Effect of loading path on grain misorientation and geometrically necessary dislocation density in polycrystalline aluminum under reciprocating shear

Fu, Wenkai; Li, Yulan; Hu, Shenyang; Sushko, Peter; Mathaudhu, Suveen

doi:10.1016/j.commatsci.2022.111221

Title: Effect of loading path on grain misorientation and geometrically necessary dislocation density in polycrystalline aluminum under reciprocating shear

Journal Article · Mon Jan 24 00:00:00 EST 2022 · Computational Materials Science

DOI:https://doi.org/10.1016/j.commatsci.2022.111221· OSTI ID:2310938

Fu, Wenkai ^[1]; Li, Yulan ^[1]; Hu, Shenyang ^[1]; Sushko, Peter ^[1]; Mathaudhu, Suveen ^[2]

Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); Colorado School of Mines, Golden, CO (United States)

Solid phase processing (SPP) is a promising alloy fabrication technique to produce fine and homogeneous grain structures for high-performance alloys. However, there is very limited modeling capability to understand and predict the grain refinement during SPP. In this work, the crystal plasticity theory was used to study elastic-plastic deformation in polycrystalline aluminums under large shear deformation. Two approaches, kernel averaged misorientation (KAM) and grain reference orientation deviation (GROD), were used to assess the grain misorientations. The geometrically necessary dislocation (GND) density was computed with the plastic strain rate. The deformation simulations were carried out under two loading conditions to investigate the effect of loading paths on the evolutions of grain misorientation and GND density. The results show that the regions with high misorientation and GND density first appear near grain boundaries. These regions then extend toward interior grains. The loading path affects dislocation system activation and dislocation recovery, hence dislocation evolution and misorientation. In conclusion, both two- and three-dimensional simulations showed that the spatial and temporal evolutions of GROD, KAM, and GND density in are closely correlated, which indicates they all can be used as criteria of grain refinement or recrystallization.

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Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE Laboratory Directed Research and Development (LDRD) Program

Grant/Contract Number:: AC05-76RL01830

OSTI ID:: 2310938

Alternate ID(s):: OSTI ID: 1862578

Report Number(s):: PNNL-SA-163073

Journal Information:: Computational Materials Science, Vol. 205; ISSN 0927-0256

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

References (37)

SciPy 1.0: fundamental algorithms for scientific computing in Python Virtanen, Pauli; Gommers, Ralf; Oliphant, Travis E. Nature Methods https://doi.org/10.1038/s41592-019-0686-2	journal	February 2020
Consistent determination of geometrically necessary dislocation density from simulations and experiments Das, Suchandrima; Hofmann, Felix; Tarleton, Edmund International Journal of Plasticity, Vol. 109 https://doi.org/10.1016/j.ijplas.2018.05.001	journal	October 2018
Extreme shear-deformation-induced modification of defect structures and hierarchical microstructure in an Al–Si alloy Gwalani, Bharat; Olszta, Matthew; Varma, Soumya Communications Materials, Vol. 1, Issue 1 https://doi.org/10.1038/s43246-020-00087-x	journal	November 2020
Effect of grain structure and strain rate on dynamic recrystallization and deformation behavior: A phase field-crystal plasticity model Li, Yulan; Hu, Shenyang; Barker, Erin Computational Materials Science, Vol. 180 https://doi.org/10.1016/j.commatsci.2020.109707	journal	July 2020
Using local GND density to study SCC initiation Saravanan, Naganand; Karamched, Phani S.; Liu, Junliang Ultramicroscopy, Vol. 217 https://doi.org/10.1016/j.ultramic.2020.113054	journal	October 2020
An integrated full-field model of concurrent plastic deformation and microstructure evolution: Application to 3D simulation of dynamic recrystallization in polycrystalline copper Zhao, Pengyang; Song En Low, Thaddeus; Wang, Yunzhi International Journal of Plasticity, Vol. 80 https://doi.org/10.1016/j.ijplas.2015.12.010	journal	May 2016
Data Structures for Statistical Computing in Python McKinney, Wes Proceedings of the Python in Science Conference https://doi.org/10.25080/Majora-92bf1922-00a	conference	January 2010
High ductility aluminum alloy made from powder by friction extrusion Whalen, Scott; Olszta, Matthew; Roach, Christian Materialia, Vol. 6 https://doi.org/10.1016/j.mtla.2019.100260	journal	June 2019
Latent Hardening in Single Crystals II. Analytical Characterization and Predictions Bassani, J. L.; Wu, T. -Y. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 435, Issue 1893 https://doi.org/10.1098/rspa.1991.0128	journal	October 1991
Experimental parameters influencing grain refinement and microstructural evolution during high-pressure torsion Zhilyaev, A. P.; Nurislamova, G. V.; Kim, B. -K Acta Materialia, Vol. 51, Issue 3 https://doi.org/10.1016/S1359-6454(02)00466-4	journal	February 2003
Ultrafine-grained Al-Mg-Zr alloy processed by shear-assisted extrusion with high thermal stability Croteau, Joseph R.; Jung, Jae-Gil; Whalen, Scott A. Scripta Materialia, Vol. 186 https://doi.org/10.1016/j.scriptamat.2020.05.051	journal	September 2020
Microstructural Modification of Cast Aluminum Alloys via Friction Stir Processing Ma, Z. Y.; Sharma, Siddharth R.; Mishra, Rajiv S. Materials Science Forum, Vol. 426-432 https://doi.org/10.4028/www.scientific.net/MSF.426-432.2891	journal	August 2003
Magnesium alloy ZK60 tubing made by Shear Assisted Processing and Extrusion (ShAPE) Whalen, S.; Overman, N.; Joshi, V. Materials Science and Engineering: A, Vol. 755 https://doi.org/10.1016/j.msea.2019.04.013	journal	May 2019
Friction Consolidation of MA956 powder Catalini, David; Kaoumi, Djamel; Reynolds, Anthony P. Journal of Nuclear Materials, Vol. 442, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2012.11.054	journal	November 2013
Multi-phase-field simulations for dynamic recrystallization Takaki, T.; Hisakuni, Y.; Hirouchi, T. Computational Materials Science, Vol. 45, Issue 4 https://doi.org/10.1016/j.commatsci.2008.12.009	journal	June 2009
A spectral method solution to crystal elasto-viscoplasticity at finite strains Eisenlohr, P.; Diehl, M.; Lebensohn, R. A. International Journal of Plasticity, Vol. 46 https://doi.org/10.1016/j.ijplas.2012.09.012	journal	July 2013
An integrated fast Fourier transform-based phase-field and crystal plasticity approach to model recrystallization of three dimensional polycrystals Chen, L.; Chen, J.; Lebensohn, R. A. Computer Methods in Applied Mechanics and Engineering, Vol. 285 https://doi.org/10.1016/j.cma.2014.12.007	journal	March 2015
Friction stir welding and processing Mishra, R. S.; Ma, Z. Y. Materials Science and Engineering: R: Reports, Vol. 50, Issue 1-2 https://doi.org/10.1016/j.mser.2005.07.001	journal	August 2005
Diffraction-based misorientation mapping: A continuum mechanics description Rui, Shao-Shi; Niu, Li-Sha; Shi, Hui-Ji Journal of the Mechanics and Physics of Solids, Vol. 133 https://doi.org/10.1016/j.jmps.2019.103709	journal	December 2019
High-pressure torsion of pure metals: Influence of atomic bond parameters and stacking fault energy on grain size and correlation with hardness Edalati, Kaveh; Horita, Zenji Acta Materialia, Vol. 59, Issue 17 https://doi.org/10.1016/j.actamat.2011.07.046	journal	October 2011
Influence of crystal structure on size dependent deformation behavior and strain heterogeneity in micro-scale deformation Tang, X. F.; Peng, L. F.; Shi, S. Q. International Journal of Plasticity, Vol. 118 https://doi.org/10.1016/j.ijplas.2019.02.004	journal	July 2019
Dispersoid Distribution and Microstructure in Fe-Cr-Al Ferritic Oxide Dispersion-Strengthened Alloy Prepared by Friction Consolidation Catalini, David; Kaoumi, Djamel; Reynolds, Anthony P. Metallurgical and Materials Transactions A, Vol. 46, Issue 10 https://doi.org/10.1007/s11661-015-3059-1	journal	July 2015
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
An efficient and robust approach to determine material parameters of crystal plasticity constitutive laws from macro-scale stress–strain curves Sedighiani, K.; Diehl, M.; Traka, K. International Journal of Plasticity, Vol. 134 https://doi.org/10.1016/j.ijplas.2020.102779	journal	November 2020
A three-scale crystal plasticity model accounting for grain refinement in fcc metals subjected to severe plastic deformations Frydrych, Karol; Kowalczyk-Gajewska, Katarzyna Materials Science and Engineering: A, Vol. 658 https://doi.org/10.1016/j.msea.2016.01.101	journal	March 2016
Array programming with NumPy Harris, Charles R.; Millman, K. Jarrod; van der Walt, Stéfan J. Nature, Vol. 585, Issue 7825 https://doi.org/10.1038/s41586-020-2649-2	journal	September 2020
Continuum dislocation dynamics-based grain fragmentation modeling Kobaissy, A. H.; Ayoub, G.; Toth, L. S. International Journal of Plasticity, Vol. 114 https://doi.org/10.1016/j.ijplas.2018.11.006	journal	March 2019
A three-dimensional cellular automata-crystal plasticity finite element model for predicting the multiscale interaction among heterogeneous deformation, DRX microstructural evolution and mechanical responses in titanium alloys Li, Hongwei; Sun, Xinxin; Yang, He International Journal of Plasticity, Vol. 87 https://doi.org/10.1016/j.ijplas.2016.09.008	journal	December 2016
Large creep formability and strength–ductility synergy enabled by engineering dislocations in aluminum alloys Liu, Chunhui; Yang, Jianshi; Ma, Peipei International Journal of Plasticity, Vol. 134 https://doi.org/10.1016/j.ijplas.2020.102774	journal	November 2020
Phase field modeling of discontinuous dynamic recrystallization in hot deformation of magnesium alloys Cai, Y.; Sun, C. Y.; Li, Y. L. International Journal of Plasticity, Vol. 133 https://doi.org/10.1016/j.ijplas.2020.102773	journal	October 2020
A model of grain fragmentation based on lattice curvature Tóth, László S.; Estrin, Yuri; Lapovok, Rimma Acta Materialia, Vol. 58, Issue 5 https://doi.org/10.1016/j.actamat.2009.11.020	journal	March 2010
Phase transformations, microstructural refinement and defect evolution mechanisms in Al-Si alloys under non-hydrostatic diamond anvil cell compression Liu, Tingkun; Olszta, Matthew; Gwalani, Bharat Materialia, Vol. 15 https://doi.org/10.1016/j.mtla.2021.101049	journal	March 2021
Lattice misorientation evolution and grain refinement in Al-Si alloys under high-strain shear deformation Gwalani, Bharat; Fu, Wenkai; Olszta, Mathew Materialia, Vol. 18 https://doi.org/10.1016/j.mtla.2021.101146	journal	August 2021
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
Multiscale modeling of hot-working with dynamic recrystallization by coupling microstructure evolution and macroscopic mechanical behavior Takaki, Tomohiro; Yoshimoto, Chihiro; Yamanaka, Akinori International Journal of Plasticity, Vol. 52 https://doi.org/10.1016/j.ijplas.2013.09.001	journal	January 2014
Dislocation density distribution around an indent in single-crystalline nickel: Comparing nonlocal crystal plasticity finite-element predictions with experiments Reuber, C.; Eisenlohr, P.; Roters, F. Acta Materialia, Vol. 71 https://doi.org/10.1016/j.actamat.2014.03.012	journal	June 2014
DAMASK – The Düsseldorf Advanced Material Simulation Kit for modeling multi-physics crystal plasticity, thermal, and damage phenomena from the single crystal up to the component scale Roters, F.; Diehl, M.; Shanthraj, P. Computational Materials Science, Vol. 158 https://doi.org/10.1016/j.commatsci.2018.04.030	journal	February 2019

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Title: Effect of loading path on grain misorientation and geometrically necessary dislocation density in polycrystalline aluminum under reciprocating shear

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