Issue 3 https://doi.org/10.1088/0965-0393/12/3/007	journal	March 2004
Strengthening effect of single-atomic-layer graphene in metal–graphene nanolayered composites Kim, Youbin; Lee, Jinsup; Yeom, Min Sun Nature Communications, Vol. 4, Issue 1 https://doi.org/10.1038/ncomms3114	journal	July 2013
Temperature Variation of the Elastic Constants of Cubic Elements. I. Copper Overton, W. C.; Gaffney, John Physical Review, Vol. 98, Issue 4 https://doi.org/10.1103/PhysRev.98.969	journal	May 1955
Nanoscale gold pillars strengthened through dislocation starvation Greer, Julia R.; Nix, William D. Physical Review B, Vol. 73, Issue 24 https://doi.org/10.1103/PhysRevB.73.245410	journal	June 2006
�ber den Einflu� thermisch angeregter Schallwellen auf die plastische Deformation Leibfried, G�nther Zeitschrift f�r Physik, Vol. 127, Issue 4 https://doi.org/10.1007/BF01329831	journal	August 1950
Direct Formation of Wafer Scale Graphene Thin Layers on Insulating Substrates by Chemical Vapor Deposition Su, Ching-Yuan; Lu, Ang-Yu; Wu, Chih-Yu Nano Letters, Vol. 11, Issue 9 https://doi.org/10.1021/nl201362n	journal	September 2011
Mechanical and microstructural single-crystal Bauschinger effects: Observation of reversible plasticity in copper during bending Demir, Eralp; Raabe, Dierk Acta Materialia, Vol. 58, Issue 18 https://doi.org/10.1016/j.actamat.2010.07.023	journal	October 2010
Graphene: Status and Prospects Geim, A. K. Science, Vol. 324, Issue 5934, p. 1530-1534 https://doi.org/10.1126/science.1158877	journal	June 2009
Simulation of shock wave propagation in single crystal and polycrystalline aluminum Lloyd, J. T.; Clayton, J. D.; Becker, R. International Journal of Plasticity, Vol. 60 https://doi.org/10.1016/j.ijplas.2014.04.012	journal	September 2014
Anisotropic mechanical properties of graphene/copper composites with aligned graphene Chu, Ke; Wang, Fan; Wang, Xiao-hu Materials Science and Engineering: A, Vol. 713 https://doi.org/10.1016/j.msea.2017.12.080	journal	January 2018
Size dependence of mechanical properties of gold at the sub-micron scale Greer, J. R.; Nix, W. D. Applied Physics A, Vol. 80, Issue 8 https://doi.org/10.1007/s00339-005-3204-6	journal	March 2005
In situ observation of dislocation nucleation and escape in a submicrometre aluminium single crystal Oh, Sang Ho; Legros, Marc; Kiener, Daniel Nature Materials, Vol. 8, Issue 2 https://doi.org/10.1038/nmat2370	journal	January 2009
Theory of Dislocation Mobility in Pure Slip Lothe, Jens Journal of Applied Physics, Vol. 33, Issue 6 https://doi.org/10.1063/1.1728907	journal	June 1962
The relation between dislocation density and stress Bilby, B. A.; Gardner, L. R. T.; Smith, E. Acta Metallurgica, Vol. 6, Issue 1 https://doi.org/10.1016/0001-6160(58)90088-9	journal	January 1958
Size-affected single-slip behavior of pure nickel microcrystals Dimiduk, D. M.; Uchic, M. D.; Parthasarathy, T. A. Acta Materialia, Vol. 53, Issue 15 https://doi.org/10.1016/j.actamat.2005.05.023	journal	September 2005
Mechanism-based strain gradient plasticity? I. Theory Gao, H. Journal of the Mechanics and Physics of Solids, Vol. 47, Issue 6 https://doi.org/10.1016/S0022-5096(98)00103-3	journal	April 1999
Steady-state numerical modeling of size effects in micron scale wire drawing Juul, K. J.; Nielsen, K. L.; Niordson, C. F. Journal of Manufacturing Processes, Vol. 25 https://doi.org/10.1016/j.jmapro.2016.12.005	journal	January 2017
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
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
Electrodeposition Cu and roll transfer of graphene for large scale fabrication of Cu-graphene nanolayered composite Kim, Sang-Min; Kim, Wonsik; Hwangbo, Yun 2D Materials, Vol. 6, Issue 4 https://doi.org/10.1088/2053-1583/ab416f	journal	September 2019
Some geometrical relations in dislocated crystals Nye, J. F. Acta Metallurgica, Vol. 1, Issue 2 https://doi.org/10.1016/0001-6160(53)90054-6	journal	March 1953
Athermal mechanisms of size-dependent crystal flow gleaned from three-dimensional discrete dislocation simulations Rao, S. I.; Dimiduk, D. M.; Parthasarathy, T. A. Acta Materialia, Vol. 56, Issue 13 https://doi.org/10.1016/j.actamat.2008.03.011	journal	August 2008
Plastic deformation mechanisms of fcc single crystals at small scales Zhou, Caizhi; Beyerlein, Irene J.; LeSar, Richard Acta Materialia, Vol. 59, Issue 20 https://doi.org/10.1016/j.actamat.2011.08.032	journal	December 2011
Mechanical annealing and source-limited deformation in submicrometre-diameter Ni crystals Shan, Z. W.; Mishra, Raja K.; Syed Asif, S. A. Nature Materials, Vol. 7, Issue 2 https://doi.org/10.1038/nmat2085	journal	December 2007
Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene Lee, C.; Wei, X.; Kysar, J. W. Science, Vol. 321, Issue 5887, p. 385-388 https://doi.org/10.1126/science.1157996	journal	July 2008
Obstacles and sources in dislocation dynamics: Strengthening and statistics of abrupt plastic events in nanopillar compression Papanikolaou, S.; Song, H.; Van der Giessen, E. Journal of the Mechanics and Physics of Solids, Vol. 102 https://doi.org/10.1016/j.jmps.2017.02.004	journal	May 2017
Size dependence of mechanical properties of gold at the micron scale in the absence of strain gradients Greer, Julia R.; Oliver, Warren C.; Nix, William D. Acta Materialia, Vol. 53, Issue 6 https://doi.org/10.1016/j.actamat.2004.12.031	journal	April 2005
Indentation size effects in crystalline materials: A law for strain gradient plasticity Nix, William D.; Gao, Huajian Journal of the Mechanics and Physics of Solids, Vol. 46, Issue 3 https://doi.org/10.1016/S0022-5096(97)00086-0	journal	March 1998
Roll-to-roll production of 30-inch graphene films for transparent electrodes Bae, Sukang; Kim, Hyeongkeun; Lee, Youngbin Nature Nanotechnology, Vol. 5, Issue 8, p. 574-578 https://doi.org/10.1038/nnano.2010.132	journal	June 2010
Theoretical and numerical investigations of single arm dislocation source controlled plastic flow in FCC micropillars Cui, Y. N.; Lin, P.; Liu, Z. L. International Journal of Plasticity, Vol. 55 https://doi.org/10.1016/j.ijplas.2013.11.011	journal	April 2014
An implicit finite element method for simulating inhomogeneous deformation and shear bands of amorphous alloys based on the free-volume model Gao, Y. F. Modelling and Simulation in Materials Science and Engineering, Vol. 14, Issue 8 https://doi.org/10.1088/0965-0393/14/8/004	journal	October 2006
Dislocation structures and their relationship to strength in deformed nickel microcrystals Norfleet, D. M.; Dimiduk, D. M.; Polasik, S. J. Acta Materialia, Vol. 56, Issue 13 https://doi.org/10.1016/j.actamat.2008.02.046	journal	August 2008
Plasticity in Confined Dimensions Kraft, Oliver; Gruber, Patric A.; Mönig, Reiner Annual Review of Materials Research, Vol. 40, Issue 1 https://doi.org/10.1146/annurev-matsci-082908-145409	journal	June 2010
Contribution to size effect of yield strength from the stochastics of dislocation source lengths in finite samples Parthasarathy, Triplicane A.; Rao, Satish I.; Dimiduk, Dennis M. Scripta Materialia, Vol. 56, Issue 4 https://doi.org/10.1016/j.scriptamat.2006.09.016	journal	February 2007
Microstructure versus Size: Mechanical Properties of Electroplated Single Crystalline Cu Nanopillars Jennings, Andrew T.; Burek, Michael J.; Greer, Julia R. Physical Review Letters, Vol. 104, Issue 13 https://doi.org/10.1103/PhysRevLett.104.135503	journal	April 2010
Formulation of strain gradient plasticity with interface energy in a consistent thermodynamic framework Voyiadjis, George Z.; Deliktas, Babur International Journal of Plasticity, Vol. 25, Issue 10 https://doi.org/10.1016/j.ijplas.2008.12.014	journal	October 2009
Surface-controlled dislocation multiplication in metal micropillars Weinberger, C. R.; Cai, W. Proceedings of the National Academy of Sciences, Vol. 105, Issue 38 https://doi.org/10.1073/pnas.0806118105	journal	September 2008
Lattice-dynamical model for graphite Al-Jishi, R.; Dresselhaus, G. Physical Review B, Vol. 26, Issue 8 https://doi.org/10.1103/PhysRevB.26.4514	journal	October 1982
Predicting the flow stress and dominant yielding mechanisms: analytical models based on discrete dislocation plasticity Hu, Jianqiao; Song, Hengxu; Liu, Zhanli Scientific Reports, Vol. 9, Issue 1 https://doi.org/10.1038/s41598-019-56252-x	journal	December 2019
Crystallographic aspects of geometrically-necessary and statistically-stored dislocation density Arsenlis, A.; Parks, D. M. Acta Materialia, Vol. 47, Issue 5 https://doi.org/10.1016/S1359-6454(99)00020-8	journal	March 1999
Cold welding of ultrathin gold nanowires Lu, Yang; Huang, Jian Yu; Wang, Chao Nature Nanotechnology, Vol. 5, Issue 3 https://doi.org/10.1038/nnano.2010.4	journal	February 2010
Non-uniform plastic deformation of micron scale objects Niordson, Christian F.; Hutchinson, John W. International Journal for Numerical Methods in Engineering, Vol. 56, Issue 7 https://doi.org/10.1002/nme.593	journal	January 2003
Strengthening mechanisms of graphene coated copper under nanoindentation Zhao, Yinbo; Peng, Xianghe; Fu, Tao Computational Materials Science, Vol. 144 https://doi.org/10.1016/j.commatsci.2017.12.009	journal	March 2018
Trapping and escape of dislocations in micro-crystals with external and internal barriers El-Awady, Jaafar A.; Rao, Satish I.; Woodward, Christopher International Journal of Plasticity, Vol. 27, Issue 3 https://doi.org/10.1016/j.ijplas.2010.06.006	journal	March 2011
A physics-based crystal plasticity model for the prediction of the dislocation densities in micropillar compression Jeong, Juyoung; Voyiadjis, George Z. Journal of the Mechanics and Physics of Solids, Vol. 167 https://doi.org/10.1016/j.jmps.2022.105006	journal	October 2022
Stochastic behaviors in plastic deformation of face-centered cubic micropillars governed by surface nucleation and truncated source operation Ryu, Ill; Cai, Wei; Nix, William D. Acta Materialia, Vol. 95 https://doi.org/10.1016/j.actamat.2015.05.032	journal	August 2015
Emergence of strain-rate sensitivity in Cu nanopillars: Transition from dislocation multiplication to dislocation nucleation Jennings, Andrew T.; Li, Ju; Greer, Julia R. Acta Materialia, Vol. 59, Issue 14 https://doi.org/10.1016/j.actamat.2011.05.038	journal	August 2011
Orientation effects in nanoindentation of single crystal copper Liu, Y.; Varghese, S.; Ma, J. International Journal of Plasticity, Vol. 24, Issue 11 https://doi.org/10.1016/j.ijplas.2008.02.009	journal	November 2008
Graphene–aluminum nanocomposites Bartolucci, Stephen F.; Paras, Joseph; Rafiee, Mohammad A. Materials Science and Engineering: A, Vol. 528, Issue 27 https://doi.org/10.1016/j.msea.2011.07.043	journal	October 2011
Fundamental Differences in Mechanical Behavior between Two Types of Crystals at the Nanoscale Brinckmann, Steffen; Kim, Ju-Young; Greer, Julia R. Physical Review Letters, Vol. 100, Issue 15 https://doi.org/10.1103/PhysRevLett.100.155502	journal	April 2008
Temperature and Strain-Rate Dependence of Surface Dislocation Nucleation Zhu, Ting; Li, Ju; Samanta, Amit Physical Review Letters, Vol. 100, Issue 2 https://doi.org/10.1103/PhysRevLett.100.025502	journal	January 2008
Finite strain analysis of size effects in wedge indentation into a Face-Centered Cubic (FCC) single crystal Lynggaard, J.; Nielsen, K. L.; Niordson, C. F. European Journal of Mechanics - A/Solids, Vol. 76 https://doi.org/10.1016/j.euromechsol.2019.02.008	journal	July 2019
A homogenized model for size-effects in porous metals Niordson, Christian F.; Tvergaard, Viggo Journal of the Mechanics and Physics of Solids, Vol. 123 https://doi.org/10.1016/j.jmps.2018.09.004	journal	February 2019
A fundamental understanding of how dislocation densities affect strain hardening behavior in copper single crystalline micropillars Xie, Dongyue; Chen, Muh-Jang; Gigax, Jonathan Mechanics of Materials, Vol. 184 https://doi.org/10.1016/j.mechmat.2023.104731	journal	September 2023
Large-Scale Arrays of Single-Layer Graphene Resonators Zande, Arend M. van der; Barton, Robert A.; Alden, Jonathan S. Nano Letters, Vol. 10, Issue 12 https://doi.org/10.1021/nl102713c	journal	December 2010
Repeated growth and bubbling transfer of graphene with millimetre-size single-crystal grains using platinum Gao, Libo; Ren, Wencai; Xu, Huilong Nature Communications, Vol. 3, Issue 1 https://doi.org/10.1038/ncomms1702	journal	January 2012
Incipient plasticity and fully plastic contact behavior of copper coated with a graphene layer Park, Sun-Young; Kim, Young-Cheon; Ruoff, Rodney S. APL Materials, Vol. 7, Issue 3 https://doi.org/10.1063/1.5086333	journal	March 2019
Grain size dependence of polycrystalline plasticity modeling in cylindrical indentation Voyiadjis, George Z.; Jeong, Juyoung; Kysar, Jeffrey W. Computational Mechanics, Vol. 68, Issue 3 https://doi.org/10.1007/s00466-020-01940-z	journal	November 2020
Experimental validation of multiscale modeling of indentation of suspended circular graphene membranes Wei, Xiaoding; Kysar, Jeffrey W. International Journal of Solids and Structures, Vol. 49, Issue 22 https://doi.org/10.1016/j.ijsolstr.2012.06.019	journal	November 2012
Discrete plasticity in sub-10-nm-sized gold crystals Zheng, He; Cao, Ajing; Weinberger, Christopher R. Nature Communications, Vol. 1, Issue 1 https://doi.org/10.1038/ncomms1149	journal	December 2010
Single crystal and polycrystal elasto-viscoplasticity: Application to earing in cup drawing of F.C.C. materials Balasubramanian, S.; Anand, L. Computational Mechanics, Vol. 17, Issue 4 https://doi.org/10.1007/BF00364824	journal	January 1996
Modeling dislocation storage rates and mean free paths in face-centered cubic crystals Kubin, L.; Devincre, B.; Hoc, T. Acta Materialia, Vol. 56, Issue 20 https://doi.org/10.1016/j.actamat.2008.08.012	journal	December 2008
Nonlinear elastic behavior of graphene: Ab initio calculations to continuum description Wei, Xiaoding; Fragneaud, Benjamin; Marianetti, Chris A. Physical Review B, Vol. 80, Issue 20 https://doi.org/10.1103/PhysRevB.80.205407	journal	November 2009
Achieving maximum hardness in semi-coherent multilayer thin films with unequal layer thickness Carpenter, John S.; Misra, Amit; Anderson, Peter M. Acta Materialia, Vol. 60, Issue 6-7 https://doi.org/10.1016/j.actamat.2012.01.029	journal	April 2012
Measurement of thermal properties of a ceramic/metal joint by laser flash method Casalegno, V.; Vavassori, P.; Valle, M. Journal of Nuclear Materials, Vol. 407, Issue 2 https://doi.org/10.1016/j.jnucmat.2010.09.032	journal	December 2010
Single layer graphene controlled surface and bulk indentation plasticity in copper Bahrami, F.; Hammad, M.; Fivel, M. International Journal of Plasticity, Vol. 138 https://doi.org/10.1016/j.ijplas.2021.102936	journal	March 2021
Dislocation escape-related size effects in single-crystal micropillars under uniaxial compression Tang, H.; Schwarz, K.; Espinosa, H. Acta Materialia, Vol. 55, Issue 5 https://doi.org/10.1016/j.actamat.2006.10.021	journal	March 2007
Higher compressive strengths and the Bauschinger effect in conformally passivated copper nanopillars Jennings, A. T.; Gross, C.; Greer, F. Acta Materialia, Vol. 60, Issue 8 https://doi.org/10.1016/j.actamat.2012.03.013	journal	May 2012

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