Segregation-affected yielding and stability in nanotwinned silver by microalloying

Ke, Xing; Sansoz, Frederic

doi:10.1103/PhysRevMaterials.1.063604

Title: Segregation-affected yielding and stability in nanotwinned silver by microalloying

Journal Article · Thu Nov 30 00:00:00 EST 2017 · Physical Review Materials

DOI:https://doi.org/10.1103/PhysRevMaterials.1.063604· OSTI ID:1410783

Ke, Xing ^[1];

^[2]

Univ. of Vermont, Burlington, VT (United States). Materials Science Program
Univ. of Vermont, Burlington, VT (United States). Materials Science Program; Univ. of Vermont, Burlington, VT (United States). Dept. of Mechanical Engineering

Small-scale mechanics of solute atom segregation and incipient plasticity in nanotwinned Ag containing trace concentrations of Cu were studied by using large-scale hybrid Monte-Carlo and molecular-dynamic simulations. It is found that solute Cu atoms are segregated concurrently to grain boundaries and intrinsic twin-boundary kink-step defects during thermal annealing. Low Cu dopant contents below 1 at. % are predicted to substantially increase twin stability in nanotwinned Ag, accompanied with a pronounced rise in yield strength at 300 K. Incipient plasticity is associated with kink-step migration, grain-boundary sliding, and dislocation nucleation from grain boundaries and twin-boundary defects, which are affected by doping. Cu-dependent yield strengthening in doped nanotwinned Ag is shown to correlate with the critical stress required to initiate crystal slip emitted from grain boundaries and twin-boundary defects. Finally, these findings provide fundamental insight into the roles of twin-boundary imperfections on plastic yielding, and offer new clues to further extend the extraordinary stability and strength of nanotwinned metals by microalloying.

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Research Organization:: Univ. of Vermont, Burlington, VT (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)

Grant/Contract Number:: SC0016270; DMR-1410646; ACI-1548562

OSTI ID:: 1410783

Alternate ID(s):: OSTI ID: 1410729

Journal Information:: Physical Review Materials, Vol. 1, Issue 6; Related Information: http://link.aps.org/supplemental/10.1103/PhysRevMaterials.1.063604; ISSN 2475-9953

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 13 works

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References (41)

Structure and migration of (112) step on (111) twin boundaries in nanocrystalline copper Xu, Luhua; Xu, Di; Tu, K. N. Journal of Applied Physics, Vol. 104, Issue 11 https://doi.org/10.1063/1.3035944	journal	December 2008
Helium segregation to screw and edge dislocations in α-iron and their yield strength Martínez, Enrique; Schwen, Daniel; Caro, Alfredo Acta Materialia, Vol. 84 https://doi.org/10.1016/j.actamat.2014.10.066	journal	February 2015
Plastic anisotropy and associated deformation mechanisms in nanotwinned metals You, Zesheng; Li, Xiaoyan; Gui, Liangjin Acta Materialia, Vol. 61, Issue 1 https://doi.org/10.1016/j.actamat.2012.09.052	journal	January 2013
Strengthening and plasticity in nanotwinned metals Sansoz, F.; Lu, K.; Zhu, T. MRS Bulletin, Vol. 41, Issue 4 https://doi.org/10.1557/mrs.2016.60	journal	April 2016
Enhancement of strength and stability of nanostructured Ni by small amounts of solutes Zhang, H. W.; Lu, K.; Pippan, R. Scripta Materialia, Vol. 65, Issue 6 https://doi.org/10.1016/j.scriptamat.2011.06.003	journal	September 2011
Reaching theoretical strengths in nanocrystalline Cu by grain boundary doping Vo, N. Q.; Schäfer, J.; Averback, R. S. Scripta Materialia, Vol. 65, Issue 8 https://doi.org/10.1016/j.scriptamat.2011.06.048	journal	October 2011
Epitaxial nanotwinned Cu films with high strength and high conductivity Anderoglu, O.; Misra, A.; Wang, H. Applied Physics Letters, Vol. 93, Issue 8 https://doi.org/10.1063/1.2969409	journal	August 2008
Plasticity of nanocrystalline alloys with chemical order: on the strength and ductility of nanocrystalline Ni–Fe Schäfer, Jonathan; Albe, Karsten Beilstein Journal of Nanotechnology, Vol. 4 https://doi.org/10.3762/bjnano.4.63	journal	January 2013
Interplay between grain boundary segregation and electrical resistivity in dilute nanocrystalline Cu alloys Kim, Gyuseok; Chai, Xuzhao; Yu, Le Scripta Materialia, Vol. 123 https://doi.org/10.1016/j.scriptamat.2016.06.008	journal	October 2016
Cu/Ag EAM potential optimized for heteroepitaxial diffusion from ab initio data Wu, Henry H.; Trinkle, Dallas R. Computational Materials Science, Vol. 47, Issue 2 https://doi.org/10.1016/j.commatsci.2009.09.026	journal	December 2009
Thermal stability of highly nanotwinned copper: The role of grain boundaries and texture Zhao, Yifu; Furnish, Timothy Allen; Kassner, Michael Ernest Journal of Materials Research, Vol. 27, Issue 24 https://doi.org/10.1557/jmr.2012.376	journal	November 2012
Ultrahigh Strength and High Electrical Conductivity in Copper Lu, L. Science, Vol. 304, Issue 5669 https://doi.org/10.1126/science.1092905	journal	April 2004
Grain boundary segregation, chemical ordering and stability of nanocrystalline alloys: Atomistic computer simulations in the Ni–W system Detor, A.; Schuh, C. Acta Materialia, Vol. 55, Issue 12 https://doi.org/10.1016/j.actamat.2007.03.024	journal	July 2007
Revealing the Maximum Strength in Nanotwinned Copper Lu, L.; Chen, X.; Huang, X. Science, Vol. 323, Issue 5914 https://doi.org/10.1126/science.1167641	journal	January 2009
High strength, epitaxial nanotwinned Ag films Bufford, D.; Wang, H.; Zhang, X. Acta Materialia, Vol. 59, Issue 1 https://doi.org/10.1016/j.actamat.2010.09.011	journal	January 2011
Plastic deformation of nanocrystalline Pd–Au alloys: On the interplay of grain boundary solute segregation, fault energies and grain size Schäfer, Jonathan; Stukowski, Alexander; Albe, Karsten Acta Materialia, Vol. 59, Issue 8 https://doi.org/10.1016/j.actamat.2011.01.036	journal	May 2011
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
Defective twin boundaries in nanotwinned metals Wang, Y. Morris; Sansoz, Frederic; LaGrange, Thomas Nature Materials, Vol. 12, Issue 8 https://doi.org/10.1038/nmat3646	journal	May 2013
Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool Stukowski, Alexander Modelling and Simulation in Materials Science and Engineering, Vol. 18, Issue 1 https://doi.org/10.1088/0965-0393/18/1/015012	journal	December 2009
Influence of intrinsic kink-like defects on screw dislocation – coherent twin boundary interactions in copper Fang, Qiongjiali; Sansoz, Frederic Acta Materialia, Vol. 123 https://doi.org/10.1016/j.actamat.2016.10.032	journal	January 2017
Microstructural evolution, mechanical properties and deformation mechanisms of nanocrystalline Cu thin films alloyed with Zr Zhang, P.; Zhang, J. Y.; Li, J. Acta Materialia, Vol. 76 https://doi.org/10.1016/j.actamat.2014.04.041	journal	September 2014
Stress-assisted grain growth in nanocrystalline metals: Grain boundary mediated mechanisms and stabilization through alloying Zhang, Yang; Tucker, Garritt J.; Trelewicz, Jason R. Acta Materialia, Vol. 131 https://doi.org/10.1016/j.actamat.2017.03.060	journal	June 2017
Optimization of strength and ductility in nanotwinned ultra-fine grained Ag: Twin density and grain orientations Ott, R. T.; Geng, J.; Besser, M. F. Acta Materialia, Vol. 96 https://doi.org/10.1016/j.actamat.2015.06.030	journal	September 2015
XSEDE: Accelerating Scientific Discovery Towns, John; Cockerill, Timothy; Dahan, Maytal Computing in Science & Engineering, Vol. 16, Issue 5 https://doi.org/10.1109/MCSE.2014.80	journal	September 2014
Grain boundary doping strengthens nanocrystalline copper alloys Özerinç, Sezer; Tai, Kaiping; Vo, Nhon Q. Scripta Materialia, Vol. 67, Issue 7-8 https://doi.org/10.1016/j.scriptamat.2012.06.031	journal	October 2012
Transition of dislocation nucleation induced by local stress concentration in nanotwinned copper Lu, N.; Du, K.; Lu, L. Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms8648	journal	July 2015
Dislocation nucleation governed softening and maximum strength in nano-twinned metals Li, Xiaoyan; Wei, Yujie; Lu, Lei Nature, Vol. 464, Issue 7290 https://doi.org/10.1038/nature08929	journal	April 2010
Nanocrystalline Al-Mg with extreme strength due to grain boundary doping Pun, Simon C.; Wang, Wenbo; Khalajhedayati, Amirhossein Materials Science and Engineering: A, Vol. 696 https://doi.org/10.1016/j.msea.2017.04.095	journal	June 2017
Morphology and mechanical properties of nanocrystalline Cu/Ag alloy Li, Ao; Szlufarska, Izabela Journal of Materials Science, Vol. 52, Issue 8 https://doi.org/10.1007/s10853-016-0700-3	journal	January 2017
Nanotwinned fcc metals: Strengthening versus softening mechanisms Stukowski, A.; Albe, K.; Farkas, D. Physical Review B, Vol. 82, Issue 22 https://doi.org/10.1103/PhysRevB.82.224103	journal	December 2010
Thermal stability of twins and strengthening mechanisms in differently oriented epitaxial nanotwinned Ag films Bufford, Daniel; Wang, Haiyan; Zhang, Xinghang Journal of Materials Research, Vol. 28, Issue 13 https://doi.org/10.1557/jmr.2013.50	journal	May 2013
Relationship between hardness and dislocation processes in a nanocrystalline metal at the atomic scale Sansoz, Frederic; Stevenson, Kevin D. Physical Review B, Vol. 83, Issue 22 https://doi.org/10.1103/PhysRevB.83.224101	journal	June 2011
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
Synthesis and microstructure of electrodeposited and sputtered nanotwinned face-centered-cubic metals Bufford, Daniel C.; Wang, Y. Morris; Liu, Yue MRS Bulletin, Vol. 41, Issue 4 https://doi.org/10.1557/mrs.2016.62	journal	April 2016
Effect of solute segregation on thermal creep in dilute nanocyrstalline Cu alloys Schäfer, Jonathan; Ashkenazy, Yinon; Albe, Karsten Materials Science and Engineering: A, Vol. 546 https://doi.org/10.1016/j.msea.2012.03.078	journal	June 2012
An atom probe study on Nb solute partitioning and nanocrystalline grain stabilization in mechanically alloyed Cu-Nb Kapoor, Monica; Kaub, Tyler; Darling, Kristopher A. Acta Materialia, Vol. 126 https://doi.org/10.1016/j.actamat.2016.12.057	journal	March 2017
On the mechanical performance and deformation of nanotwinned Ag Furnish, T. A.; Hodge, A. M. APL Materials, Vol. 2, Issue 4 https://doi.org/10.1063/1.4873215	journal	April 2014
Periodic Segregation of Solute Atoms in Fully Coherent Twin Boundaries Nie, J. F.; Zhu, Y. M.; Liu, J. Z. Science, Vol. 340, Issue 6135 https://doi.org/10.1126/science.1229369	journal	May 2013
The effect of nanotwins on the corrosion behavior of copper Zhao, Y.; Cheng, I. C.; Kassner, M. E. Acta Materialia, Vol. 67 https://doi.org/10.1016/j.actamat.2013.12.030	journal	April 2014
Detwinning mechanisms for growth twins in face-centered cubic metals Wang, J.; Li, N.; Anderoglu, O. Acta Materialia, Vol. 58, Issue 6 https://doi.org/10.1016/j.actamat.2009.12.013	journal	April 2010
Nouvelles applications des paramètres continus à la théorie des formes quadratiques. Deuxième mémoire. Recherches sur les parallélloèdres primitifs. Voronoi, Georges Journal für die reine und angewandte Mathematik (Crelles Journal), Vol. 1908, Issue 134 https://doi.org/10.1515/crll.1908.134.198	journal	July 1908

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Title: Segregation-affected yielding and stability in nanotwinned silver by microalloying

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