Segregation-affected yielding and stability in nanotwinned silver by microalloying
Abstract
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.
- Authors:
-
- 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
- Publication Date:
- Research Org.:
- Univ. of Vermont, Burlington, VT (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)
- OSTI Identifier:
- 1410783
- Alternate Identifier(s):
- OSTI ID: 1410729
- Grant/Contract Number:
- SC0016270; DMR-1410646; ACI-1548562
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review Materials
- Additional Journal Information:
- Journal Volume: 1; Journal Issue: 6; Related Information: http://link.aps.org/supplemental/10.1103/PhysRevMaterials.1.063604; Journal ID: ISSN 2475-9953
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; 77 NANOSCIENCE AND NANOTECHNOLOGY; 42 ENGINEERING; Nanotwinned silver; atom segregation; strength; plasticity; atomistic simulation
Citation Formats
Ke, Xing, and Sansoz, Frederic. Segregation-affected yielding and stability in nanotwinned silver by microalloying. United States: N. p., 2017.
Web. doi:10.1103/PhysRevMaterials.1.063604.
Ke, Xing, & Sansoz, Frederic. Segregation-affected yielding and stability in nanotwinned silver by microalloying. United States. https://doi.org/10.1103/PhysRevMaterials.1.063604
Ke, Xing, and Sansoz, Frederic. Thu .
"Segregation-affected yielding and stability in nanotwinned silver by microalloying". United States. https://doi.org/10.1103/PhysRevMaterials.1.063604. https://www.osti.gov/servlets/purl/1410783.
@article{osti_1410783,
title = {Segregation-affected yielding and stability in nanotwinned silver by microalloying},
author = {Ke, Xing and Sansoz, Frederic},
abstractNote = {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.},
doi = {10.1103/PhysRevMaterials.1.063604},
journal = {Physical Review Materials},
number = 6,
volume = 1,
place = {United States},
year = {Thu Nov 30 00:00:00 EST 2017},
month = {Thu Nov 30 00:00:00 EST 2017}
}
Web of Science
Works referenced in this record:
Structure and migration of (112) step on (111) twin boundaries in nanocrystalline copper
journal, December 2008
- Xu, Luhua; Xu, Di; Tu, K. N.
- Journal of Applied Physics, Vol. 104, Issue 11
Helium segregation to screw and edge dislocations in α-iron and their yield strength
journal, February 2015
- Martínez, Enrique; Schwen, Daniel; Caro, Alfredo
- Acta Materialia, Vol. 84
Plastic anisotropy and associated deformation mechanisms in nanotwinned metals
journal, January 2013
- You, Zesheng; Li, Xiaoyan; Gui, Liangjin
- Acta Materialia, Vol. 61, Issue 1
Strengthening and plasticity in nanotwinned metals
journal, April 2016
- Sansoz, F.; Lu, K.; Zhu, T.
- MRS Bulletin, Vol. 41, Issue 4
Enhancement of strength and stability of nanostructured Ni by small amounts of solutes
journal, September 2011
- Zhang, H. W.; Lu, K.; Pippan, R.
- Scripta Materialia, Vol. 65, Issue 6
Reaching theoretical strengths in nanocrystalline Cu by grain boundary doping
journal, October 2011
- Vo, N. Q.; Schäfer, J.; Averback, R. S.
- Scripta Materialia, Vol. 65, Issue 8
Epitaxial nanotwinned Cu films with high strength and high conductivity
journal, August 2008
- Anderoglu, O.; Misra, A.; Wang, H.
- Applied Physics Letters, Vol. 93, Issue 8
Plasticity of nanocrystalline alloys with chemical order: on the strength and ductility of nanocrystalline Ni–Fe
journal, January 2013
- Schäfer, Jonathan; Albe, Karsten
- Beilstein Journal of Nanotechnology, Vol. 4
Interplay between grain boundary segregation and electrical resistivity in dilute nanocrystalline Cu alloys
journal, October 2016
- Kim, Gyuseok; Chai, Xuzhao; Yu, Le
- Scripta Materialia, Vol. 123
Cu/Ag EAM potential optimized for heteroepitaxial diffusion from ab initio data
journal, December 2009
- Wu, Henry H.; Trinkle, Dallas R.
- Computational Materials Science, Vol. 47, Issue 2
Thermal stability of highly nanotwinned copper: The role of grain boundaries and texture
journal, November 2012
- Zhao, Yifu; Furnish, Timothy Allen; Kassner, Michael Ernest
- Journal of Materials Research, Vol. 27, Issue 24
Ultrahigh Strength and High Electrical Conductivity in Copper
journal, April 2004
- Lu, L.
- Science, Vol. 304, Issue 5669
Grain boundary segregation, chemical ordering and stability of nanocrystalline alloys: Atomistic computer simulations in the Ni–W system
journal, July 2007
- Detor, A.; Schuh, C.
- Acta Materialia, Vol. 55, Issue 12
Revealing the Maximum Strength in Nanotwinned Copper
journal, January 2009
- Lu, L.; Chen, X.; Huang, X.
- Science, Vol. 323, Issue 5914
High strength, epitaxial nanotwinned Ag films
journal, January 2011
- Bufford, D.; Wang, H.; Zhang, X.
- Acta Materialia, Vol. 59, Issue 1
Plastic deformation of nanocrystalline Pd–Au alloys: On the interplay of grain boundary solute segregation, fault energies and grain size
journal, May 2011
- Schäfer, Jonathan; Stukowski, Alexander; Albe, Karsten
- Acta Materialia, Vol. 59, Issue 8
Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995
- Plimpton, Steve
- Journal of Computational Physics, Vol. 117, Issue 1
Defective twin boundaries in nanotwinned metals
journal, May 2013
- Wang, Y. Morris; Sansoz, Frederic; LaGrange, Thomas
- Nature Materials, Vol. 12, Issue 8
Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool
journal, December 2009
- Stukowski, Alexander
- Modelling and Simulation in Materials Science and Engineering, Vol. 18, Issue 1
Influence of intrinsic kink-like defects on screw dislocation – coherent twin boundary interactions in copper
journal, January 2017
- Fang, Qiongjiali; Sansoz, Frederic
- Acta Materialia, Vol. 123
Microstructural evolution, mechanical properties and deformation mechanisms of nanocrystalline Cu thin films alloyed with Zr
journal, September 2014
- Zhang, P.; Zhang, J. Y.; Li, J.
- Acta Materialia, Vol. 76
Stress-assisted grain growth in nanocrystalline metals: Grain boundary mediated mechanisms and stabilization through alloying
journal, June 2017
- Zhang, Yang; Tucker, Garritt J.; Trelewicz, Jason R.
- Acta Materialia, Vol. 131
Optimization of strength and ductility in nanotwinned ultra-fine grained Ag: Twin density and grain orientations
journal, September 2015
- Ott, R. T.; Geng, J.; Besser, M. F.
- Acta Materialia, Vol. 96
XSEDE: Accelerating Scientific Discovery
journal, September 2014
- Towns, John; Cockerill, Timothy; Dahan, Maytal
- Computing in Science & Engineering, Vol. 16, Issue 5
Grain boundary doping strengthens nanocrystalline copper alloys
journal, October 2012
- Özerinç, Sezer; Tai, Kaiping; Vo, Nhon Q.
- Scripta Materialia, Vol. 67, Issue 7-8
Transition of dislocation nucleation induced by local stress concentration in nanotwinned copper
journal, July 2015
- Lu, N.; Du, K.; Lu, L.
- Nature Communications, Vol. 6, Issue 1
Dislocation nucleation governed softening and maximum strength in nano-twinned metals
journal, April 2010
- Li, Xiaoyan; Wei, Yujie; Lu, Lei
- Nature, Vol. 464, Issue 7290
Nanocrystalline Al-Mg with extreme strength due to grain boundary doping
journal, June 2017
- Pun, Simon C.; Wang, Wenbo; Khalajhedayati, Amirhossein
- Materials Science and Engineering: A, Vol. 696
Morphology and mechanical properties of nanocrystalline Cu/Ag alloy
journal, January 2017
- Li, Ao; Szlufarska, Izabela
- Journal of Materials Science, Vol. 52, Issue 8
Nanotwinned fcc metals: Strengthening versus softening mechanisms
journal, December 2010
- Stukowski, A.; Albe, K.; Farkas, D.
- Physical Review B, Vol. 82, Issue 22
Thermal stability of twins and strengthening mechanisms in differently oriented epitaxial nanotwinned Ag films
journal, May 2013
- Bufford, Daniel; Wang, Haiyan; Zhang, Xinghang
- Journal of Materials Research, Vol. 28, Issue 13
Relationship between hardness and dislocation processes in a nanocrystalline metal at the atomic scale
journal, June 2011
- Sansoz, Frederic; Stevenson, Kevin D.
- Physical Review B, Vol. 83, Issue 22
Scalable parallel Monte Carlo algorithm for atomistic simulations of precipitation in alloys
journal, May 2012
- Sadigh, Babak; Erhart, Paul; Stukowski, Alexander
- Physical Review B, Vol. 85, Issue 18
Synthesis and microstructure of electrodeposited and sputtered nanotwinned face-centered-cubic metals
journal, April 2016
- Bufford, Daniel C.; Wang, Y. Morris; Liu, Yue
- MRS Bulletin, Vol. 41, Issue 4
Effect of solute segregation on thermal creep in dilute nanocyrstalline Cu alloys
journal, June 2012
- Schäfer, Jonathan; Ashkenazy, Yinon; Albe, Karsten
- Materials Science and Engineering: A, Vol. 546
An atom probe study on Nb solute partitioning and nanocrystalline grain stabilization in mechanically alloyed Cu-Nb
journal, March 2017
- Kapoor, Monica; Kaub, Tyler; Darling, Kristopher A.
- Acta Materialia, Vol. 126
On the mechanical performance and deformation of nanotwinned Ag
journal, April 2014
- Furnish, T. A.; Hodge, A. M.
- APL Materials, Vol. 2, Issue 4
Periodic Segregation of Solute Atoms in Fully Coherent Twin Boundaries
journal, May 2013
- Nie, J. F.; Zhu, Y. M.; Liu, J. Z.
- Science, Vol. 340, Issue 6135
The effect of nanotwins on the corrosion behavior of copper
journal, April 2014
- Zhao, Y.; Cheng, I. C.; Kassner, M. E.
- Acta Materialia, Vol. 67
Detwinning mechanisms for growth twins in face-centered cubic metals
journal, April 2010
- Wang, J.; Li, N.; Anderoglu, O.
- Acta Materialia, Vol. 58, Issue 6
Nouvelles applications des paramètres continus à la théorie des formes quadratiques. Deuxième mémoire. Recherches sur les parallélloèdres primitifs.
journal, July 1908
- Voronoi, Georges
- Journal für die reine und angewandte Mathematik (Crelles Journal), Vol. 1908, Issue 134
Works referencing / citing this record:
Atomistic modeling of interfacial segregation and structural transitions in ternary alloys
journal, November 2018
- Hu, Yang; Rupert, Timothy J.
- Journal of Materials Science, Vol. 54, Issue 5
Ideal maximum strengths and defect-induced softening in nanocrystalline-nanotwinned metals
journal, September 2019
- Ke, Xing; Ye, Jianchao; Pan, Zhiliang
- Nature Materials, Vol. 18, Issue 11