Incorporating point defect generation due to jog formation into the vector density-based continuum dislocation dynamics approach

Lin, Peng; Vivekanandan, Vignesh; Anglin, Benjamin; Geller, Clint; El-Azab, Anter

doi:10.1016/j.jmps.2021.104609

Incorporating point defect generation due to jog formation into the vector density-based continuum dislocation dynamics approach

Journal Article · Thu Aug 12 00:00:00 EDT 2021 · Journal of the Mechanics and Physics of Solids

DOI:https://doi.org/10.1016/j.jmps.2021.104609· OSTI ID:1977338

Lin, Peng ^[1]; Vivekanandan, Vignesh ^[2]; Anglin, Benjamin ^[3]; Geller, Clint ^[3]; El-Azab, Anter ^[2]

Purdue University, West Lafayette, IN (United States); OSTI
Purdue University, West Lafayette, IN (United States)
Naval Nuclear Laboratory, West Mifflin, PA (United States)

During plastic deformation of crystalline materials, point defects such as vacancies and interstitials are generated by jogs on moving dislocations. A detailed model for jog formation and transport during plastic deformation was developed within the vector density-based continuum dislocation dynamics framework. Here as a part of this model, point defect generation associated with jog transport was formulated in terms of the volume change due to the non-conservative motion of jogs. Balance equations for the vacancies and interstitials including their rate of generation due to jog transport were also formulated. A two-way coupling between point defects and dislocation dynamics was then completed by including the stress contributed by the eigen-strain of point defects. A jog drag stress was further introduced into the mobility law of dislocations to account for the energy dissipation during point defects generation. A number of test problems and a fully coupled simulation of dislocation dynamics and point defects generation and diffusion were performed. The results show that there is an asymmetry of vacancy and interstitial generation due to the different formation energies of the two types of defects. The results also show that a higher hardening rate and a higher dislocation density are obtained when the point defect generation mechanism is coupled to dislocation dynamics.

View Accepted Manuscript (DOE)

Research Organization:: Purdue University, West Lafayette, IN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE); Naval Nuclear Laboratory

Grant/Contract Number:: SC0017718

OSTI ID:: 1977338

Alternate ID(s):: OSTI ID: 1819977

Journal Information:: Journal of the Mechanics and Physics of Solids, Journal Name: Journal of the Mechanics and Physics of Solids Journal Issue: C Vol. 156; ISSN 0022-5096

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

References (68)

The Simultaneous Clustering of Point Defects during Irradiation Ghoniem, N. M.; Cho, D. D. Physica Status Solidi (a), Vol. 54, Issue 1 https://doi.org/10.1002/pssa.2210540122	journal	July 1979
On the Type of Jogs on Intersecting Screw Dislocations Zsoldos, L. physica status solidi (b), Vol. 3, Issue 11 https://doi.org/10.1002/pssb.19630031117	journal	January 1963
Elastic continuum theories of lattice defects: a review Sahoo, Debendranath Bulletin of Materials Science, Vol. 6, Issue 4 https://doi.org/10.1007/BF02744004	journal	September 1984
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
On the type of point defects formed after crossing of dislocations Hornstra, J. Acta Metallurgica, Vol. 10, Issue 10 https://doi.org/10.1016/0001-6160(62)90160-8	journal	October 1962
Latent hardening in copper and aluminium single crystals Franciosi, P.; Berveiller, M.; Zaoui, A. Acta Metallurgica, Vol. 28, Issue 3 https://doi.org/10.1016/0001-6160(80)90162-5	journal	March 1980
Ductile fracture by vacancy condensation in f.c.c. single crystals Cuitiño, A. M.; Ortiz, M. Acta Materialia, Vol. 44, Issue 2 https://doi.org/10.1016/1359-6454(95)00220-0	journal	February 1996
Spatial correlations and higher-order gradient terms in a continuum description of dislocation dynamics Groma, I.; Csikor, F. F.; Zaiser, M. Acta Materialia, Vol. 51, Issue 5 https://doi.org/10.1016/S1359-6454(02)00517-7	journal	March 2003
Investigation of vacancy formation by a jogged dissociated dislocation with large-scale molecular dynamics and dislocation energetics Zhou, S. J.; Preston, D. L.; Louchet, F. Acta Materialia, Vol. 47, Issue 9 https://doi.org/10.1016/S1359-6454(99)00127-5	journal	July 1999
Core effects in dislocation intersection Justo, J. F.; Bulatov, V. V.; Yip, S. Scripta Materialia, Vol. 36, Issue 6 https://doi.org/10.1016/S1359-6462(96)00445-9	journal	March 1997
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
Failure of metals I: Brittle and ductile fracture Pineau, A.; Benzerga, A. A.; Pardoen, T. Acta Materialia, Vol. 107 https://doi.org/10.1016/j.actamat.2015.12.034	journal	April 2016
The influence of vacancies diffusion-induced dislocation climb on the creep and plasticity behaviors of nickel-based single crystal superalloy Yang, Hui; Huang, Minsheng; Li, Zhenhuan Computational Materials Science, Vol. 99 https://doi.org/10.1016/j.commatsci.2014.12.035	journal	March 2015
On the formation of vacancies by edge dislocation dipole annihilation in fatigued copper Brinckmann, Steffen; Sivanesapillai, Rakulan; Hartmaier, Alexander International Journal of Fatigue, Vol. 33, Issue 10 https://doi.org/10.1016/j.ijfatigue.2011.05.004	journal	October 2011
Investigations of pipe-diffusion-based dislocation climb by discrete dislocation dynamics Gao, Y.; Zhuang, Z.; Liu, Z. L. International Journal of Plasticity, Vol. 27, Issue 7 https://doi.org/10.1016/j.ijplas.2010.11.003	journal	July 2011
A new dislocation-density-function dynamics scheme for computational crystal plasticity by explicit consideration of dislocation elastic interactions Leung, H. S.; Leung, P. S. S.; Cheng, B. International Journal of Plasticity, Vol. 67 https://doi.org/10.1016/j.ijplas.2014.09.009	journal	April 2015
The interaction of dislocations and hydrogen-vacancy complexes and its importance for deformation-induced proto nano-voids formation in α-Fe Li, Suzhi; Li, Yonggang; Lo, Yu-Chieh International Journal of Plasticity, Vol. 74 https://doi.org/10.1016/j.ijplas.2015.05.017	journal	November 2015
A coupled dislocation dynamics-continuum barrier field model with application to irradiated materials Cui, Yinan; Po, Giacomo; Ghoniem, Nasr M. International Journal of Plasticity, Vol. 104 https://doi.org/10.1016/j.ijplas.2018.01.015	journal	May 2018
On the computational solution of vector-density based continuum dislocation dynamics models: A comparison of two plastic distortion and stress update algorithms Lin, Peng; Vivekanandan, Vignesh; Starkey, Kyle International Journal of Plasticity, Vol. 138 https://doi.org/10.1016/j.ijplas.2021.102943	journal	March 2021
Vacancy diffusion coupled discrete dislocation dynamic modeling of compression creep of micro-pillars at elevated temperature Wang, Jian; Huang, Minsheng; Zhu, Yaxin International Journal of Solids and Structures, Vol. 193-194 https://doi.org/10.1016/j.ijsolstr.2020.02.024	journal	June 2020
On the evolution of crystallographic dislocation density in non-homogeneously deforming crystals Arsenlis, A. Journal of the Mechanics and Physics of Solids, Vol. 52, Issue 6 https://doi.org/10.1016/j.jmps.2003.12.007	journal	June 2004
Size effects and idealized dislocation microstructure at small scales: Predictions of a Phenomenological model of Mesoscopic Field Dislocation Mechanics: Part I Acharya, A.; Roy, A. Journal of the Mechanics and Physics of Solids, Vol. 54, Issue 8 https://doi.org/10.1016/j.jmps.2006.01.009	journal	August 2006
Size effects and idealized dislocation microstructure at small scales: Predictions of a Phenomenological model of Mesoscopic Field Dislocation Mechanics: Part II Roy, A.; Acharya, A. Journal of the Mechanics and Physics of Solids, Vol. 54, Issue 8 https://doi.org/10.1016/j.jmps.2006.01.012	journal	August 2006
A variational formulation of constrained dislocation dynamics coupled with heat and vacancy diffusion Po, Giacomo; Ghoniem, Nasr Journal of the Mechanics and Physics of Solids, Vol. 66 https://doi.org/10.1016/j.jmps.2014.01.012	journal	May 2014
Modeling a distribution of point defects as misfitting inclusions in stressed solids Cai, W.; Sills, R. B.; Barnett, D. M. Journal of the Mechanics and Physics of Solids, Vol. 66 https://doi.org/10.1016/j.jmps.2014.01.015	journal	May 2014
Thermodynamically consistent continuum dislocation dynamics Hochrainer, Thomas Journal of the Mechanics and Physics of Solids, Vol. 88 https://doi.org/10.1016/j.jmps.2015.12.015	journal	March 2016
Dislocation climb models from atomistic scheme to dislocation dynamics Niu, Xiaohua; Luo, Tao; Lu, Jianfeng Journal of the Mechanics and Physics of Solids, Vol. 99 https://doi.org/10.1016/j.jmps.2016.11.012	journal	February 2017
3D discrete dislocation dynamics study of creep behavior in Ni-base single crystal superalloys by a combined dislocation climb and vacancy diffusion model Gao, Siwen; Fivel, Marc; Ma, Anxin Journal of the Mechanics and Physics of Solids, Vol. 102 https://doi.org/10.1016/j.jmps.2017.02.010	journal	May 2017
Is crystal plasticity non-conservative? Lessons from large deformation continuum dislocation theory Hochrainer, Thomas; Weger, Benedikt Journal of the Mechanics and Physics of Solids, Vol. 141 https://doi.org/10.1016/j.jmps.2020.103957	journal	August 2020
Vacancy cluster evolution and swelling in irradiated 316 stainless steel Surh, Michael P.; Sturgeon, J. B.; Wolfer, W. G. Journal of Nuclear Materials, Vol. 328, Issue 2-3 https://doi.org/10.1016/j.jnucmat.2004.03.005	journal	July 2004
Dislocations, vacancies and solute diffusion in physical based plasticity model for AISI 316L Lindgren, Lars-Erik; Domkin, Konstantin; Hansson, Sofia Mechanics of Materials, Vol. 40, Issue 11 https://doi.org/10.1016/j.mechmat.2008.05.005	journal	November 2008
A dislocation climb/glide coupled crystal plasticity constitutive model and its finite element implementation Yuan, Shulin; Huang, Minsheng; Zhu, Yaxin Mechanics of Materials, Vol. 118 https://doi.org/10.1016/j.mechmat.2017.12.009	journal	March 2018
Toward a physical model for strain hardening in fcc crystals Kubin, Ladislas; Devincre, Benoit; Hoc, Thierry Materials Science and Engineering: A, Vol. 483-484 https://doi.org/10.1016/j.msea.2007.01.167	journal	June 2008
Physical analyses of crystal plasticity by DD simulations Devincre, B.; Kubin, L.; Hoc, T. Scripta Materialia, Vol. 54, Issue 5 https://doi.org/10.1016/j.scriptamat.2005.10.066	journal	March 2006
Hydrogenated vacancies lock dislocations in aluminium Xie, Degang; Li, Suzhi; Li, Meng Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms13341	journal	November 2016
Generation of Vacancies in MgO by Deformation Klein, Mark J.; Gager, W. B. Journal of Applied Physics, Vol. 37, Issue 11 https://doi.org/10.1063/1.1707984	journal	October 1966
Dynamical Theory of Dislocations Kosevich, A. M. Soviet Physics Uspekhi, Vol. 7, Issue 6 https://doi.org/10.1070/PU1965v007n06ABEH003688	journal	June 1965
On the generation of vacancies by moving dislocations Seitz, Frederick Advances in Physics, Vol. 1, Issue 1 https://doi.org/10.1080/00018735200101161	journal	January 1952
Numerical study of the athermal annihilation of edge-dislocation dipoles Aslanides, A.; Pontikis, V. Philosophical Magazine A, Vol. 80, Issue 10 https://doi.org/10.1080/01418610008216476	journal	October 2000
On the consideration of climb in discrete dislocation dynamics Raabe, D. Philosophical Magazine A, Vol. 77, Issue 3 https://doi.org/10.1080/01418619808224081	journal	March 1998
A three-dimensional continuum theory of dislocation systems: kinematics and mean-field formulation Hochrainer, T.; Zaiser, M.; Gumbsch, P. Philosophical Magazine, Vol. 87, Issue 8-9 https://doi.org/10.1080/14786430600930218	journal	March 2007
Temporal statistics and coarse graining of dislocation ensembles Deng, Jie; El-Azab, Anter Philosophical Magazine, Vol. 90, Issue 27-28 https://doi.org/10.1080/14786435.2010.497472	journal	September 2010
Crystal plasticity-based constitutive modelling of irradiated bcc structures Patra, Anirban; McDowell, David L. Philosophical Magazine, Vol. 92, Issue 7 https://doi.org/10.1080/14786435.2011.634855	journal	March 2012
Multipole expansion of continuum dislocations dynamics in terms of alignment tensors Hochrainer, T. Philosophical Magazine, Vol. 95, Issue 12 https://doi.org/10.1080/14786435.2015.1026297	journal	March 2013
Generation and accumulation of atomic vacancies due to dislocation movement and pair annihilation Ohashi, Tetsuya Philosophical Magazine, Vol. 98, Issue 25 https://doi.org/10.1080/14786435.2018.1478142	journal	June 2018
Continuous distribution of moving dislocations Mura, T. Philosophical Magazine, Vol. 8, Issue 89 https://doi.org/10.1080/14786436308213841	journal	May 1963
CXXXII. The generation of lattice defects by moving dislocations, and its application to the temperature dependence of the flow-stress of F.C.C. crystals Seeger, Alfred The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science, Vol. 46, Issue 382 https://doi.org/10.1080/14786441108520632	journal	November 1955
Dislocation transport using an explicit Galerkin/least-squares formulation Varadhan, S. N.; Beaudoin, A. J.; Acharya, A. Modelling and Simulation in Materials Science and Engineering, Vol. 14, Issue 7 https://doi.org/10.1088/0965-0393/14/7/011	journal	September 2006
Computational modelling of mesoscale dislocation patterning and plastic deformation of single crystals Xia, Shengxu; El-Azab, Anter Modelling and Simulation in Materials Science and Engineering, Vol. 23, Issue 5 https://doi.org/10.1088/0965-0393/23/5/055009	journal	May 2015
Pattern formation in a minimal model of continuum dislocation plasticity Sandfeld, Stefan; Zaiser, Michael Modelling and Simulation in Materials Science and Engineering, Vol. 23, Issue 6 https://doi.org/10.1088/0965-0393/23/6/065005	journal	July 2015
The discrete-continuum connection in dislocation dynamics: I. Time coarse graining of cross slip Xia, Shengxu; Belak, James; El-Azab, Anter Modelling and Simulation in Materials Science and Engineering, Vol. 24, Issue 7 https://doi.org/10.1088/0965-0393/24/7/075007	journal	September 2016
The boundary value problem of dislocation dynamics El-Azab, A. Modelling and Simulation in Materials Science and Engineering, Vol. 8, Issue 1 https://doi.org/10.1088/0965-0393/8/1/304	journal	January 2000
Implementation of annihilation and junction reactions in vector density-based continuum dislocation dynamics Lin, Peng; El-Azab, Anter Modelling and Simulation in Materials Science and Engineering, Vol. 28, Issue 4 https://doi.org/10.1088/1361-651X/ab7d90	journal	March 2020
Collective behaviour of dislocations in a finite medium Kooiman, M.; Hütter, M.; Geers, M. G. D. Journal of Statistical Mechanics: Theory and Experiment, Vol. 2014, Issue 4 https://doi.org/10.1088/1742-5468/2014/04/P04028	journal	April 2014
The Generation of Vacancies by Dislocations Seitz, Frederick Physical Review, Vol. 79, Issue 6 https://doi.org/10.1103/PhysRev.79.1002.2	journal	September 1950
The Forces Exerted on Dislocations and the Stress Fields Produced by Them Peach, M.; Koehler, J. S. Physical Review, Vol. 80, Issue 3 https://doi.org/10.1103/PhysRev.80.436	journal	November 1950
Link between the microscopic and mesoscopic length-scale description of the collective behavior of dislocations Groma, I. Physical Review B, Vol. 56, Issue 10 https://doi.org/10.1103/PhysRevB.56.5807	journal	September 1997
Statistical mechanics treatment of the evolution of dislocation distributions in single crystals El-Azab, A. Physical Review B, Vol. 61, Issue 18 https://doi.org/10.1103/PhysRevB.61.11956	journal	May 2000
Statistical dynamics of dislocation systems: The influence of dislocation-dislocation correlations Zaiser, M.; Miguel, M. -Carmen; Groma, I. Physical Review B, Vol. 64, Issue 22 https://doi.org/10.1103/PhysRevB.64.224102	journal	November 2001
Interplay between hydrogen and vacancies in α -Fe Hayward, Erin; Fu, Chu-Chun Physical Review B, Vol. 87, Issue 17 https://doi.org/10.1103/PhysRevB.87.174103	journal	May 2013
Energetics and nucleation of point defects in aluminum under extreme tensile hydrostatic stresses Iyer, Mrinal; Gavini, Vikram; Pollock, Tresa M. Physical Review B, Vol. 89, Issue 1 https://doi.org/10.1103/PhysRevB.89.014108	journal	January 2014
Role of Macroscopic Deformations in Energetics of Vacancies in Aluminum Gavini, Vikram Physical Review Letters, Vol. 101, Issue 20 https://doi.org/10.1103/PhysRevLett.101.205503	journal	November 2008
Can Vacancies Lubricate Dislocation Motion in Aluminum? Lu, Gang; Kaxiras, Efthimios Physical Review Letters, Vol. 89, Issue 10 https://doi.org/10.1103/PhysRevLett.89.105501	journal	August 2002
The Role of Collinear Interaction in Dislocation-Induced Hardening Madec, R. Science, Vol. 301, Issue 5641 https://doi.org/10.1126/science.1085477	journal	September 2003
Large-Scale Molecular Dynamics Simulations of Dislocation Intersection in Copper Zhou, S. J. Science, Vol. 279, Issue 5356 https://doi.org/10.1126/science.279.5356.1525	journal	March 1998
Annihilation and sources in continuum dislocation dynamics Monavari, Mehran; Zaiser, Michael Materials Theory, Vol. 2, Issue 1 https://doi.org/10.1186/s41313-018-0010-z	journal	March 2018
Continuum modeling of dislocation plasticity: Theory, numerical implementation, and validation by discrete dislocation simulations Sandfeld, Stefan; Hochrainer, Thomas; Zaiser, Michael Journal of Materials Research, Vol. 26, Issue 5 https://doi.org/10.1557/jmr.2010.92	journal	March 2011
On the annihilation of dislocation dipoles in metals Wang, Hao AIMS Materials Science, Vol. 4, Issue 6 https://doi.org/10.3934/matersci.2017.6.1231	journal	January 2017

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36 MATERIALS SCIENCE
continuum dislocation dynamics
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finite element method
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Incorporating point defect generation due to jog formation into the vector density-based continuum dislocation dynamics approach

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