Grain boundary strain as a determinant of localized sink efficiency

Nathaniel, II, James E.; Suri, Pranav K.; Hopkins, Emily M.; Wen, Jianguo; Baldo, Peter; Kirk, Marquis; Taheri, Mitra L.

doi:10.1016/j.actamat.2022.117624

Title: Grain boundary strain as a determinant of localized sink efficiency

Journal Article · 07 January 2022 · Acta Materialia

DOI: https://doi.org/10.1016/j.actamat.2022.117624 · OSTI ID:1846277

^[1]; Suri, Pranav K. ^[2];

^[3]; Wen, Jianguo ^[4]; Baldo, Peter ^[4]; Kirk, Marquis ^[4];

^[3]

Johns Hopkins Univ., Baltimore, MD (United States); Drexel Univ., Philadelphia, PA (United States)
Drexel Univ., Philadelphia, PA (United States); Micron Technology, Inc., Boise, ID (United States)
Johns Hopkins Univ., Baltimore, MD (United States)
Argonne National Lab. (ANL), Lemont, IL (United States)

The opportunity to achieve radiation tolerance in crystalline materials hinges on understanding the structure and response of grain boundary sinks to irradiation. A common descriptor of grain boundary efficiency as a defect sink is the denuded zone, which is a defect free zone adjacent to the grain boundary dictated by its ability to absorb radiation induced defects. This descriptor is often used at the mesoscale, which requires an averaging of absorption events. In this paper, we resolve the defect sink efficiency as a function of interfacial strain with respect to grain boundary character, and correlate high levels of grain boundary strain to an enhanced absorption efficiency. Here, we also introduce a key relationship between localized strain in proximity with the grain boundary sink and the variation absorption efficiency associated with these regions, revealing the pitfalls of averaging absorption events along a grain boundary, and presenting a path forward toward improved models for denuded zones and localized grain boundary absorption phenomena.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-06CH11357; SC0008274; SC0020314

OSTI ID:: 1846277

Journal Information:: Acta Materialia, Journal Name: Acta Materialia Vol. 226; ISSN 1359-6454

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

References (67)

Non-coherent Cu grain boundaries driven by continuous vacancy loading Yu, W. S.; Demkowicz, M. J. Journal of Materials Science, Vol. 50, Issue 11 https://doi.org/10.1007/s10853-015-8961-9	journal	March 2015
Interplay Between Grain Boundaries and Radiation Damage Barr, Christopher M.; El-Atwani, Osman; Kaoumi, Djamel JOM, Vol. 71, Issue 4 https://doi.org/10.1007/s11837-019-03386-y	journal	March 2019
Surface vacancy pits and vacancy diffusion in aluminum Basu, B. K.; Elbaum, C. Acta Metallurgica, Vol. 13, Issue 11 https://doi.org/10.1016/0001-6160(65)90048-9	journal	November 1965
Grain boundaries as point defect sources or sinks—Diffusional creep Gleiter, H. Acta Metallurgica, Vol. 27, Issue 2 https://doi.org/10.1016/0001-6160(79)90095-6	journal	February 1979
Vacancy loss at grain boundaries in quenched polycrystalline gold Siegel, R. W.; Chang, S. M.; Balluffi, R. W. Acta Metallurgica, Vol. 28, Issue 3 https://doi.org/10.1016/0001-6160(80)90159-5	journal	March 1980
On the meaning of sink capture efficiency and sink strength for point defects Mansur, L. K.; Brailsford, A. D.; Wolfer, W. G. Journal of Nuclear Materials, Vol. 105, Issue 1 https://doi.org/10.1016/0022-3115(82)90449-4	journal	January 1982
Determination of vacancy mechanism for grain boundary self-diffusion by computer simulation Balluffi, R. W.; Kwok, Thomas; Bristowe, P. D. Scripta Metallurgica, Vol. 15, Issue 8 https://doi.org/10.1016/0036-9748(81)90285-4	journal	August 1981
Quantitative measurement of displacement and strain fields from HREM micrographs Hÿtch, M. J.; Snoeck, E.; Kilaas, R. Ultramicroscopy, Vol. 74, Issue 3, p. 131-146 https://doi.org/10.1016/S0304-3991(98)00035-7	journal	August 1998
Steps, dislocations and disconnections as interface defects relating to structure and phase transformations Hirth, J. P.; Pond, R. C. Acta Materialia, Vol. 44, Issue 12 https://doi.org/10.1016/S1359-6454(96)00132-2	journal	December 1996
Disconnections in tilt walls Hirth, J. P.; Pond, R. C.; Lothe, J. Acta Materialia, Vol. 54, Issue 16 https://doi.org/10.1016/j.actamat.2006.05.017	journal	September 2006
Structure and free volume of 〈110〉 symmetric tilt grain boundaries with the E structural unit Tschopp, M. A.; Tucker, G. J.; McDowell, D. L. Acta Materialia, Vol. 55, Issue 11 https://doi.org/10.1016/j.actamat.2007.03.012	journal	June 2007
Strain mapping along Al–Pb interfaces Rösner, Harald; Koch, Christoph T.; Wilde, Gerhard Acta Materialia, Vol. 58, Issue 1 https://doi.org/10.1016/j.actamat.2009.08.065	journal	January 2010
Strain mapping in a deformation-twinned nanocrystalline Pd grain Rösner, H.; Boucharat, N.; Padmanabhan, K. A. Acta Materialia, Vol. 58, Issue 7 https://doi.org/10.1016/j.actamat.2009.12.047	journal	April 2010
Effect of grain boundary character on sink efficiency Han, W. Z.; Demkowicz, M. J.; Fu, E. G. Acta Materialia, Vol. 60, Issue 18 https://doi.org/10.1016/j.actamat.2012.08.009	journal	October 2012
Anisotropic radiation-induced segregation in 316L austenitic stainless steel with grain boundary character Barr, Christopher M.; Vetterick, Gregory A.; Unocic, Kinga A. Acta Materialia, Vol. 67 https://doi.org/10.1016/j.actamat.2013.11.060	journal	April 2014
Quantitative comparison of sink efficiency of Cu–Nb, Cu–V and Cu–Ni interfaces for point defects Mao, Shimin; Shu, Shipeng; Zhou, Jian Acta Materialia, Vol. 82 https://doi.org/10.1016/j.actamat.2014.09.011	journal	January 2015
Defect sink characteristics of specific grain boundary types in 304 stainless steels under high dose neutron environments Field, Kevin G.; Yang, Ying; Allen, Todd R. Acta Materialia, Vol. 89 https://doi.org/10.1016/j.actamat.2015.01.064	journal	May 2015
Atomistic simulations of tension–compression asymmetry in dislocation nucleation for copper grain boundaries Tschopp, M. A.; Tucker, G. J.; McDowell, D. L. Computational Materials Science, Vol. 44, Issue 2 https://doi.org/10.1016/j.commatsci.2008.03.041	journal	December 2008
Point defect sink strength of low-angle tilt grain boundaries: A phase field dislocation climb model Liu, Pengchuang; Zheng, Songlin; Chen, Kaiguo International Journal of Plasticity, Vol. 119 https://doi.org/10.1016/j.ijplas.2019.03.008	journal	August 2019
SIA activity during irradiation of nanocrystalline Ni Samaras, M.; Derlet, P. M.; Van Swygenhoven, H. Journal of Nuclear Materials, Vol. 323, Issue 2-3 https://doi.org/10.1016/j.jnucmat.2003.08.020	journal	December 2003
Impact of interfaces on the radiation response and underlying defect recovery mechanisms in nanostructured Cu-Fe-Ag Wurmshuber, Michael; Frazer, David; Bachmaier, Andrea Materials & Design, Vol. 160 https://doi.org/10.1016/j.matdes.2018.11.007	journal	December 2018
Radiation damage tolerant nanomaterials Beyerlein, I. J.; Caro, A.; Demkowicz, M. J. Materials Today, Vol. 16, Issue 11 https://doi.org/10.1016/j.mattod.2013.10.019	journal	November 2013
Mapping stress and strain in nanostructures by high-resolution transmission electron microscopy Hÿtch, M. J.; Houdellier, F. Microelectronic Engineering, Vol. 84, Issue 3 https://doi.org/10.1016/j.mee.2006.10.062	journal	March 2007
Strain mapping of semiconductor specimens with nm-scale resolution in a transmission electron microscope Cooper, David; Denneulin, Thibaud; Bernier, Nicolas Micron, Vol. 80 https://doi.org/10.1016/j.micron.2015.09.001	journal	January 2016
Grain boundaries in ultrafine grained materials processed by severe plastic deformation and related phenomena Sauvage, X.; Wilde, G.; Divinski, S. V. Materials Science and Engineering: A, Vol. 540 https://doi.org/10.1016/j.msea.2012.01.080	journal	April 2012
Quantitative strain and stress measurements in Ge/Si dual channels grown on a Si0.5Ge0.5 virtual substrate Cherkashin, N.; Hÿtch, M. J.; Snoeck, E. Materials Science and Engineering: B, Vol. 124-125 https://doi.org/10.1016/j.mseb.2005.08.054	journal	December 2005
Swift heavy ion irradiation effects in nanocrystalline gold Chimi, Y.; Iwase, A.; Ishikawa, N. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 245, Issue 1 https://doi.org/10.1016/j.nimb.2005.11.096	journal	April 2006
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
Radiation damage in nanostructured materials Zhang, Xinghang; Hattar, Khalid; Chen, Youxing Progress in Materials Science, Vol. 96 https://doi.org/10.1016/j.pmatsci.2018.03.002	journal	July 2018
Grain-boundary kinetics: A unified approach Han, Jian; Thomas, Spencer L.; Srolovitz, David J. Progress in Materials Science, Vol. 98 https://doi.org/10.1016/j.pmatsci.2018.05.004	journal	October 2018
Associating GB characteristics with its sink efficiency in absorbing Frank loops in Cu Chen, J.; Dang, K.; Vo, H. T. Scripta Materialia, Vol. 192 https://doi.org/10.1016/j.scriptamat.2020.10.006	journal	February 2021
Toward high-throughput defect density quantification: A comparison of techniques for irradiated samples Nathaniel, James E.; Lang, Andrew C.; El-Atwani, Osman Ultramicroscopy, Vol. 206 https://doi.org/10.1016/j.ultramic.2019.112820	journal	November 2019
Electron microscopy image enhanced Haider, Maximilian; Uhlemann, Stephan; Schwan, Eugen Nature, Vol. 392, Issue 6678 https://doi.org/10.1038/33823	journal	April 1998
Measurement of the displacement field of dislocations to 0.03 Å by electron microscopy Hÿtch, Martin J.; Putaux, Jean-Luc; Pénisson, Jean-Michel Nature, Vol. 423, Issue 6937 https://doi.org/10.1038/nature01638	journal	May 2003
Structural phase transformations in metallic grain boundaries Frolov, Timofey; Olmsted, David L.; Asta, Mark Nature Communications, Vol. 4, Issue 1 https://doi.org/10.1038/ncomms2919	journal	May 2013
Effects of elastic anisotropy on strain distributions in decahedral gold nanoparticles Johnson, Craig L.; Snoeck, Etienne; Ezcurdia, Manex Nature Materials, Vol. 7, Issue 2 https://doi.org/10.1038/nmat2083	journal	December 2007
Direct Observation of Sink-Dependent Defect Evolution in Nanocrystalline Iron under Irradiation El-Atwani, O.; Nathaniel, J. E.; Leff, A. C. Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/s41598-017-01744-x	journal	May 2017
Achieving Radiation Tolerance through Non-Equilibrium Grain Boundary Structures Vetterick, Gregory A.; Gruber, Jacob; Suri, Pranav K. Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/s41598-017-12407-2	journal	September 2017
On the mechanisms of point-defect absorption by grain and twin boundaries King, A. H.; Smith, D. A. Philosophical Magazine A, Vol. 42, Issue 4 https://doi.org/10.1080/01418618008239372	journal	October 1980
The effect of a grain boundary structural transformation on sliding in <1010>-tilt zinc bicrystals Watanabe, Tadao; Kimura, Shin-Ichiro; Karashima, Seiichi Philosophical Magazine A, Vol. 49, Issue 6 https://doi.org/10.1080/01418618408236566	journal	December 1984
Quantitative criteria for the detection and characterization of nanocrystals from high-resolution electron microscopy images Hÿtch, M. J.; Gandais, M. Philosophical Magazine A, Vol. 72, Issue 3 https://doi.org/10.1080/01418619508243789	journal	September 1995
Extrinsic and intrinsic boundary dislocations: What can and cannot be decided from experimental results? Dupeux, Michel Philosophical Magazine Letters, Vol. 55, Issue 1 https://doi.org/10.1080/09500838708210433	journal	January 1987
Radiation damage near grain boundaries Samaras, M.; Derlet, P. M.; Van Swygenhoven†, H. Philosophical Magazine, Vol. 83, Issue 31-34 https://doi.org/10.1080/14786430310001600222	journal	October 2003
Stress and strain around grain-boundary dislocations measured by high-resolution electron microscopy Hÿtch, M. J.; Putaux, J. -L.; Thibault, J. Philosophical Magazine, Vol. 86, Issue 29-31 https://doi.org/10.1080/14786430600743876	journal	October 2006
HRTEM study of defects in twin boundaries of ultra-fine grained copper Sennour, M.; Lartigue-Korinek, S.; Champion, Y. Philosophical Magazine, Vol. 87, Issue 10 https://doi.org/10.1080/14786430601021611	journal	February 2007
Structures and energies of Σ 3 asymmetric tilt grain boundaries in copper and aluminium Tschopp, M. A.; McDowell, D. L. Philosophical Magazine, Vol. 87, Issue 22 https://doi.org/10.1080/14786430701255895	journal	August 2007
Calculated grain size-dependent vacancy supersaturation and its effect on void formation Singh, B. N.; Foreman, A. J. E. Philosophical Magazine, Vol. 29, Issue 4 https://doi.org/10.1080/14786437408222075	journal	April 1974
On the absorption of dislocations by grain boundaries Pond, R. C.; Smith, D. A. Philosophical Magazine, Vol. 36, Issue 2 https://doi.org/10.1080/14786437708244939	journal	August 1977
Evidence of a temperature transition for denuded zone formation in nanocrystalline Fe under He irradiation El-Atwani, O.; Nathaniel II, J. E.; Leff, A. C. Materials Research Letters https://doi.org/10.1080/21663831.2016.1243591	journal	October 2016
Strain mapping in nanowires Taraci, J. L.; Hÿtch, M. J.; Clement, T. Nanotechnology, Vol. 16, Issue 10 https://doi.org/10.1088/0957-4484/16/10/062	journal	September 2005
Quantifying grain boundary damage tolerance with atomistic simulations Foley, Daniel; Tucker, Garritt J. Modelling and Simulation in Materials Science and Engineering, Vol. 24, Issue 7 https://doi.org/10.1088/0965-0393/24/7/075011	journal	September 2016
Measuring strain on HR-STEM images: application to threading dislocations in Al _0.8 In _0.2 N Rouvière, J. L.; Mouti, A.; Stadelmann, P. Journal of Physics: Conference Series, Vol. 326 https://doi.org/10.1088/1742-6596/326/1/012022	journal	November 2011
The Theory of Sink Strengths Brailsford, A. D.; Bullough, R. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 302, Issue 1465 https://doi.org/10.1098/rsta.1981.0158	journal	July 1981
Diffusion mechanisms in Cu grain boundaries Sørensen, Mads R.; Mishin, Yuri; Voter, Arthur F. Physical Review B, Vol. 62, Issue 6 https://doi.org/10.1103/PhysRevB.62.3658	journal	August 2000
Elimination of irradiation point defects in crystalline solids: Sink strengths Doan, N. V.; Martin, G. Physical Review B, Vol. 67, Issue 13 https://doi.org/10.1103/PhysRevB.67.134107	journal	April 2003
Influence of interface sink strength on the reduction of radiation-induced defect concentrations and fluxes in materials with large interface area per unit volume Demkowicz, M. J.; Hoagland, R. G.; Uberuaga, B. P. Physical Review B, Vol. 84, Issue 10 https://doi.org/10.1103/PhysRevB.84.104102	journal	September 2011
Effect of Interface Phase Transformations on Diffusion and Segregation in High-Angle Grain Boundaries Frolov, T.; Divinski, S. V.; Asta, M. Physical Review Letters, Vol. 110, Issue 25 https://doi.org/10.1103/PhysRevLett.110.255502	journal	June 2013
Evidence for Vacancy Mechanism in Grain Boundary Diffusion in bcc Iron: A Molecular-Dynamics Study Kwok, Thomas; Ho, P. S.; Yip, Sidney Physical Review Letters, Vol. 47, Issue 16 https://doi.org/10.1103/PhysRevLett.47.1148	journal	October 1981
Computer Simulation of Displacement Cascades in Nanocrystalline Ni Samaras, M.; Derlet, P. M.; Van Swygenhoven, H. Physical Review Letters, Vol. 88, Issue 12 https://doi.org/10.1103/PhysRevLett.88.125505	journal	March 2002
Studying Atomic Structures by Aberration-Corrected Transmission Electron Microscopy Urban, K. W. Science, Vol. 321, Issue 5888 https://doi.org/10.1126/science.1152800	journal	July 2008
Efficient Annealing of Radiation Damage Near Grain Boundaries via Interstitial Emission Bai, X. M.; Voter, A. F.; Hoagland, R. G. Science, Vol. 327, Issue 5973 https://doi.org/10.1126/science.1183723	journal	March 2010
Controlling Radiation Damage Ackland, G. Science, Vol. 327, Issue 5973 https://doi.org/10.1126/science.1188088	journal	March 2010
Irradiation damage of single crystal, coarse-grained, and nanograined copper under helium bombardment at 450 °C Han, Weizhong; Fu, E. G.; Demkowicz, Michael J. Journal of Materials Research, Vol. 28, Issue 20 https://doi.org/10.1557/jmr.2013.283	journal	October 2013
Grain boundary character dependence of radiation-induced segregation in a model Ni–Cr alloy Barr, Christopher M.; Barnard, Leland; Nathaniel, James E. Journal of Materials Research, Vol. 30, Issue 9 https://doi.org/10.1557/jmr.2015.34	journal	March 2015
Role of equilibrium and non-equilibrium grain boundary stress fields on dislocation transmission Bamney, Darshan; Capolungo, Laurent; Spearot, Douglas E. Journal of Materials Research, Vol. 36, Issue 13 https://doi.org/10.1557/s43578-021-00129-1	journal	March 2021
Effect of Nickel Concentration on Radiation-Induced Diffusion of Point Defects in High-Nickel Fe–Cr–Ni Model Alloys during Neutron and Electron Irradiation Sekio, Yoshihiro; Sakaguchi, Norihito MATERIALS TRANSACTIONS, Vol. 60, Issue 5 https://doi.org/10.2320/matertrans.MC201811	journal	January 2019
Grain-boundary source/sink behavior for point defects: An atomistic simulation study Millett, Paul C.; Aidhy, Dilpuneet S.; Desai, Tapan International Journal of Materials Research, Vol. 100, Issue 4 https://doi.org/10.3139/146.110072	journal	April 2009

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Title: Grain boundary strain as a determinant of localized sink efficiency

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