The effect of local chemical ordering on Frank-Read source activation in a refractory multi-principal element alloy
Abstract
In this work, we investigate the operation of Frank-Read (FR) sources in a refractory multi-principal element alloy (MPEA). Simulations of discrete dislocation motion in MPEAs is enabled by the development of a phase field dislocation dynamics model that treats the atomic-scale fluctuations in lattice energies across the glide plane, present due to local ordering in the chemical composition within the nominally random MPEA atomic structure. We consider, through simulation, a range of length scales over which ordering occurs, varying from short-range lengths, a few times dislocation core width, to long-range lengths, an order of magnitude longer than the core. Characteristic of this body-centered cubic MPEA, the simulations also include screw/edge character dependence in glide resistance, as informed by atomic scale simulation. The critical stresses to activate the source for the same source size are found to be statistically distributed, as a direct consequence of the underlying variation in lattice energy. Furthermore, analysis of critical state for activating edge and screw FR sources in the MPEA reveals that FR source operation occurs via a two-step mechanism, involving athermal kink-pair formation, unlike the conventional FR source operation in a material with no composition fluctuations. This mechanism lowers the average critical stress requiredmore »
- Authors:
-
[4];
- Univ. of California, Santa Barbara, CA (United States); Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Univ. of California, Santa Barbara, CA (United States)
- Univ. of California, Santa Barbara, CA (United States). California NanoSystems Inst.
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Univ. of California, Santa Barbara, CA (United States); Univ. of California, Santa Barbara, CA (United States). California NanoSystems Inst.
- Publication Date:
- Research Org.:
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA); US Office of Naval Research (ONR); National Science Foundation (NSF)
- OSTI Identifier:
- 1783527
- Alternate Identifier(s):
- OSTI ID: 1659552
- Report Number(s):
- LA-UR-20-24081
Journal ID: ISSN 0749-6419
- Grant/Contract Number:
- 89233218CNA000001; N00014-18-1-2392; CNS-1725797; DMR 1720256
- Resource Type:
- Accepted Manuscript
- Journal Name:
- International Journal of Plasticity
- Additional Journal Information:
- Journal Volume: 134; Journal ID: ISSN 0749-6419
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; dislocations; dynamics; inhomogeneous material; metallic material; medium entropy alloy
Citation Formats
Smith, Lauren Taylor Wisbey, Su, Yanqing, Xu, Shuozhi, Hunter, Abigail, and Beyerlein, Irene Jane. The effect of local chemical ordering on Frank-Read source activation in a refractory multi-principal element alloy. United States: N. p., 2020.
Web. doi:10.1016/j.ijplas.2020.102850.
Smith, Lauren Taylor Wisbey, Su, Yanqing, Xu, Shuozhi, Hunter, Abigail, & Beyerlein, Irene Jane. The effect of local chemical ordering on Frank-Read source activation in a refractory multi-principal element alloy. United States. https://doi.org/10.1016/j.ijplas.2020.102850
Smith, Lauren Taylor Wisbey, Su, Yanqing, Xu, Shuozhi, Hunter, Abigail, and Beyerlein, Irene Jane. Tue .
"The effect of local chemical ordering on Frank-Read source activation in a refractory multi-principal element alloy". United States. https://doi.org/10.1016/j.ijplas.2020.102850. https://www.osti.gov/servlets/purl/1783527.
@article{osti_1783527,
title = {The effect of local chemical ordering on Frank-Read source activation in a refractory multi-principal element alloy},
author = {Smith, Lauren Taylor Wisbey and Su, Yanqing and Xu, Shuozhi and Hunter, Abigail and Beyerlein, Irene Jane},
abstractNote = {In this work, we investigate the operation of Frank-Read (FR) sources in a refractory multi-principal element alloy (MPEA). Simulations of discrete dislocation motion in MPEAs is enabled by the development of a phase field dislocation dynamics model that treats the atomic-scale fluctuations in lattice energies across the glide plane, present due to local ordering in the chemical composition within the nominally random MPEA atomic structure. We consider, through simulation, a range of length scales over which ordering occurs, varying from short-range lengths, a few times dislocation core width, to long-range lengths, an order of magnitude longer than the core. Characteristic of this body-centered cubic MPEA, the simulations also include screw/edge character dependence in glide resistance, as informed by atomic scale simulation. The critical stresses to activate the source for the same source size are found to be statistically distributed, as a direct consequence of the underlying variation in lattice energy. Furthermore, analysis of critical state for activating edge and screw FR sources in the MPEA reveals that FR source operation occurs via a two-step mechanism, involving athermal kink-pair formation, unlike the conventional FR source operation in a material with no composition fluctuations. This mechanism lowers the average critical stress required to activate the FR source and causes the statistical dispersion in critical stress to depend on the range of composition ordering. More importantly, it leads to a more severe dependence of source strength on FR source length than predicted by line tension alone.},
doi = {10.1016/j.ijplas.2020.102850},
journal = {International Journal of Plasticity},
number = ,
volume = 134,
place = {United States},
year = {Tue Sep 01 00:00:00 EDT 2020},
month = {Tue Sep 01 00:00:00 EDT 2020}
}
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Works referenced in this record:
Theory of screw dislocation strengthening in random BCC alloys from dilute to “High-Entropy” alloys
journal, January 2020
- Maresca, Francesco; Curtin, William A.
- Acta Materialia, Vol. 182
Dislocation-density dynamics for modeling the cores and Peierls stress of curved dislocations
journal, May 2018
- Zhang, Yuqi; Ngan, Alfonso H. W.
- International Journal of Plasticity, Vol. 104
Conventional vs harmonic-structured β-Ti-25Nb-25Zr alloys: A comparative study of deformation mechanisms
journal, December 2018
- Mompiou, F.; Tingaud, D.; Chang, Y.
- Acta Materialia, Vol. 161
Local Structure and Short-Range Order in a NiCoCr Solid Solution Alloy
journal, May 2017
- Zhang, F. X.; Zhao, Shijun; Jin, Ke
- Physical Review Letters, Vol. 118, Issue 20
Complex strengthening mechanisms in the NbMoTaW multi-principal element alloy
journal, June 2020
- Li, Xiang-Guo; Chen, Chi; Zheng, Hui
- npj Computational Materials, Vol. 6, Issue 1
On the room temperature deformation mechanisms of a TiZrHfNbTa refractory high-entropy alloy
journal, October 2015
- Couzinié, J. -Ph.; Lilensten, L.; Champion, Y.
- Materials Science and Engineering: A, Vol. 645
Tensile properties of high- and medium-entropy alloys
journal, August 2013
- Gali, A.; George, E. P.
- Intermetallics, Vol. 39
Simulations of bcc tantalum screw dislocations: Why classical inter-atomic potentials predict {112} slip
journal, July 2014
- Hale, Lucas M.; Zimmerman, Jonathan A.; Weinberger, Christopher R.
- Computational Materials Science, Vol. 90
The influences of temperature and microstructure on the tensile properties of a CoCrFeMnNi high-entropy alloy
journal, September 2013
- Otto, F.; Dlouhý, A.; Somsen, Ch.
- Acta Materialia, Vol. 61, Issue 15
The thermally activated deformation of niobium-molybdenum and niobium-rhenium alloy single crystals
journal, November 1972
- Statham, C. D.; Koss, D. A.; Christian, J. W.
- Philosophical Magazine, Vol. 26, Issue 5
Study of the plastic deformation mechanism of TRIP–TWIP high entropy alloys at the atomic level
journal, April 2020
- Bahramyan, Mehran; Mousavian, Reza Taherzadeh; Brabazon, Dermot
- International Journal of Plasticity, Vol. 127
Strength and ductility of CrFeCoNiMo alloy with hierarchical microstructures
journal, February 2019
- Ming, Kaisheng; Bi, Xiaofang; Wang, Jian
- International Journal of Plasticity, Vol. 113
Local-environment dependence of stacking fault energies in concentrated solid-solution alloys
journal, February 2019
- Zhao, Shijun; Osetsky, Yuri; Stocks, G. Malcolm
- npj Computational Materials, Vol. 5, Issue 1
A differential-exponential hardening law for non-Schmid crystal plasticity finite element modeling of ferrite single crystals
journal, April 2017
- Mapar, A.; Ghassemi-Armaki, H.; Pourboghrat, F.
- International Journal of Plasticity, Vol. 91
Phase-field-based calculations of the disregistry fields of static extended dislocations in FCC metals
journal, February 2019
- Xu, Shuozhi; Mianroodi, Jaber R.; Hunter, Abigail
- Philosophical Magazine, Vol. 99, Issue 11
Short-range order and its impact on the CrCoNi medium-entropy alloy
journal, May 2020
- Zhang, Ruopeng; Zhao, Shiteng; Ding, Jun
- Nature, Vol. 581, Issue 7808
A continuum model for dislocation dynamics incorporating Frank–Read sources and Hall–Petch relation in two dimensions
journal, September 2014
- Zhu, Yichao; Wang, Hanquan; Zhu, Xiaohong
- International Journal of Plasticity, Vol. 60
Microstructures and properties of high-entropy alloys
journal, April 2014
- Zhang, Yong; Zuo, Ting Ting; Tang, Zhi
- Progress in Materials Science, Vol. 61
Relationship between monolayer stacking faults and twins in nanocrystals
journal, April 2015
- Hunter, A.; Beyerlein, I. J.
- Acta Materialia, Vol. 88
A phase field model for dislocations in hexagonal close packed crystals
journal, April 2020
- Albrecht, C.; Hunter, A.; Kumar, A.
- Journal of the Mechanics and Physics of Solids, Vol. 137
Slip planes in bcc transition metals
journal, June 2013
- Weinberger, C. R.; Boyce, B. L.; Battaile, C. C.
- International Materials Reviews, Vol. 58, Issue 5
Coupled crystal orientation-size effects on the strength of nano crystals
journal, May 2016
- Yuan, Rui; Beyerlein, Irene J.; Zhou, Caizhi
- Scientific Reports, Vol. 6, Issue 1
Analysis of strengthening due to grain boundaries and annealing twin boundaries in the CrCoNi medium-entropy alloy
journal, January 2020
- Schneider, M.; George, E. P.; Manescau, T. J.
- International Journal of Plasticity, Vol. 124
Frank-Read source operation in six body-centered cubic refractory metals
journal, August 2020
- Xu, Shuozhi; Su, Yanqing; Smith, Lauren T. W.
- Journal of the Mechanics and Physics of Solids, Vol. 141
Understanding dislocation mechanics at the mesoscale using phase field dislocation dynamics
journal, April 2016
- Beyerlein, I. J.; Hunter, A.
- Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 374, Issue 2066
Short-Range Order in High Entropy Alloys: Theoretical Formulation and Application to Mo-Nb-Ta-V-W System
journal, July 2017
- Fernández-Caballero, A.; Wróbel, J. S.; Mummery, P. M.
- Journal of Phase Equilibria and Diffusion, Vol. 38, Issue 4
Single crystal yield criterion for chromium based on atomistic studies of isolated 1/2[111] screw dislocations
journal, September 2020
- Gröger, Roman; Vitek, Vaclav
- International Journal of Plasticity, Vol. 132
First-principles prediction of kink-pair activation enthalpy on screw dislocations in bcc transition metals: V, Nb, Ta, Mo, W, and Fe
journal, March 2015
- Dezerald, L.; Proville, L.; Ventelon, Lisa
- Physical Review B, Vol. 91, Issue 9
Simulation of 3-D random rough surface by 2-D digital filter and fourier analysis
journal, February 1992
- Hu, Y. Z.; Tonder, K.
- International Journal of Machine Tools and Manufacture, Vol. 32, Issue 1-2
Modeling solution hardening in BCC refractory complex concentrated alloys: NbTiZr, Nb1.5TiZr0.5 and Nb0.5TiZr1.5
journal, April 2019
- Rao, S. I.; Akdim, B.; Antillon, E.
- Acta Materialia, Vol. 168
Study of a bcc multi-principal element alloy: Tensile and simple shear properties and underlying deformation mechanisms
journal, January 2018
- Lilensten, L.; Couzinié, J. -P.; Perrière, L.
- Acta Materialia, Vol. 142
LXV. On the theory of the low-temperature internal friction peak observed in metals
journal, July 1956
- Seeger, Alfred
- Philosophical Magazine, Vol. 1, Issue 7
Density functional theory calculations of generalized stacking fault energy surfaces for eight face-centered cubic transition metals
journal, September 2019
- Su, Yanqing; Xu, Shuozhi; Beyerlein, Irene J.
- Journal of Applied Physics, Vol. 126, Issue 10
Unusual activated processes controlling dislocation motion in body-centered-cubic high-entropy alloys
journal, June 2020
- Chen, Bing; Li, Suzhi; Zong, Hongxiang
- Proceedings of the National Academy of Sciences, Vol. 117, Issue 28
Modeling dislocations with arbitrary character angle in face-centered cubic transition metals using the phase-field dislocation dynamics method with full anisotropic elasticity
journal, December 2019
- Xu, Shuozhi; Su, Yanqing; Beyerlein, Irene J.
- Mechanics of Materials, Vol. 139
Body-centered cubic high-entropy alloys: From processing to underlying deformation mechanisms
journal, January 2019
- Couzinié, J. -P.; Dirras, G.
- Materials Characterization, Vol. 147
Atomic short-range order and incipient long-range order in high-entropy alloys
journal, June 2015
- Singh, Prashant; Smirnov, A. V.; Johnson, D. D.
- Physical Review B, Vol. 91, Issue 22
Tunable stacking fault energies by tailoring local chemical order in CrCoNi medium-entropy alloys
journal, August 2018
- Ding, Jun; Yu, Qin; Asta, Mark
- Proceedings of the National Academy of Sciences, Vol. 115, Issue 36
First-principles study on the mobility of screw dislocations in bcc iron
journal, May 2012
- Itakura, M.; Kaburaki, H.; Yamaguchi, M.
- Acta Materialia, Vol. 60, Issue 9
Atomistic simulations of dislocations in a model BCC multicomponent concentrated solid solution alloy
journal, February 2017
- Rao, S. I.; Varvenne, C.; Woodward, C.
- Acta Materialia, Vol. 125
Allgemeine Kontinuumstheorie der Versetzungen und Eigenspannungen
journal, January 1959
- Kröner, Ekkehart
- Archive for Rational Mechanics and Analysis, Vol. 4, Issue 1
A 3D phase field dislocation dynamics model for body-centered cubic crystals
journal, January 2020
- Peng, Xiaoyao; Mathew, Nithin; Beyerlein, Irene J.
- Computational Materials Science, Vol. 171
Ab initio investigation of the Peierls potential of screw dislocations in bcc Fe and W
journal, June 2013
- Ventelon, Lisa; Willaime, F.; Clouet, E.
- Acta Materialia, Vol. 61, Issue 11
The effect of randomness on the strength of high-entropy alloys
journal, March 2019
- Zhang, Luchan; Xiang, Yang; Han, Jian
- Acta Materialia, Vol. 166
Understanding the physical metallurgy of the CoCrFeMnNi high-entropy alloy: an atomistic simulation study
journal, January 2018
- Choi, Won-Mi; Jo, Yong Hee; Sohn, Seok Su
- npj Computational Materials, Vol. 4, Issue 1
Predicting the size scaling in strength of nanolayered materials by a discrete slip crystal plasticity model
journal, January 2020
- Chen, Tianju; Yuan, Rui; Beyerlein, Irene J.
- International Journal of Plasticity, Vol. 124
Comparative modeling of the disregistry and Peierls stress for dissociated edge and screw dislocations in Al
journal, June 2020
- Xu, Shuozhi; Mianroodi, Jaber R.; Hunter, Abigail
- International Journal of Plasticity, Vol. 129
Development and exploration of refractory high entropy alloys—A review
journal, June 2018
- Senkov, Oleg N.; Miracle, Daniel B.; Chaput, Kevin J.
- Journal of Materials Research, Vol. 33, Issue 19
Simultaneously enhancing strength and ductility of a high-entropy alloy via gradient hierarchical microstructures
journal, December 2019
- Hasan, M. N.; Liu, Y. F.; An, X. H.
- International Journal of Plasticity, Vol. 123
Ductile Nb alloys with reduced density and cost
journal, November 2019
- Senkov, O. N.; Rao, S. I.; Butler, T. M.
- Journal of Alloys and Compounds, Vol. 808
Ab Initio Study of Screw Dislocations in Mo and Ta: A New Picture of Plasticity in bcc Transition Metals
journal, February 2000
- Ismail-Beigi, Sohrab; Arias, T. A.
- Physical Review Letters, Vol. 84, Issue 7
Properties of dislocation lines in crystals with strong atomic-scale disorder
journal, January 2019
- Zhai, Jian-Hui; Zaiser, Michael
- Materials Science and Engineering: A, Vol. 740-741
Solution hardening in body-centered cubic quaternary alloys interpreted using Suzuki's kink-solute interaction model
journal, May 2019
- Rao, S. I.; Antillon, E.; Woodward, C.
- Scripta Materialia, Vol. 165
Microstructural investigation of plastically deformed Ti20Zr20Hf20Nb20Ta20 high entropy alloy by X-ray diffraction and transmission electron microscopy
journal, October 2015
- Dirras, G.; Gubicza, J.; Heczel, A.
- Materials Characterization, Vol. 108
Atomistic simulations of dislocation behavior in a model FCC multicomponent concentrated solid solution alloy
journal, August 2017
- Rao, S. I.; Woodward, C.; Parthasarathy, T. A.
- Acta Materialia, Vol. 134
The bowing of a dislocation segment
journal, May 1967
- Foreman, A. J. E.
- Philosophical Magazine, Vol. 15, Issue 137
The glide of screw dislocations in bcc Fe: Atomistic static and dynamic simulations☆
journal, August 2006
- Chaussidon, J.; Fivel, M.; Rodney, D.
- Acta Materialia, Vol. 54, Issue 13
Ab initio modeling of the two-dimensional energy landscape of screw dislocations in bcc transition metals
journal, January 2014
- Dezerald, L.; Ventelon, Lisa; Clouet, E.
- Physical Review B, Vol. 89, Issue 2
Singular orientations and faceted motion of dislocations in body-centered cubic crystals
journal, September 2012
- Kang, K.; Bulatov, V. V.; Cai, W.
- Proceedings of the National Academy of Sciences, Vol. 109, Issue 38
A phase-field theory of dislocation dynamics, strain hardening and hysteresis in ductile single crystals
journal, December 2002
- Koslowski, M.; Cuitiño, A. M.; Ortiz, M.
- Journal of the Mechanics and Physics of Solids, Vol. 50, Issue 12
A critical review of high entropy alloys and related concepts
journal, January 2017
- Miracle, D. B.; Senkov, O. N.
- Acta Materialia, Vol. 122
Peierls potential of screw dislocations in bcc transition metals: Predictions from density functional theory
journal, February 2013
- Weinberger, Christopher R.; Tucker, Garritt J.; Foiles, Stephen M.
- Physical Review B, Vol. 87, Issue 5
Elastic constants of pure body-centered cubic Mg in nanolaminates
journal, March 2020
- Su, Yanqing; Ardeljan, Milan; Knezevic, Marko
- Computational Materials Science, Vol. 174
Multiplicity of dislocation pathways in a refractory multiprincipal element alloy
journal, October 2020
- Wang, Fulin; Balbus, Glenn H.; Xu, Shuozhi
- Science, Vol. 370, Issue 6512
Emergence of grain-size effects in nanocrystalline metals from statistical activation of discrete dislocation sources
journal, May 2015
- Yuan, Rui; Beyerlein, Irene J.; Zhou, Caizhi
- Acta Materialia, Vol. 90
Mechanistic origin of high strength in refractory BCC high entropy alloys up to 1900K
journal, January 2020
- Maresca, Francesco; Curtin, William A.
- Acta Materialia, Vol. 182
Effects of the stacking fault energy fluctuations on the strengthening of alloys
journal, February 2019
- Zeng, Yifei; Cai, Xiaorong; Koslowski, Marisol
- Acta Materialia, Vol. 164
Quantifying the dynamics of dislocation kinks in iron and tungsten through atomistic simulations
journal, May 2020
- Ji, Rigelesaiyin; Phan, Thanh; Chen, Hao
- International Journal of Plasticity, Vol. 128
Multiplication Processes for Slow Moving Dislocations
journal, August 1950
- Frank, F. C.; Read, W. T.
- Physical Review, Vol. 79, Issue 4
An atomistically informed kinetic Monte Carlo model for predicting solid solution strengthening of body-centered cubic alloys
journal, November 2019
- Shinzato, Shuhei; Wakeda, Masato; Ogata, Shigenobu
- International Journal of Plasticity, Vol. 122
Modeling the temperature and high strain rate sensitivity in BCC iron: Atomistically informed multiscale dislocation dynamics simulations
journal, January 2019
- El Ters, Pascale; Shehadeh, Mutasem A.
- International Journal of Plasticity, Vol. 112
Mechanical properties of high-entropy alloys with emphasis on face-centered cubic alloys
journal, May 2019
- Li, Zezhou; Zhao, Shiteng; Ritchie, Robert O.
- Progress in Materials Science, Vol. 102
Atomistic calculations of the generalized stacking fault energies in two refractory multi-principal element alloys
journal, September 2020
- Xu, Shuozhi; Hwang, Emily; Jian, Wu-Rong
- Intermetallics, Vol. 124
Towards a greater understanding of serrated flows in an Al-containing high-entropy-based alloy
journal, April 2019
- Brechtl, J.; Chen, S. Y.; Xie, X.
- International Journal of Plasticity, Vol. 115