Suppression of vacancy cluster growth in concentrated solid solution alloys
Abstract
Large vacancy clusters, such as stacking-fault tetrahedra, are detrimental vacancy-type defects in ion-irradiated structural alloys. Suppression of vacancy cluster formation and growth is highly desirable to improve the irradiation tolerance of these materials. In this paper, we demonstrate that vacancy cluster growth can be inhibited in concentrated solid solution alloys by modifying cluster migration pathways and diffusion kinetics. The alloying effects of Fe and Cr on the migration of vacancy clusters in Ni concentrated alloys are investigated by molecular dynamics simulations and ion irradiation experiment. While the diffusion coefficients of small vacancy clusters in Ni-based binary and ternary solid solution alloys are higher than in pure Ni, they become lower for large clusters. This observation suggests that large clusters can easily migrate and grow to very large sizes in pure Ni. In contrast, cluster growth is suppressed in solid solution alloys owing to the limited mobility of large vacancy clusters. Finally, the differences in cluster sizes and mobilities in Ni and in solid solution alloys are consistent with the results from ion irradiation experiments.
- Authors:
-
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division
- Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science and Engineering
- Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science and Engineering; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division; Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science and Engineering
- Publication Date:
- Research Org.:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States); Energy Frontier Research Centers (EFRC) (United States). Energy Dissipation to Defect Evolution (EDDE)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1343528
- Alternate Identifier(s):
- OSTI ID: 1397785
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Acta Materialia
- Additional Journal Information:
- Journal Volume: 125; Journal ID: ISSN 1359-6454
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; Molecular dynamics simulations; Ion irradiation; Concentrated solid-solution alloys; Ni-based alloys; Vacancy cluster; Stacking fault tetrahedron
Citation Formats
Zhao, Shijun, Velisa, Gihan, Xue, Haizhou, Bei, Hongbin, Weber, William J., and Zhang, Yanwen. Suppression of vacancy cluster growth in concentrated solid solution alloys. United States: N. p., 2016.
Web. doi:10.1016/j.actamat.2016.11.050.
Zhao, Shijun, Velisa, Gihan, Xue, Haizhou, Bei, Hongbin, Weber, William J., & Zhang, Yanwen. Suppression of vacancy cluster growth in concentrated solid solution alloys. United States. https://doi.org/10.1016/j.actamat.2016.11.050
Zhao, Shijun, Velisa, Gihan, Xue, Haizhou, Bei, Hongbin, Weber, William J., and Zhang, Yanwen. Tue .
"Suppression of vacancy cluster growth in concentrated solid solution alloys". United States. https://doi.org/10.1016/j.actamat.2016.11.050. https://www.osti.gov/servlets/purl/1343528.
@article{osti_1343528,
title = {Suppression of vacancy cluster growth in concentrated solid solution alloys},
author = {Zhao, Shijun and Velisa, Gihan and Xue, Haizhou and Bei, Hongbin and Weber, William J. and Zhang, Yanwen},
abstractNote = {Large vacancy clusters, such as stacking-fault tetrahedra, are detrimental vacancy-type defects in ion-irradiated structural alloys. Suppression of vacancy cluster formation and growth is highly desirable to improve the irradiation tolerance of these materials. In this paper, we demonstrate that vacancy cluster growth can be inhibited in concentrated solid solution alloys by modifying cluster migration pathways and diffusion kinetics. The alloying effects of Fe and Cr on the migration of vacancy clusters in Ni concentrated alloys are investigated by molecular dynamics simulations and ion irradiation experiment. While the diffusion coefficients of small vacancy clusters in Ni-based binary and ternary solid solution alloys are higher than in pure Ni, they become lower for large clusters. This observation suggests that large clusters can easily migrate and grow to very large sizes in pure Ni. In contrast, cluster growth is suppressed in solid solution alloys owing to the limited mobility of large vacancy clusters. Finally, the differences in cluster sizes and mobilities in Ni and in solid solution alloys are consistent with the results from ion irradiation experiments.},
doi = {10.1016/j.actamat.2016.11.050},
journal = {Acta Materialia},
number = ,
volume = 125,
place = {United States},
year = {Tue Dec 13 00:00:00 EST 2016},
month = {Tue Dec 13 00:00:00 EST 2016}
}
Web of Science
Works referenced in this record:
Irradiation hardening in copper and nickel
journal, October 1960
- Makin, M. J.; Minter, F. J.
- Acta Metallurgica, Vol. 8, Issue 10
On the formation of stacking fault tetrahedra in irradiated austenitic stainless steels – A literature review
journal, November 2013
- Schibli, Raluca; Schäublin, Robin
- Journal of Nuclear Materials, Vol. 442, Issue 1-3
Void swelling and defect cluster formation in reactor-irradiated copper
journal, December 1989
- Zinkle, S. J.; Farrell, K.
- Journal of Nuclear Materials, Vol. 168, Issue 3
Story of stacking fault tetrahedra
journal, September 1997
- Kiritani, M.
- Materials Chemistry and Physics, Vol. 50, Issue 2
The formation of stacking fault tetrahedra in Al and CuII. SFT growth by successive absorption of vacancies generated by dipole annihilation
journal, January 2011
- Wang, H.; Xu, D. S.; Yang, R.
- Acta Materialia, Vol. 59, Issue 1
Direct observations of defects in quenched gold
journal, January 1959
- Silcox, J.; Hirsch, P. B.
- Philosophical Magazine, Vol. 4, Issue 37
Atomistic simulation of stacking fault tetrahedra formation in Cu
journal, December 2000
- Wirth, B. D.; Bulatov, V.; Diaz de la Rubia, T.
- Journal of Nuclear Materials, Vol. 283-287
Formation of stacking-fault tetrahedra in collision cascades
journal, May 1999
- Nordlund, K.; Gao, F.
- Applied Physics Letters, Vol. 74, Issue 18
Direct Transformation of Vacancy Voids to Stacking Fault Tetrahedra
journal, September 2007
- Uberuaga, B. P.; Hoagland, R. G.; Voter, A. F.
- Physical Review Letters, Vol. 99, Issue 13
Formation and growth of stacking fault tetrahedra in Ni via vacancy aggregation mechanism
journal, March 2016
- Aidhy, Dilpuneet S.; Lu, Chenyang; Jin, Ke
- Scripta Materialia, Vol. 114
Review: Evolution of stacking fault tetrahedra and its role in defect accumulation under cascade damage conditions
journal, July 2004
- Singh, B. N.; Golubov, S. I.; Trinkaus, H.
- Journal of Nuclear Materials, Vol. 328, Issue 2-3
Dynamic observation of the collapse process of a stacking fault tetrahedron by moving dislocations
journal, August 2004
- Matsukawa, Yoshitaka; Zinkle, Steven J.
- Journal of Nuclear Materials, Vol. 329-333
Mechanisms of stacking fault tetrahedra destruction by gliding dislocations in quenched gold
journal, February 2008
- Matsukawa, Y.; Osetsky, Y. N.; Stoller, R. E.
- Philosophical Magazine, Vol. 88, Issue 4
Influence of chemical disorder on energy dissipation and defect evolution in concentrated solid solution alloys
journal, October 2015
- Zhang, Yanwen; Stocks, G. Malcolm; Jin, Ke
- Nature Communications, Vol. 6, Issue 1
A fracture-resistant high-entropy alloy for cryogenic applications
journal, September 2014
- Gludovatz, B.; Hohenwarter, A.; Catoor, D.
- Science, Vol. 345, Issue 6201
Defect energetics of concentrated solid-solution alloys from ab initio calculations: Ni 0.5 Co 0.5 , Ni 0.5 Fe 0.5 , Ni 0.8 Fe 0.2 and Ni 0.8 Cr 0.2
journal, January 2016
- Zhao, Shijun; Stocks, G. Malcolm; Zhang, Yanwen
- Physical Chemistry Chemical Physics, Vol. 18, Issue 34
Mobility and coalescence of stacking fault tetrahedra in Cu
journal, March 2015
- Martínez, Enrique; Uberuaga, Blas P.
- Scientific Reports, Vol. 5, Issue 1
Direct Observation of Defect Range and Evolution in Ion-Irradiated Single Crystalline Ni and Ni Binary Alloys
journal, February 2016
- Lu, Chenyang; Jin, Ke; Béland, Laurent K.
- Scientific Reports, Vol. 6, Issue 1
Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995
- Plimpton, Steve
- Journal of Computational Physics, Vol. 117, Issue 1
Interatomic potential for studying ageing under irradiation in stainless steels: the FeNiCr model alloy
journal, October 2013
- Bonny, G.; Castin, N.; Terentyev, D.
- Modelling and Simulation in Materials Science and Engineering, Vol. 21, Issue 8
Interatomic potential for the ternary Ni–Al–Co system and application to atomistic modeling of the B2–L1 0 martensitic transformation
journal, July 2015
- Purja Pun, G. P.; Yamakov, V.; Mishin, Y.
- Modelling and Simulation in Materials Science and Engineering, Vol. 23, Issue 6
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
Atomistic study of multimechanism diffusion by self-interstitial defects in α-Fe
journal, January 2010
- Anento, N.; Serra, A.; Osetsky, Yu N.
- Modelling and Simulation in Materials Science and Engineering, Vol. 18, Issue 2
One-dimensional atomic transport by clusters of self-interstitial atoms in iron and copper
journal, January 2003
- Osetsky, Yu. N.; Bacon, D. J.; Serra, A.
- Philosophical Magazine, Vol. 83, Issue 1
Mechanism of Radiation Damage Reduction in Equiatomic Multicomponent Single Phase Alloys
journal, April 2016
- Granberg, F.; Nordlund, K.; Ullah, Mohammad W.
- Physical Review Letters, Vol. 116, Issue 13
Influence of chemical disorder on energy dissipation and defect evolution in advanced alloys
journal, August 2016
- Zhang, Yanwen; Jin, Ke; Xue, Haizhou
- Journal of Materials Research, Vol. 31, Issue 16
New ion beam materials laboratory for materials modification and irradiation effects research
journal, November 2014
- Zhang, Y.; Crespillo, M. L.; Xue, H.
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 338
Simultaneous analysis of three-dimensional percolation models
journal, November 2013
- Xu, Xiao; Wang, Junfeng; Lv, Jian-Ping
- Frontiers of Physics, Vol. 9, Issue 1
Interatomic potential to study plasticity in stainless steels: the FeNiCr model alloy
journal, November 2011
- Bonny, G.; Terentyev, D.; Pasianot, R. C.
- Modelling and Simulation in Materials Science and Engineering, Vol. 19, Issue 8
Features of primary damage by high energy displacement cascades in concentrated Ni-based alloys
journal, February 2016
- Béland, Laurent Karim; Lu, Chenyang; Osetskiy, Yuri N.
- Journal of Applied Physics, Vol. 119, Issue 8
Density functional calculations of the formation and migration enthalpies of monovacancies in Ni: Comparison of local and nonlocal approaches
journal, August 2006
- Megchiche, El Hocine; Pérusin, Simon; Barthelat, Jean-Claude
- Physical Review B, Vol. 74, Issue 6
First principles calculations of vacancy–vacancy interactions in nickel: thermal expansion effects
journal, November 2010
- Megchiche, E. H.; Mijoule, C.; Amarouche, M.
- Journal of Physics: Condensed Matter, Vol. 22, Issue 48
Stacking-fault imaging using transmission ion channeling
journal, February 1995
- King, P. J. C.; Breese, M. B. H.; Wilshaw, P. R.
- Physical Review B, Vol. 51, Issue 5
Works referencing / citing this record:
Unique Challenges for Modeling Defect Dynamics in Concentrated Solid-Solution Alloys
journal, July 2017
- Zhao, Shijun; Weber, William J.; Zhang, Yanwen
- JOM, Vol. 69, Issue 11
Irradiation responses and defect behavior of single-phase concentrated solid solution alloys
journal, September 2018
- Yang, Tengfei; Li, Congyi; Zinkle, Steven J.
- Journal of Materials Research, Vol. 33, Issue 19
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
Atomistic simulation of defect-dislocation interactions in concentrated solid-solution alloys
journal, October 2019
- Zhao, Shijun; Osetsky, Yuri; Zhang, Yanwen
- Physical Review Materials, Vol. 3, Issue 10
Origin of radiation resistance in multi-principal element alloys
journal, October 2018
- Do, Hyeon-Seok; Lee, Byeong-Joo
- Scientific Reports, Vol. 8, Issue 1
Delayed damage accumulation by athermal suppression of defect production in concentrated solid solution alloys [Supplementary Data]
preprint, December 2017
- Velişa, G.; Wendler, E.; Zhao, S.
- Figshare-Supplementary information for journal article at DOI: 10.1080/21663831.2017.1410863, 1 .docx file (2.08 MB)
Delayed damage accumulation by athermal suppression of defect production in concentrated solid solution alloys
journal, December 2017
- Velişa, G.; Wendler, E.; Zhao, S.
- Materials Research Letters, Vol. 6, Issue 2