Effects of Ag and Zr solutes on dislocation emission from Σ11(332)[110] symmetric tilt grain boundaries in Cu: Bigger is not always better

Borovikov, Valery; Mendelev, Mikhail I.; King, Alexander H.

doi:10.1016/j.ijplas.2018.05.009

Title: Effects of Ag and Zr solutes on dislocation emission from Σ11(332)[110] symmetric tilt grain boundaries in Cu: Bigger is not always better

Abstract

Solute additions are commonly used to stabilize nanocrystalline materials against grain growth, and can simultaneously enhance the strength of the material by impeding dislocation emission from the grain boundaries. In this study we demonstrate using molecular dynamics (MD) simulations that the effect of solutes on dislocation nucleation depends on the distribution of solutes at the grain boundary, and can vary dramatically depending on the solute type. Solutes with a smaller positive size mismatch to the host can be more effective in suppressing dislocation emission from grain boundaries than others that have larger mismatch. In particular, although Ag solutes have a smaller misfit with Cu than Zr solutes, the effect of Ag on the dislocation nucleation from grain boundaries in Cu can be larger than the corresponding effect of Zr. Furthermore, these findings are relevant to the search for optimal solute additions, which can strengthen a nanocrytalline material by suppressing the nucleation of dislocation slip from grain boundaries, while stabilizing it against grain growth.

Authors:

Borovikov, Valery ^[1]; Mendelev, Mikhail I. ^[1];

^[2]

Ames Lab., Ames, IA (United States)
Ames Lab. and Iowa State Univ., Ames, IA (United States)

Publication Date:: Wed May 23 00:00:00 EDT 2018

Research Org.:: Ames Lab., Ames, IA (United States)

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

OSTI Identifier:: 1481020

Alternate Identifier(s):: OSTI ID: 1702762

Report Number(s):: IS-J-9792
Journal ID: ISSN 0749-6419; PII: S0749641918300275

Grant/Contract Number:: AC02-07CH11358

Resource Type:: Accepted Manuscript

Journal Name:: International Journal of Plasticity

Additional Journal Information:: Journal Volume: 109; Journal Issue: C; Journal ID: ISSN 0749-6419

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; Solute segregation at grain boundaries; Dislocation nucleation; Yield stress; Monte Carlo simulation; Molecular dynamics simulation

Citation Formats


                    Borovikov, Valery, Mendelev, Mikhail I., and King, Alexander H. Effects of Ag and Zr solutes on dislocation emission from Σ11(332)[110] symmetric tilt grain boundaries in Cu: Bigger is not always better.  United States: N. p., 2018. 
Web.  doi:10.1016/j.ijplas.2018.05.009.

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                    Borovikov, Valery, Mendelev, Mikhail I., & King, Alexander H. Effects of Ag and Zr solutes on dislocation emission from Σ11(332)[110] symmetric tilt grain boundaries in Cu: Bigger is not always better.  United States.  https://doi.org/10.1016/j.ijplas.2018.05.009

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                    Borovikov, Valery, Mendelev, Mikhail I., and King, Alexander H. Wed .  
"Effects of Ag and Zr solutes on dislocation emission from Σ11(332)[110] symmetric tilt grain boundaries in Cu: Bigger is not always better".  United States.  https://doi.org/10.1016/j.ijplas.2018.05.009.  https://www.osti.gov/servlets/purl/1481020.

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@article{osti_1481020,

  title        = {Effects of Ag and Zr solutes on dislocation emission from Σ11(332)[110] symmetric tilt grain boundaries in Cu: Bigger is not always better},

  author       = {Borovikov, Valery and Mendelev, Mikhail I. and King, Alexander H.},

  abstractNote = {Solute additions are commonly used to stabilize nanocrystalline materials against grain growth, and can simultaneously enhance the strength of the material by impeding dislocation emission from the grain boundaries. In this study we demonstrate using molecular dynamics (MD) simulations that the effect of solutes on dislocation nucleation depends on the distribution of solutes at the grain boundary, and can vary dramatically depending on the solute type. Solutes with a smaller positive size mismatch to the host can be more effective in suppressing dislocation emission from grain boundaries than others that have larger mismatch. In particular, although Ag solutes have a smaller misfit with Cu than Zr solutes, the effect of Ag on the dislocation nucleation from grain boundaries in Cu can be larger than the corresponding effect of Zr. Furthermore, these findings are relevant to the search for optimal solute additions, which can strengthen a nanocrytalline material by suppressing the nucleation of dislocation slip from grain boundaries, while stabilizing it against grain growth.},

  doi          = {10.1016/j.ijplas.2018.05.009},

  journal      = {International Journal of Plasticity},

  number       = C,

  volume       = 109,

  place        = {United States},

  year         = {Wed May 23 00:00:00 EDT 2018},

  month        = {Wed May 23 00:00:00 EDT 2018}

}

Copy to clipboard

Journal Article:

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https://doi.org/10.1016/j.ijplas.2018.05.009

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Cited by: 17 works

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Figure 1: The bi-crystal simulation system; the MC swap regions are indicated by dashed lines. The arrows indicate the direction of the applied deformation.

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Works referenced in this record:

Thermodynamic modeling of the undercooled liquid in the Cu–Zr system
journal, February 2006

Abe, Taichi; Shimono, Masato; Ode, Machiko
Acta Materialia, Vol. 54, Issue 4
DOI: 10.1016/j.actamat.2005.10.019

The strongest size
journal, November 2006

Argon, A. S.; Yip, S.
Philosophical Magazine Letters, Vol. 86, Issue 11
DOI: 10.1080/09500830600986091

60 Years of Hall-Petch: Past to Present Nano-Scale Connections
journal, January 2014

Armstrong, Ronald W.
MATERIALS TRANSACTIONS, Vol. 55, Issue 1
DOI: 10.2320/matertrans.MA201302

The stabilization of nanocrystalline copper by zirconium
journal, January 2013

Atwater, Mark A.; Scattergood, Ronald O.; Koch, Carl C.
Materials Science and Engineering: A, Vol. 559
DOI: 10.1016/j.msea.2012.08.092

Effects of stable and unstable stacking fault energy on dislocation nucleation in nano-crystalline metals
journal, November 2016

Borovikov, Valery; Mendelev, Mikhail I.; King, Alexander H.
Modelling and Simulation in Materials Science and Engineering, Vol. 24, Issue 8
DOI: 10.1088/0965-0393/24/8/085017

Effects of solutes on dislocation nucleation from grain boundaries
journal, March 2017

Borovikov, Valery; Mendelev, Mikhail I.; King, Alexander H.
International Journal of Plasticity, Vol. 90
DOI: 10.1016/j.ijplas.2016.12.009

Texture of Nanocrystalline Nickel: Probing the Lower Size Limit of Dislocation Activity
journal, December 2012

Chen, B.; Lutker, K.; Raju, S. V.
Science, Vol. 338, Issue 6113
DOI: 10.1126/science.1228211

Design of Stable Nanocrystalline Alloys
journal, August 2012

Chookajorn, T.; Murdoch, H. A.; Schuh, C. A.
Science, Vol. 337, Issue 6097
DOI: 10.1126/science.1224737

Mitigating grain growth in binary nanocrystalline alloys through solute selection based on thermodynamic stability maps
journal, March 2014

Darling, K. A.; Tschopp, M. A.; VanLeeuwen, B. K.
Computational Materials Science, Vol. 84
DOI: 10.1016/j.commatsci.2013.10.018

Comparison of the intergranular segregation for eight dilute binary metallic systems in the Σ 11′ {332} tilt grain boundary
journal, June 2005

Duparc, O. Hardouin; Larere, A.; Lezzar, B.
Journal of Materials Science, Vol. 40, Issue 12
DOI: 10.1007/s10853-005-2680-6

Interatomic Potentials from First-Principles Calculations: The Force-Matching Method
journal, June 1994

Ercolessi, F.; Adams, J. B.
Europhysics Letters (EPL), Vol. 26, Issue 8
DOI: 10.1209/0295-5075/26/8/005

Coupling between chemical and dynamic heterogeneities in a multicomponent bulk metallic glass
journal, April 2010

Fujita, T.; Guan, P. F.; Sheng, H. W.
Physical Review B, Vol. 81, Issue 14
DOI: 10.1103/PhysRevB.81.140204

Atomic-Scale Heterogeneity of a Multicomponent Bulk Metallic Glass with Excellent Glass Forming Ability
journal, August 2009

Fujita, T.; Konno, K.; Zhang, W.
Physical Review Letters, Vol. 103, Issue 7
DOI: 10.1103/PhysRevLett.103.075502

Grain-size dependent mechanical behavior of nanocrystalline metals
journal, October 2015

Hahn, Eric N.; Meyers, Marc A.
Materials Science and Engineering: A, Vol. 646
DOI: 10.1016/j.msea.2015.07.075

Molecular dynamics study of melting and freezing of small Lennard-Jones clusters
journal, September 1987

Honeycutt, J. Dana.; Andersen, Hans C.
The Journal of Physical Chemistry, Vol. 91, Issue 19, p. 4950-4963
DOI: 10.1021/j100303a014

Manipulating the interfacial structure of nanomaterials to achieve a unique combination of strength and ductility
journal, February 2016

Khalajhedayati, Amirhossein; Pan, Zhiliang; Rupert, Timothy J.
Nature Communications, Vol. 7, Issue 1
DOI: 10.1038/ncomms10802

High-Temperature Stability and Grain Boundary Complexion Formation in a Nanocrystalline Cu-Zr Alloy
journal, September 2015

Khalajhedayati, Amirhossein; Rupert, Timothy J.
JOM, Vol. 67, Issue 12
DOI: 10.1007/s11837-015-1644-9

A deformation mechanism based crystal plasticity model of ultrafine-grained/nanocrystalline FCC polycrystals
journal, November 2016

Khan, Akhtar S.; Liu, Jian
International Journal of Plasticity, Vol. 86
DOI: 10.1016/j.ijplas.2016.08.001

Development of suitable interatomic potentials for simulation of liquid and amorphous Cu–Zr alloys
journal, April 2009

Mendelev, M. I.; Kramer, M. J.; Ott, R. T.
Philosophical Magazine, Vol. 89, Issue 11
DOI: 10.1080/14786430902832773

Improving grain boundary sliding resistance with segregated dopants
journal, September 2006

Millett, Paul C.; Selvam, R. Panneer; Saxena, Ashok
Materials Science and Engineering: A, Vol. 431, Issue 1-2
DOI: 10.1016/j.msea.2006.05.074

Slip at Grain Boundaries and Grain Growth in Metals
journal, April 1948

Mott, N. F.
Proceedings of the Physical Society, Vol. 60, Issue 4
DOI: 10.1088/0959-5309/60/4/309

Grain boundary sliding, triple junction disclinations and strain hardening in ultrafine-grained and nanocrystalline metals
journal, September 2017

Ovid'ko, I. A.; Sheinerman, A. G.
International Journal of Plasticity, Vol. 96
DOI: 10.1016/j.ijplas.2017.05.005

Grain boundary doping strengthens nanocrystalline copper alloys
journal, October 2012

Özerinç, Sezer; Tai, Kaiping; Vo, Nhon Q.
Scripta Materialia, Vol. 67, Issue 7-8
DOI: 10.1016/j.scriptamat.2012.06.031

Effect of grain boundary character on segregation-induced structural transitions
journal, April 2016

Pan, Zhiliang; Rupert, Timothy J.
Physical Review B, Vol. 93, Issue 13
DOI: 10.1103/PhysRevB.93.134113

Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995

Plimpton, Steve
Journal of Computational Physics, Vol. 117, Issue 1
DOI: 10.1006/jcph.1995.1039

Influence of grain boundary structure and topology on the plastic deformation of nanocrystalline aluminum as studied by atomistic simulations
journal, October 2017

Prakash, A.; Weygand, D.; Bitzek, E.
International Journal of Plasticity, Vol. 97
DOI: 10.1016/j.ijplas.2017.05.011

〈110〉 symmetric tilt grain-boundary structures in fcc metals with low stacking-fault energies
journal, September 1996

Rittner, J. D.; Seidman, D. N.
Physical Review B, Vol. 54, Issue 10
DOI: 10.1103/PhysRevB.54.6999

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
DOI: 10.1103/PhysRevB.85.184203

A Maximum in the Strength of Nanocrystalline Copper
journal, September 2003

Schiotz, J.
Science, Vol. 301, Issue 5638
DOI: 10.1126/science.1086636

Evolution of the E structural unit during uniaxial and constrained tensile deformation
journal, January 2008

Spearot, Douglas E.
Mechanics Research Communications, Vol. 35, Issue 1-2
DOI: 10.1016/j.mechrescom.2007.09.002

Dislocation nucleation from bicrystal interfaces with dissociated structure
journal, January 2007

Spearot, D.; Jacob, K.; Mcdowell, D.
International Journal of Plasticity, Vol. 23, Issue 1
DOI: 10.1016/j.ijplas.2006.03.008

Tensile strength of 〈100〉 and 〈110〉 tilt bicrystal copper interfaces
journal, January 2007

Spearot, D.; Tschopp, M.; Jacob, K.
Acta Materialia, Vol. 55, Issue 2
DOI: 10.1016/j.actamat.2006.08.060

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
DOI: 10.1088/0965-0393/18/1/015012

Structure identification methods for atomistic simulations of crystalline materials
journal, May 2012

Stukowski, Alexander
Modelling and Simulation in Materials Science and Engineering, Vol. 20, Issue 4
DOI: 10.1088/0965-0393/20/4/045021

General formulation of pressure and stress tensor for arbitrary many-body interaction potentials under periodic boundary conditions
journal, October 2009

Thompson, Aidan P.; Plimpton, Steven J.; Mattson, William
The Journal of Chemical Physics, Vol. 131, Issue 15
DOI: 10.1063/1.3245303

Structure and free volume of 〈110〉 symmetric tilt grain boundaries with the E structural unit
journal, June 2007

Tschopp, M. A.; Tucker, G. J.; McDowell, D. L.
Acta Materialia, Vol. 55, Issue 11
DOI: 10.1016/j.actamat.2007.03.012

An embedded-atom potential for the Cu–Ag system
journal, May 2006

Williams, P. L.; Mishin, Y.; Hamilton, J. C.
Modelling and Simulation in Materials Science and Engineering, Vol. 14, Issue 5
DOI: 10.1088/0965-0393/14/5/002

Design of Cu8Zr5-based bulk metallic glasses
journal, June 2006

Yang, L.; Xia, J. H.; Wang, Q.
Applied Physics Letters, Vol. 88, Issue 24
DOI: 10.1063/1.2213020

Energetics of point defect interacting with grain boundaries undergone plastic deformations
journal, October 2016

Yu, Wenshan; Shen, Shengping
International Journal of Plasticity, Vol. 85
DOI: 10.1016/j.ijplas.2016.07.004

Unraveling the correlation between Hall-Petch slope and peak hardness in metallic nanolaminates
journal, September 2017

Zhang, J. Y.; Wu, K.; Zhang, L. Y.
International Journal of Plasticity, Vol. 96
DOI: 10.1016/j.ijplas.2017.04.020

Works referencing / citing this record:

Dislocation content in random high angle grain boundaries
journal, April 2019

Kuhr, Bryan; Farkas, Diana
Modelling and Simulation in Materials Science and Engineering, Vol. 27, Issue 4
DOI: 10.1088/1361-651x/ab122e

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Similar Records

Title: Effects of Ag and Zr solutes on dislocation emission from Σ11(332)[110] symmetric tilt grain boundaries in Cu: Bigger is not always better

Abstract

Citation Formats

Figures / Tables:

Thermodynamic modeling of the undercooled liquid in the Cu–Zr system journal, February 2006

The strongest size journal, November 2006

60 Years of Hall-Petch: Past to Present Nano-Scale Connections journal, January 2014

The stabilization of nanocrystalline copper by zirconium journal, January 2013

Effects of stable and unstable stacking fault energy on dislocation nucleation in nano-crystalline metals journal, November 2016

Effects of solutes on dislocation nucleation from grain boundaries journal, March 2017

Texture of Nanocrystalline Nickel: Probing the Lower Size Limit of Dislocation Activity journal, December 2012

Design of Stable Nanocrystalline Alloys journal, August 2012

Mitigating grain growth in binary nanocrystalline alloys through solute selection based on thermodynamic stability maps journal, March 2014

Comparison of the intergranular segregation for eight dilute binary metallic systems in the Σ 11′ {332} tilt grain boundary journal, June 2005

Interatomic Potentials from First-Principles Calculations: The Force-Matching Method journal, June 1994

Coupling between chemical and dynamic heterogeneities in a multicomponent bulk metallic glass journal, April 2010

Atomic-Scale Heterogeneity of a Multicomponent Bulk Metallic Glass with Excellent Glass Forming Ability journal, August 2009

Grain-size dependent mechanical behavior of nanocrystalline metals journal, October 2015

Molecular dynamics study of melting and freezing of small Lennard-Jones clusters journal, September 1987

Manipulating the interfacial structure of nanomaterials to achieve a unique combination of strength and ductility journal, February 2016

High-Temperature Stability and Grain Boundary Complexion Formation in a Nanocrystalline Cu-Zr Alloy journal, September 2015

A deformation mechanism based crystal plasticity model of ultrafine-grained/nanocrystalline FCC polycrystals journal, November 2016

Development of suitable interatomic potentials for simulation of liquid and amorphous Cu–Zr alloys journal, April 2009

Improving grain boundary sliding resistance with segregated dopants journal, September 2006

Slip at Grain Boundaries and Grain Growth in Metals journal, April 1948

Grain boundary sliding, triple junction disclinations and strain hardening in ultrafine-grained and nanocrystalline metals journal, September 2017

Grain boundary doping strengthens nanocrystalline copper alloys journal, October 2012

Effect of grain boundary character on segregation-induced structural transitions journal, April 2016

Fast Parallel Algorithms for Short-Range Molecular Dynamics journal, March 1995

Influence of grain boundary structure and topology on the plastic deformation of nanocrystalline aluminum as studied by atomistic simulations journal, October 2017

〈110〉 symmetric tilt grain-boundary structures in fcc metals with low stacking-fault energies journal, September 1996

Scalable parallel Monte Carlo algorithm for atomistic simulations of precipitation in alloys journal, May 2012

A Maximum in the Strength of Nanocrystalline Copper journal, September 2003

Evolution of the E structural unit during uniaxial and constrained tensile deformation journal, January 2008

Dislocation nucleation from bicrystal interfaces with dissociated structure journal, January 2007

Tensile strength of 〈100〉 and 〈110〉 tilt bicrystal copper interfaces journal, January 2007

Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool journal, December 2009

Structure identification methods for atomistic simulations of crystalline materials journal, May 2012

General formulation of pressure and stress tensor for arbitrary many-body interaction potentials under periodic boundary conditions journal, October 2009

Structure and free volume of 〈110〉 symmetric tilt grain boundaries with the E structural unit journal, June 2007

An embedded-atom potential for the Cu–Ag system journal, May 2006

Design of Cu8Zr5-based bulk metallic glasses journal, June 2006

Energetics of point defect interacting with grain boundaries undergone plastic deformations journal, October 2016

Unraveling the correlation between Hall-Petch slope and peak hardness in metallic nanolaminates journal, September 2017

Dislocation content in random high angle grain boundaries journal, April 2019

Thermodynamic modeling of the undercooled liquid in the Cu–Zr system
journal, February 2006

The strongest size
journal, November 2006

60 Years of Hall-Petch: Past to Present Nano-Scale Connections
journal, January 2014

The stabilization of nanocrystalline copper by zirconium
journal, January 2013

Effects of stable and unstable stacking fault energy on dislocation nucleation in nano-crystalline metals
journal, November 2016

Effects of solutes on dislocation nucleation from grain boundaries
journal, March 2017

Texture of Nanocrystalline Nickel: Probing the Lower Size Limit of Dislocation Activity
journal, December 2012

Design of Stable Nanocrystalline Alloys
journal, August 2012

Mitigating grain growth in binary nanocrystalline alloys through solute selection based on thermodynamic stability maps
journal, March 2014

Comparison of the intergranular segregation for eight dilute binary metallic systems in the Σ 11′ {332} tilt grain boundary
journal, June 2005

Interatomic Potentials from First-Principles Calculations: The Force-Matching Method
journal, June 1994

Coupling between chemical and dynamic heterogeneities in a multicomponent bulk metallic glass
journal, April 2010

Atomic-Scale Heterogeneity of a Multicomponent Bulk Metallic Glass with Excellent Glass Forming Ability
journal, August 2009

Grain-size dependent mechanical behavior of nanocrystalline metals
journal, October 2015

Molecular dynamics study of melting and freezing of small Lennard-Jones clusters
journal, September 1987

Manipulating the interfacial structure of nanomaterials to achieve a unique combination of strength and ductility
journal, February 2016

High-Temperature Stability and Grain Boundary Complexion Formation in a Nanocrystalline Cu-Zr Alloy
journal, September 2015

A deformation mechanism based crystal plasticity model of ultrafine-grained/nanocrystalline FCC polycrystals
journal, November 2016

Development of suitable interatomic potentials for simulation of liquid and amorphous Cu–Zr alloys
journal, April 2009

Improving grain boundary sliding resistance with segregated dopants
journal, September 2006

Slip at Grain Boundaries and Grain Growth in Metals
journal, April 1948

Grain boundary sliding, triple junction disclinations and strain hardening in ultrafine-grained and nanocrystalline metals
journal, September 2017

Grain boundary doping strengthens nanocrystalline copper alloys
journal, October 2012

Effect of grain boundary character on segregation-induced structural transitions
journal, April 2016

Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995

Influence of grain boundary structure and topology on the plastic deformation of nanocrystalline aluminum as studied by atomistic simulations
journal, October 2017

〈110〉 symmetric tilt grain-boundary structures in fcc metals with low stacking-fault energies
journal, September 1996

Scalable parallel Monte Carlo algorithm for atomistic simulations of precipitation in alloys
journal, May 2012

A Maximum in the Strength of Nanocrystalline Copper
journal, September 2003

Evolution of the E structural unit during uniaxial and constrained tensile deformation
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Dislocation nucleation from bicrystal interfaces with dissociated structure
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Tensile strength of 〈100〉 and 〈110〉 tilt bicrystal copper interfaces
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Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool
journal, December 2009

Structure identification methods for atomistic simulations of crystalline materials
journal, May 2012

General formulation of pressure and stress tensor for arbitrary many-body interaction potentials under periodic boundary conditions
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Structure and free volume of 〈110〉 symmetric tilt grain boundaries with the E structural unit
journal, June 2007

An embedded-atom potential for the Cu–Ag system
journal, May 2006

Design of Cu8Zr5-based bulk metallic glasses
journal, June 2006

Energetics of point defect interacting with grain boundaries undergone plastic deformations
journal, October 2016

Unraveling the correlation between Hall-Petch slope and peak hardness in metallic nanolaminates
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Dislocation content in random high angle grain boundaries
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