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

Title: Evolution of small defect clusters in ion-irradiated 3C-SiC: Combined cluster dynamics modeling and experimental study

Abstract

Distribution of black spot defects and small clusters in 1 MeV krypton irradiated 3C-SiC has been investigated using advanced scanning transmission electron microscopy (STEM) and TEM. We find that two thirds of clusters smaller than 1 nm identified in STEM are invisible in TEM images. For clusters that are larger than 1 nm, STEM and TEM results match very well. A cluster dynamics model has been developed for SiC to reveal processes that contribute to evolution of defect clusters and validated against the (S)TEM results. Simulations showed that a model based on established properties of point defects (PDs) generation, reaction, clustering, and cluster dissociation, is unable to predict black spot defects distribution consistent with STEM observations. This failure suggests that additional phenomena not included in a simple point-defect picture may contribute to radiation-induced evolution of defect clusters in SiC and using our model we have determined the effects of a number of these additional phenomena on cluster evolution. Using these additional phenomena it is possible to fit parameters within physically justifiable ranges that yield agreement between cluster distributions predicted by simulations and those measured experimentally.

Authors:
 [1];  [2];  [2];  [1];  [2];  [1];  [3];  [3]
  1. Univ. of Wisconsin, Madison, WI (United States). Dept. of Engineering Physics
  2. Univ. of Wisconsin, Madison, WI (United States). Dept. of Material Science and Engineering
  3. Univ. of Wisconsin, Madison, WI (United States). Dept. of Engineering Physics. Dept. of Material Science and Engineering
Publication Date:
Research Org.:
Univ. of Wisconsin, Madison, WI (United States)
Sponsoring Org.:
USDOE Office of Nuclear Energy (NE)
OSTI Identifier:
1533462
Alternate Identifier(s):
OSTI ID: 1419131
Grant/Contract Number:  
NE0008418
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; silicon carbide; black spot defects; cluster dynamics; STEM; TEM; size distribution

Citation Formats

Liu, C., He, L., Zhai, Y., Tyburska-Püschel, B., Voyles, P. M., Sridharan, K., Morgan, D., and Szlufarska, I. Evolution of small defect clusters in ion-irradiated 3C-SiC: Combined cluster dynamics modeling and experimental study. United States: N. p., 2016. Web. doi:10.1016/j.actamat.2016.12.020.
Liu, C., He, L., Zhai, Y., Tyburska-Püschel, B., Voyles, P. M., Sridharan, K., Morgan, D., & Szlufarska, I. Evolution of small defect clusters in ion-irradiated 3C-SiC: Combined cluster dynamics modeling and experimental study. United States. https://doi.org/10.1016/j.actamat.2016.12.020
Liu, C., He, L., Zhai, Y., Tyburska-Püschel, B., Voyles, P. M., Sridharan, K., Morgan, D., and Szlufarska, I. Mon . "Evolution of small defect clusters in ion-irradiated 3C-SiC: Combined cluster dynamics modeling and experimental study". United States. https://doi.org/10.1016/j.actamat.2016.12.020. https://www.osti.gov/servlets/purl/1533462.
@article{osti_1533462,
title = {Evolution of small defect clusters in ion-irradiated 3C-SiC: Combined cluster dynamics modeling and experimental study},
author = {Liu, C. and He, L. and Zhai, Y. and Tyburska-Püschel, B. and Voyles, P. M. and Sridharan, K. and Morgan, D. and Szlufarska, I.},
abstractNote = {Distribution of black spot defects and small clusters in 1 MeV krypton irradiated 3C-SiC has been investigated using advanced scanning transmission electron microscopy (STEM) and TEM. We find that two thirds of clusters smaller than 1 nm identified in STEM are invisible in TEM images. For clusters that are larger than 1 nm, STEM and TEM results match very well. A cluster dynamics model has been developed for SiC to reveal processes that contribute to evolution of defect clusters and validated against the (S)TEM results. Simulations showed that a model based on established properties of point defects (PDs) generation, reaction, clustering, and cluster dissociation, is unable to predict black spot defects distribution consistent with STEM observations. This failure suggests that additional phenomena not included in a simple point-defect picture may contribute to radiation-induced evolution of defect clusters in SiC and using our model we have determined the effects of a number of these additional phenomena on cluster evolution. Using these additional phenomena it is possible to fit parameters within physically justifiable ranges that yield agreement between cluster distributions predicted by simulations and those measured experimentally.},
doi = {10.1016/j.actamat.2016.12.020},
journal = {Acta Materialia},
number = ,
volume = 125,
place = {United States},
year = {Mon Dec 19 00:00:00 EST 2016},
month = {Mon Dec 19 00:00:00 EST 2016}
}

Journal Article:

Citation Metrics:
Cited by: 45 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

X-ray diffractometry and high-resolution electron microscopy of neutron-irradiated SiC to a fluence of 1.9×1027 n/m2
journal, March 1998


Materials challenges in nuclear energy
journal, February 2013


Handbook of SiC properties for fuel performance modeling
journal, September 2007


Primary defect production by high energy displacement cascades in molybdenum
journal, June 2013


Radiation effects in SiC for nuclear structural applications
journal, June 2012

  • Katoh, Yutai; Snead, Lance L.; Szlufarska, Izabela
  • Current Opinion in Solid State and Materials Science, Vol. 16, Issue 3
  • DOI: 10.1016/j.cossms.2012.03.005

Ab initio based rate theory model of radiation induced amorphization in β-SiC
journal, July 2011


High-energy collision cascades in tungsten: Dislocation loops structure and clustering scaling laws
journal, August 2013


Free defect production efficiency for heavy ion irradiation estimated by loop growth measurements
journal, September 1994


Swelling of SiC at intermediate and high irradiation temperatures
journal, August 2007


Radiation-induced mobility of small defect clusters in covalent materials
journal, July 2016


Modeling spatially dependent kinetics of helium desorption in BCC iron following He ion implantation
journal, August 2010


Measurement of local thickness by electron energy-loss spectroscopy
journal, January 1987


Direct observation of size scaling and elastic interaction between nano-scale defects in collision cascades
journal, May 2015


Primary damage states produced by Si and Au recoils in SiC: A molecular dynamics and experimental investigation
journal, May 2001


Microstructure modelling of ferritic alloys under high flux 1 MeV electron irradiations
journal, April 2002

  • Hardouin Duparc, A.; Moingeon, C.; Smetniansky-de-Grande, N.
  • Journal of Nuclear Materials, Vol. 302, Issue 2-3
  • DOI: 10.1016/S0022-3115(02)00776-6

Effects of grain size and grain boundaries on defect production in nanocrystalline 3C–SiC
journal, May 2010


In situ positron beam Doppler broadening measurement of ion-irradiated metals – Current status and potential
journal, August 2012

  • Iwai, T.; Tsuchida, H.
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 285
  • DOI: 10.1016/j.nimb.2012.05.005

Atomic-scale simulation of 50 keV Si displacement cascades in β-SiC
journal, December 2000


Competing effects of electronic and nuclear energy loss on microstructural evolution in ionic-covalent materials
journal, May 2014

  • Zhang, Y.; Varga, T.; Ishimaru, M.
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 327
  • DOI: 10.1016/j.nimb.2013.10.095

Relative efficiencies of different ions for producing freely migrating defects
journal, September 1984


Accelerated atomistic simulation study on the stability and mobility of carbon tri-interstitial cluster in cubic SiC
journal, June 2014


Atomistic modeling of finite-temperature properties of crystalline β-SiC
journal, June 1998


Radiation interaction with tilt grain boundaries in β-SiC
journal, March 2012

  • Swaminathan, Narasimhan; Wojdyr, Marcin; Morgan, Dane D.
  • Journal of Applied Physics, Vol. 111, Issue 5
  • DOI: 10.1063/1.3693036

Molecular dynamics simulation of displacement cascades in α-Fe: A critical review
journal, June 2006


First principles defect energetics for simulations of silicon carbide under irradiation: Kinetic mechanisms of silicon di-interstitials
journal, May 2014

  • Liao, Ting; Roma, Guido
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 327
  • DOI: 10.1016/j.nimb.2013.09.044

SUNDIALS: Suite of nonlinear and differential/algebraic equation solvers
journal, September 2005

  • Hindmarsh, Alan C.; Brown, Peter N.; Grant, Keith E.
  • ACM Transactions on Mathematical Software, Vol. 31, Issue 3
  • DOI: 10.1145/1089014.1089020

Atomistic and continuums modeling of cluster migration and coagulation in precipitation reactions
journal, July 2012


Composition dependence of formation energy of self-interstitial atom clusters in β-SiC: Molecular dynamics and molecular statics calculations
journal, October 2011


Defect formation in iron by MeV ion beam investigated with a positron beam and electrical resistivity measurement
journal, November 2013

  • Iwai, T.; Murakami, K.; Iwata, T.
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 315
  • DOI: 10.1016/j.nimb.2013.04.078

Ab initio study of the migration of intrinsic defects in 3 C SiC
journal, November 2003


Simulations of weak-beam diffraction contrast images of dislocation loops by the many-beam Howie–Basinski equations
journal, October 2006


Mean field rate theory and object kinetic Monte Carlo: A comparison of kinetic models
journal, December 2008


EELS log-ratio technique for specimen-thickness measurement in the TEM
journal, February 1988

  • Malis, T.; Cheng, S. C.; Egerton, R. F.
  • Journal of Electron Microscopy Technique, Vol. 8, Issue 2
  • DOI: 10.1002/jemt.1060080206

Atomic scale simulation of defect production in irradiated 3C-SiC
journal, September 2001

  • Devanathan, R.; Weber, W. J.; Gao, F.
  • Journal of Applied Physics, Vol. 90, Issue 5
  • DOI: 10.1063/1.1389523

Size distribution of black spot defects and their contribution to swelling in irradiated SiC
journal, August 2016


The efficiency of damage production in silicon carbide
journal, June 2004

  • Weber, W. J.; Gao, F.; Devanathan, R.
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 218
  • DOI: 10.1016/j.nimb.2003.12.006

Stochastic cluster dynamics method for simulations of multispecies irradiation damage accumulation
journal, August 2011


Subcascade formation and defect cluster size scaling in high-energy collision events in metals
journal, July 2016


Radiation-induced precipitation in a ferritic model alloy: An experimental and theoretical study
journal, September 2013


Precipitation kinetics of AlZr and AlSc in aluminum alloys modeled with cluster dynamics
journal, May 2005


Annealing of multivacancy defects in 4 H SiC
journal, December 2006


Primary damage formation in irradiated materials
journal, December 1996


Carbon tri-interstitial defect: A model for the D II center
journal, October 2012


Cluster-dynamics modelling of defects in α-iron under cascade damage conditions
journal, December 2008


Microstructures of beta-silicon carbide after irradiation creep deformation at elevated temperatures
journal, December 2008


Elastic trapping of dislocation loops in cascades in ion-irradiated tungsten foils
journal, August 2014


Influence of cluster mobility on Cu precipitation in α-Fe: A cluster dynamics modeling
journal, May 2010


Ag diffusion in cubic silicon carbide
journal, January 2011


Growth rate of dislocation loop in FeNiCr alloy under Kr+ ion and electron irradiation
journal, September 1992


A proposed method of calculating displacement dose rates
journal, August 1975


Thermal conductivity of neutron-irradiated pyrolytic β-silicon carbide
journal, April 1973


Energy barriers for point-defect reactions in 3 C -SiC
journal, August 2013


Ion-beam induced defects and nanoscale amorphous clusters in silicon carbide
journal, February 2004

  • Weber, W. J.; Gao, F.; Devanathan, R.
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 216
  • DOI: 10.1016/j.nimb.2003.11.016

A swelling model for stoichiometric SiC at temperatures below 1000°C under neutron irradiation
journal, December 1997


Production rate of freely migrating defects for ion irradiation
journal, February 1992


Microstructural development in cubic silicon carbide during irradiation at elevated temperatures
journal, June 2006


Works referencing / citing this record:

Investigations of irradiation effects in crystalline and amorphous SiC
journal, October 2019

  • Cowen, Benjamin J.; El-Genk, Mohamed S.; Hattar, Khalid
  • Journal of Applied Physics, Vol. 126, Issue 13
  • DOI: 10.1063/1.5085216

Atomistic-object kinetic Monte Carlo simulations of irradiation damage in tungsten
journal, May 2019

  • Mason, D. R.; Sand, A. E.; Dudarev, S. L.
  • Modelling and Simulation in Materials Science and Engineering, Vol. 27, Issue 5
  • DOI: 10.1088/1361-651x/ab1a1e

Atomistic-Object Kinetic Monte Carlo simulations of irradiation damage in tungsten
text, January 2019