Segregation-Induced Nanofaceting Transition at an Asymmetric Tilt Grain Boundary in Copper

Peter, Nicolas J.; Frolov, Timofey; Duarte, Maria J.; Hadian, Raheleh; Ophus, Colin; Kirchlechner, Christoph; Liebscher, Christian H.; Dehm, Gerhard

doi:10.1103/PhysRevLett.121.255502

Title: Segregation-Induced Nanofaceting Transition at an Asymmetric Tilt Grain Boundary in Copper

Journal Article · Thu Dec 20 00:00:00 EST 2018 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.121.255502· OSTI ID:1488631

Peter, Nicolas J.; Frolov, Timofey; Duarte, Maria J.; Hadian, Raheleh; Ophus, Colin; Kirchlechner, Christoph; Liebscher, Christian H.; Dehm, Gerhard

We show that chemistry can be used to trigger a nanofaceting transition. In particular, the segregation of Ag to an asymmetric tilt grain boundary in Cu is investigated. Aberration-corrected electron microscopy reveals that annealing the bicrystal results in the formation of nanometer-sized facets composed of preferentially Ag-segregated symmetric Σ5{210} segments and Ag-depleted {230}/{100} asymmetric segments. Our observations oppose an anticipated trend to form coarse facets. Atomistic simulations confirm the nanofacet formation observed in the experiment and demonstrate a concurrent grain boundary phase transition induced by the anisotropic segregation of Ag.

View Journal Article

Cite

Export

Save

Research Organization:: Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC02-05CH11231; AC52-07NA27344; 17-LW-012

OSTI ID:: 1488631

Alternate ID(s):: OSTI ID: 1524296

Report Number(s):: LLNL-JRNL-751237; PRLTAO; 255502

Journal Information:: Physical Review Letters, Journal Name: Physical Review Letters Vol. 121 Journal Issue: 25; ISSN 0031-9007

Publisher:: American Physical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 32 works

Citation information provided by
Web of Science

References (44)

Segregation-induced phase transformations in grain boundaries Frolov, T.; Asta, M.; Mishin, Y. Physical Review B, Vol. 92, Issue 2 https://doi.org/10.1103/PhysRevB.92.020103	journal	July 2015
The Temperature Dependence of Abnormal Grain Growth and Grain Boundary Faceting in 316L Stainless Steel. Choi, Jeong Sik; Yoon, Duk Yong ISIJ International, Vol. 41, Issue 5 https://doi.org/10.2355/isijinternational.41.478	journal	January 2001
The effect of Ag, Pb and Bi impurities on grain boundary sliding and intergranular decohesion in Copper Schusteritsch, Georg; Kühne, Thomas D.; Guo, Zheng Xiao Philosophical Magazine, Vol. 96, Issue 27 https://doi.org/10.1080/14786435.2016.1217360	journal	August 2016
Diffusion and segregation of silver in copper $Σ$ 5(310) grain boundary Divinski, Sergiy V.; Edelhoff, Henning; Prokofjev, Sergei Physical Review B, Vol. 85, Issue 14 https://doi.org/10.1103/PhysRevB.85.144104	journal	April 2012
Observation of a reversible grain boundary faceting transition induced by changes of composition Ference, T. G.; Balluffi, R. W. Scripta Metallurgica, Vol. 22, Issue 12 https://doi.org/10.1016/S0036-9748(88)80240-0	journal	January 1988
Diffuse interface model for structural transitions of grain boundaries Tang, Ming; Carter, W. Craig; Cannon, Rowland M. Physical Review B, Vol. 73, Issue 2 https://doi.org/10.1103/PhysRevB.73.024102	journal	January 2006
An embedded-atom potential for the Cu–Ag system Williams, P. L.; Mishin, Y.; Hamilton, J. C. Modelling and Simulation in Materials Science and Engineering, Vol. 14, Issue 5 https://doi.org/10.1088/0965-0393/14/5/002	journal	May 2006
First-Order Interfacial Transformations with a Critical Point: Breaking the Symmetry at a Symmetric Tilt Grain Boundary Yang, Shengfeng; Zhou, Naixie; Zheng, Hui Physical Review Letters, Vol. 120, Issue 8 https://doi.org/10.1103/PhysRevLett.120.085702	journal	February 2018
The Role of a Bilayer Interfacial Phase on Liquid Metal Embrittlement Luo, J.; Cheng, H.; Asl, K. M. Science, Vol. 333, Issue 6050 https://doi.org/10.1126/science.1208774	journal	September 2011
Faceting transformation and energy of a Σ3 grain boundary in silver Barg, A. I.; Rabkin, E.; Gust, W. Acta Metallurgica et Materialia, Vol. 43, Issue 11 https://doi.org/10.1016/0956-7151(95)00094-C	journal	November 1995
A quantitative atom probe study of the Nb excess at prior austenite grain boundaries in a Nb microalloyed strip-cast steel Felfer, Peter J.; Killmore, Chris R.; Williams, Jim G. Acta Materialia, Vol. 60, Issue 13-14 https://doi.org/10.1016/j.actamat.2012.06.013	journal	August 2012
Aberration-Corrected Z-Contrast Scanning Transmission Electron Microscopy of CdSe Nanocrystals McBride, James R.; Kippeny, Tadd C.; Pennycook, Stephen J. Nano Letters, Vol. 4, Issue 7 https://doi.org/10.1021/nl049406q	journal	July 2004
Dissociation and faceting of asymmetrical tilt grain boundaries: Molecular dynamics simulations of copper Brown, J. A.; Mishin, Y. Physical Review B, Vol. 76, Issue 13 https://doi.org/10.1103/PhysRevB.76.134118	journal	October 2007
On the correlation between grain-boundary segregation, faceting and embrittlement in Bi-doped Cu Sigle, W.; Ciiang, L. -S.; Gusr, W. Philosophical Magazine A, Vol. 82, Issue 8 https://doi.org/10.1080/01418610208240039	journal	May 2002
Fast Parallel Algorithms for Short-Range Molecular Dynamics Plimpton, Steve Journal of Computational Physics, Vol. 117, Issue 1 https://doi.org/10.1006/jcph.1995.1039	journal	March 1995
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
Strategies for fabricating atom probe specimens with a dual beam FIB Miller, M. K.; Russell, K. F.; Thompson, G. B. Ultramicroscopy, Vol. 102, Issue 4 https://doi.org/10.1016/j.ultramic.2004.10.011	journal	March 2005
Solute segregation in Cu: DFT vs. Experiment Razumovskiy, V. I.; Divinski, S. V.; Romaner, L. Acta Materialia, Vol. 147 https://doi.org/10.1016/j.actamat.2018.01.011	journal	April 2018
Bismuth embrittlement of copper is an atomic size effect Schweinfest, Rainer; Paxton, Anthony T.; Finnis, Michael W. Nature, Vol. 432, Issue 7020 https://doi.org/10.1038/nature03198	journal	December 2004
Layering transitions at grain boundaries Rickman, J. M.; Luo, J. Current Opinion in Solid State and Materials Science, Vol. 20, Issue 5 https://doi.org/10.1016/j.cossms.2016.04.003	journal	October 2016
Step Coalescence by Collective Motion at an Incommensurate Grain Boundary Bowers, M. L.; Ophus, C.; Gautam, A. Physical Review Letters, Vol. 116, Issue 10 https://doi.org/10.1103/PhysRevLett.116.106102	journal	March 2016
Migration mechanisms of a faceted grain boundary Hadian, R.; Grabowski, B.; Finnis, M. W. Physical Review Materials, Vol. 2, Issue 4 https://doi.org/10.1103/PhysRevMaterials.2.043601	journal	April 2018
Why Do Grain Boundaries Exhibit Finite Facet Lengths? Hamilton, J. C.; Siegel, Donald J.; Daruka, Istvan Physical Review Letters, Vol. 90, Issue 24 https://doi.org/10.1103/PhysRevLett.90.246102	journal	June 2003
Identification of a bilayer grain boundary complexion in Bi-doped Cu Kundu, Animesh; Asl, Kaveh Meshinchi; Luo, Jian Scripta Materialia, Vol. 68, Issue 2 https://doi.org/10.1016/j.scriptamat.2012.10.012	journal	January 2013
A fast image simulation algorithm for scanning transmission electron microscopy Ophus, Colin Advanced Structural and Chemical Imaging, Vol. 3, Issue 1 https://doi.org/10.1186/s40679-017-0046-1	journal	May 2017
Complex Nanotwin Substructure of an Asymmetric $Σ 9$ Tilt Grain Boundary in a Silicon Polycrystal Stoffers, A.; Ziebarth, B.; Barthel, J. Physical Review Letters, Vol. 115, Issue 23 https://doi.org/10.1103/PhysRevLett.115.235502	journal	December 2015
Absolute atomic-scale measurements of the Gibbsian interfacial excess of solute at internal interfaces Krakauer, Bruce W.; Seidman, David N. Physical Review B, Vol. 48, Issue 9 https://doi.org/10.1103/PhysRevB.48.6724	journal	September 1993
In situ site-specific specimen preparation for atom probe tomography Thompson, K.; Lawrence, D.; Larson, D. J. Ultramicroscopy, Vol. 107, Issue 2-3 https://doi.org/10.1016/j.ultramic.2006.06.008	journal	February 2007
The ag-cu (silver-copper) system Subramanian, P. R.; Perepezko, J. H. Journal of Phase Equilibria, Vol. 14, Issue 1 https://doi.org/10.1007/BF02652162	journal	February 1993
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
Beam-induced atomic migration at Ag-containing nanofacets at an asymmetric Cu grain boundary Peter, Nicolas J.; Liebscher, Christian H.; Kirchlechner, Christoph Journal of Materials Research, Vol. 32, Issue 5 https://doi.org/10.1557/jmr.2016.398	journal	November 2016
A streaming multi-GPU implementation of image simulation algorithms for scanning transmission electron microscopy Pryor, Alan; Ophus, Colin; Miao, Jianwei Advanced Structural and Chemical Imaging, Vol. 3, Issue 1 https://doi.org/10.1186/s40679-017-0048-z	journal	October 2017
Atomistic migration mechanisms of atomically flat, stepped, and kinked grain boundaries Hadian, R.; Grabowski, B.; Race, C. P. Physical Review B, Vol. 94, Issue 16 https://doi.org/10.1103/PhysRevB.94.165413	journal	October 2016
Two-dimensional phase transformation in grain boundaries Hart, Edward W. Scripta Metallurgica, Vol. 2, Issue 3 https://doi.org/10.1016/0036-9748(68)90222-6	journal	March 1968
Asymmetric tilt grain boundary structure and energy in copper and aluminium Tschopp, M. A.; Mcdowell, D. L. Philosophical Magazine, Vol. 87, Issue 25 https://doi.org/10.1080/14786430701455321	journal	September 2007
Thermodynamics of coherent interfaces under mechanical stresses. II. Application to atomistic simulation of grain boundaries Frolov, T.; Mishin, Y. Physical Review B, Vol. 85, Issue 22 https://doi.org/10.1103/PhysRevB.85.224107	journal	June 2012
Scalable parallel Monte Carlo algorithm for atomistic simulations of precipitation in alloys Sadigh, Babak; Erhart, Paul; Stukowski, Alexander Physical Review B, Vol. 85, Issue 18 https://doi.org/10.1103/PhysRevB.85.184203	journal	May 2012
Grain boundary phase transformations in PtAu and relevance to thermal stabilization of bulk nanocrystalline metals O’Brien, C. J.; Barr, C. M.; Price, P. M. Journal of Materials Science, Vol. 53, Issue 4 https://doi.org/10.1007/s10853-017-1706-1	journal	October 2017
Transitions and Phase Equilibria Among Grain Boundary Structures Cahn, J. W. Le Journal de Physique Colloques, Vol. 43, Issue C6 https://doi.org/10.1051/jphyscol:1982619	journal	December 1982
Defect character at grain boundary facet junctions: Analysis of an asymmetric Σ = 5 grain boundary in Fe Medlin, D. L.; Hattar, K.; Zimmerman, J. A. Acta Materialia, Vol. 124 https://doi.org/10.1016/j.actamat.2016.11.017	journal	February 2017
Bismuth-induced embrittlement of copper grain boundaries Duscher, Gerd; Chisholm, Matthew F.; Alber, Uwe Nature Materials, Vol. 3, Issue 9 https://doi.org/10.1038/nmat1191	journal	August 2004
Origin of Solid-State Activated Sintering in Bi2O3-Doped ZnO Luo, Jian; Wang, Haifeng; Chiang, Yet-Ming Journal of the American Ceramic Society, Vol. 82, Issue 4 https://doi.org/10.1111/j.1151-2916.1999.tb01853.x	journal	April 1999
Grain boundary finite length faceting Wu, Z. X.; Zhang, Y. W.; Srolovitz, D. J. Acta Materialia, Vol. 57, Issue 14 https://doi.org/10.1016/j.actamat.2009.05.026	journal	August 2009
Grain boundary complexions Cantwell, Patrick R.; Tang, Ming; Dillon, Shen J. Acta Materialia, Vol. 62 https://doi.org/10.1016/j.actamat.2013.07.037	journal	January 2014

Cited By (2)

Observations of grain-boundary phase transformations in an elemental metal Meiners, Thorsten; Frolov, Timofey; Rudd, Robert E. Nature, Vol. 579, Issue 7799 https://doi.org/10.1038/s41586-020-2082-6	journal	March 2020
Mechanical properties of stabilized nanocrystalline FCC metals Spearot, Douglas E.; Tucker, Garritt J.; Gupta, Ankit Journal of Applied Physics, Vol. 126, Issue 11 https://doi.org/10.1063/1.5114706	journal	September 2019

Figures / Tables (4)

Similar Records

Investigation of the Effects of Hydrogen Atoms Concentration on the Tungsten Sigma 5 (310) Symmetric Tilt Grain Boundary Strength

Journal Article · Wed Jun 15 00:00:00 EDT 2016 · Transactions of the American Nuclear Society · OSTI ID:1488631

Atiku, Kabiru; Yang, Xue

Grain boundary structure and solute segregation in titanium-doped sapphire bicrystals

Thesis/Dissertation · Tue Jan 01 00:00:00 EST 2002 · OSTI ID:1488631

Taylor, Seth Thomas

Effect of transition metal impurities on the strength of grain boundaries in vanadium

Journal Article · Wed Sep 07 00:00:00 EDT 2016 · Journal of Applied Physics · OSTI ID:1488631

Wu, Xuebang; Kong, Xiang-Shan; You, Yu-Wei; +3 more

Related Subjects

36 MATERIALS SCIENCE