DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: 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:
 [1];  [1];  [2]; ORCiD logo [1];  [3];  [4]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division
  2. Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science and Engineering
  3. 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
  4. 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}
}

Journal Article:

Citation Metrics:
Cited by: 36 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Irradiation hardening in copper and nickel
journal, October 1960


On the formation of stacking fault tetrahedra in irradiated austenitic stainless steels – A literature review
journal, November 2013


Void swelling and defect cluster formation in reactor-irradiated copper
journal, December 1989


Story of stacking fault tetrahedra
journal, September 1997


Direct observations of defects in quenched gold
journal, January 1959


Atomistic simulation of stacking fault tetrahedra formation in Cu
journal, December 2000


Formation of stacking-fault tetrahedra in collision cascades
journal, May 1999

  • Nordlund, K.; Gao, F.
  • Applied Physics Letters, Vol. 74, Issue 18
  • DOI: 10.1063/1.123948

Direct Transformation of Vacancy Voids to Stacking Fault Tetrahedra
journal, September 2007


Formation and growth of stacking fault tetrahedra in Ni via vacancy aggregation mechanism
journal, March 2016


Review: Evolution of stacking fault tetrahedra and its role in defect accumulation under cascade damage conditions
journal, July 2004


Dynamic observation of the collapse process of a stacking fault tetrahedron by moving dislocations
journal, August 2004


Mechanisms of stacking fault tetrahedra destruction by gliding dislocations in quenched gold
journal, February 2008


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
  • DOI: 10.1038/ncomms9736

A fracture-resistant high-entropy alloy for cryogenic applications
journal, September 2014


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
  • DOI: 10.1039/C6CP05161H

Mobility and coalescence of stacking fault tetrahedra in Cu
journal, March 2015

  • Martínez, Enrique; Uberuaga, Blas P.
  • Scientific Reports, Vol. 5, Issue 1
  • DOI: 10.1038/srep09084

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
  • DOI: 10.1038/srep19994

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


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
  • DOI: 10.1088/0965-0393/21/8/085004

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
  • DOI: 10.1088/0965-0393/23/6/065006

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


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
  • DOI: 10.1088/0965-0393/18/2/025008

One-dimensional atomic transport by clusters of self-interstitial atoms in iron and copper
journal, January 2003


Mechanism of Radiation Damage Reduction in Equiatomic Multicomponent Single Phase Alloys
journal, April 2016


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
  • DOI: 10.1557/jmr.2016.269

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
  • DOI: 10.1016/j.nimb.2014.07.028

Simultaneous analysis of three-dimensional percolation models
journal, November 2013


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
  • DOI: 10.1088/0965-0393/19/8/085008

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
  • DOI: 10.1063/1.4942533

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
  • DOI: 10.1103/PhysRevB.74.064111

First principles calculations of vacancy–vacancy interactions in nickel: thermal expansion effects
journal, November 2010


Stacking-fault imaging using transmission ion channeling
journal, February 1995


Works referencing / citing this record:

Unique Challenges for Modeling Defect Dynamics in Concentrated Solid-Solution Alloys
journal, July 2017


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
  • DOI: 10.1557/jmr.2018.285

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
  • DOI: 10.1038/s41524-019-0150-y

Atomistic simulation of defect-dislocation interactions in concentrated solid-solution alloys
journal, October 2019


Origin of radiation resistance in multi-principal element alloys
journal, October 2018


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)
  • DOI: 10.6084/m9.figshare.5711458.v1

Delayed damage accumulation by athermal suppression of defect production in concentrated solid solution alloys
journal, December 2017