Investigations of irradiation effects in crystalline and amorphous SiC
Abstract
The results of irradiation on 3C-silicon carbide (SiC) and amorphous SiC (a-SiC) are explored using both in situ transmission electron microscopy (TEM) and complementary molecular dynamics (MD) simulations. The single ion strikes identified in the in situ TEM irradiation experiments, utilizing a 1.7 MeV Au3+ ion beam with nanosecond resolution, are contrasted to MD simulation results of the defect cascades produced by 10–100 keV Si primary knock-on atoms (PKAs). The MD simulations also investigated defect structures that could possibly be responsible for the observed strain fields produced by single ion strikes in the TEM ion beam irradiation experiments. Both MD simulations and in situ TEM experiments show evidence of radiation damage in 3C-SiC but none in a-SiC. Selected area electron diffraction patterns, due to the results of MD simulations and in situ TEM irradiation experiments, show no evidence of structural changes in either 3C-SiC or a-SiC.
- Authors:
-
[1];
[2];
[3];
[4]
- Univ. of New Mexico, Albuquerque, NM (United States); Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Univ. of New Mexico, Albuquerque, NM (United States)
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Oregon State Univ., Corvallis, OR (United States)
- Publication Date:
- Research Org.:
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA); National Science Foundation (NSF)
- OSTI Identifier:
- 1574449
- Report Number(s):
- SAND-2019-12522J
Journal ID: ISSN 0021-8979; 680418; TRN: US2001230
- Grant/Contract Number:
- AC04-94AL85000; NA-0003525; AC52-06NA25396; AC07-05ID14517
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Applied Physics
- Additional Journal Information:
- Journal Volume: 126; Journal Issue: 13; Journal ID: ISSN 0021-8979
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 42 ENGINEERING; MD simulations; 3C-SiC; a-SiC; Defects Production; In situ TEM; Ion Irradiation
Citation Formats
Cowen, Benjamin J., El-Genk, Mohamed S., Hattar, Khalid, and Briggs, Samuel A. Investigations of irradiation effects in crystalline and amorphous SiC. United States: N. p., 2019.
Web. doi:10.1063/1.5085216.
Cowen, Benjamin J., El-Genk, Mohamed S., Hattar, Khalid, & Briggs, Samuel A. Investigations of irradiation effects in crystalline and amorphous SiC. United States. doi:10.1063/1.5085216.
Cowen, Benjamin J., El-Genk, Mohamed S., Hattar, Khalid, and Briggs, Samuel A. Fri .
"Investigations of irradiation effects in crystalline and amorphous SiC". United States. doi:10.1063/1.5085216. https://www.osti.gov/servlets/purl/1574449.
@article{osti_1574449,
title = {Investigations of irradiation effects in crystalline and amorphous SiC},
author = {Cowen, Benjamin J. and El-Genk, Mohamed S. and Hattar, Khalid and Briggs, Samuel A.},
abstractNote = {The results of irradiation on 3C-silicon carbide (SiC) and amorphous SiC (a-SiC) are explored using both in situ transmission electron microscopy (TEM) and complementary molecular dynamics (MD) simulations. The single ion strikes identified in the in situ TEM irradiation experiments, utilizing a 1.7 MeV Au3+ ion beam with nanosecond resolution, are contrasted to MD simulation results of the defect cascades produced by 10–100 keV Si primary knock-on atoms (PKAs). The MD simulations also investigated defect structures that could possibly be responsible for the observed strain fields produced by single ion strikes in the TEM ion beam irradiation experiments. Both MD simulations and in situ TEM experiments show evidence of radiation damage in 3C-SiC but none in a-SiC. Selected area electron diffraction patterns, due to the results of MD simulations and in situ TEM irradiation experiments, show no evidence of structural changes in either 3C-SiC or a-SiC.},
doi = {10.1063/1.5085216},
journal = {Journal of Applied Physics},
number = 13,
volume = 126,
place = {United States},
year = {2019},
month = {10}
}
Other availability
Search WorldCat to find libraries that may hold this journal
Cited by: 1 work
Citation information provided by
Web of Science
Web of Science
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Electron-irradiation-induced crystalline-to-amorphous transition in β-SiC single crystals
journal, January 1992
- Inui, H.; Mori, H.; Suzuki, A.
- Philosophical Magazine B, Vol. 65, Issue 1
Hot-Electron-Mediated Ion Diffusion in Semiconductors for Ion-Beam Nanostructuring
journal, April 2019
- Lee, Cheng-Wei; Schleife, André
- Nano Letters, Vol. 19, Issue 6
Dynamical simulations of radiation damage and defect mobility in MgO
journal, March 2005
- Uberuaga, B. P.; Smith, R.; Cleave, A. R.
- Physical Review B, Vol. 71, Issue 10
Virtual diffraction analysis of Ni [0 1 0] symmetric tilt grain boundaries
journal, June 2013
- Coleman, S. P.; Spearot, D. E.; Capolungo, L.
- Modelling and Simulation in Materials Science and Engineering, Vol. 21, Issue 5
Thermal effects in 10keV Si PKA cascades in 3C–SiC
journal, April 2009
- Farrell, David E.; Bernstein, Noam; Liu, Wing Kam
- Journal of Nuclear Materials, Vol. 385, Issue 3
Modeling high-energy radiation damage in nuclear and fusion applications
journal, April 2012
- Trachenko, K.; Zarkadoula, E.; Todorov, I. T.
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 277
Molecular dynamics modeling of atomic displacement cascades in 3C–SiC: Comparison of interatomic potentials
journal, October 2015
- Samolyuk, G. D.; Osetsky, Y. N.; Stoller, R. E.
- Journal of Nuclear Materials, Vol. 465
Bond-order reactive force fields for molecular dynamics simulations of crystalline silica
journal, January 2016
- Cowen, Benjamin J.; El-Genk, Mohamed S.
- Computational Materials Science, Vol. 111
Comparison of threshold displacement energies in β-SiC determined by classical potentials and ab initio calculations
journal, April 2005
- Lucas, G.; Pizzagalli, L.
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 229, Issue 3-4
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
Behavior and computer simulation of SiC under irradiation with energetic particles
journal, November 1997
- Perlado, J. M.
- Journal of Nuclear Materials, Vol. 251
Artificially layered heteropolytypic structures based on SiC polytypes: molecular beam epitaxy, characterization and properties
journal, May 2003
- Fissel, A.
- Physics Reports, Vol. 379, Issue 3-4, p. 149-255
Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995
- Plimpton, Steve
- Journal of Computational Physics, Vol. 117, Issue 1
Point defects production and energy thresholds for displacements in crystalline and amorphous SiC
journal, August 2018
- Cowen, Benjamin J.; El-Genk, Mohamed S.
- Computational Materials Science, Vol. 151
Experimental and ab initio study of enhanced resistance to amorphization of nanocrystalline silicon carbide under electron irradiation
journal, February 2014
- Jamison, Laura; Zheng, Ming-Jie; Shannon, Steve
- Journal of Nuclear Materials, Vol. 445, Issue 1-3
Computer simulation of a 10 keV Si displacement cascade in SiC
journal, May 1998
- Devanathan, R.; Weber, W. J.; Diaz de la Rubia, T.
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 141, Issue 1-4
Primary damage states produced by Si and Au recoils in SiC: A molecular dynamics and experimental investigation
journal, May 2001
- Gao, F.; Weber, W. J.; Jiang, W.
- Physical Review B, Vol. 63, Issue 21
Ab initio and empirical-potential studies of defect properties in
journal, December 2001
- Gao, Fei; Bylaska, Eric J.; Weber, William J.
- Physical Review B, Vol. 64, Issue 24
Distribution of defect clusters in the primary damage of ion irradiated 3C-SiC
journal, October 2018
- Liu, C.; Szlufarska, I.
- Journal of Nuclear Materials, Vol. 509
Response of nanocrystalline silicon carbide to heavy-ion irradiation
journal, October 2009
- Jiang, W.; Wang, H.; Kim, I.
- Physical Review B, Vol. 80, Issue 16
Effects of grain size and grain boundaries on defect production in nanocrystalline 3C–SiC
journal, May 2010
- Swaminathan, N.; Kamenski, Paul J.; Morgan, Dane
- Acta Materialia, Vol. 58, Issue 8
Atomic-scale simulation of 50 keV Si displacement cascades in β-SiC
journal, December 2000
- Gao, F.; Weber, W. J.
- Physical Review B, Vol. 63, Issue 5
Continuous SiC fiber, CVI SiC matrix composites for nuclear applications: Properties and irradiation effects
journal, May 2014
- Katoh, Yutai; Ozawa, Kazumi; Shih, Chunghao
- Journal of Nuclear Materials, Vol. 448, Issue 1-3
First-principles investigation of radiation induced defects in Si and SiC
journal, May 1998
- Windl, Wolfgang; Lenosky, Thomas J.; Kress, Joel D.
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 141, Issue 1-4
Analysis of displacement cascades and threshold displacement energies in β-sic
journal, January 2000
- Perlado, J. M.; Malerba, L.; Sánchez-Rubio, A.
- Journal of Nuclear Materials, Vol. 276, Issue 1-3
Current status and prospects of SiCf/SiC for fusion structural applications
journal, September 2013
- Iveković, Aljaž; Novak, Saša; Dražić, Goran
- Journal of the European Ceramic Society, Vol. 33, Issue 10
Accelerated atomistic simulation study on the stability and mobility of carbon tri-interstitial cluster in cubic SiC
journal, June 2014
- Jiang, H.; Jiang, C.; Morgan, D.
- Computational Materials Science, Vol. 89
Temperature and irradiation species dependence of radiation response of nanocrystalline silicon carbide
journal, December 2014
- Jamison, Laura; Sridharan, Kumar; Shannon, Steve
- Journal of Materials Research, Vol. 29, Issue 23
Cascade fragmentation: deviation from power law in primary radiation damage
journal, February 2017
- Sand, A. E.; Mason, D. R.; De Backer, A.
- Materials Research Letters, Vol. 5, Issue 5
Empirical potential approach for defect properties in 3C-SiC
journal, May 2002
- Gao, Fei; Weber, William J.
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 191, Issue 1-4
Displacement energy surface in 3C and 6H SiC
journal, April 2000
- Devanathan, R.; Weber, W. J.
- Journal of Nuclear Materials, Vol. 278, Issue 2-3
Basic mechanisms of atomic displacement production in cubic silicon carbide: A molecular dynamics study
journal, January 2002
- Malerba, L.; Perlado, J. M.
- Physical Review B, Vol. 65, Issue 4
Nanoscale engineering of radiation tolerant silicon carbide
journal, January 2012
- Zhang, Yanwen; Ishimaru, Manabu; Varga, Tamas
- Physical Chemistry Chemical Physics, Vol. 14, Issue 38
Accident tolerant fuels for LWRs: A perspective
journal, May 2014
- Zinkle, S. J.; Terrani, K. A.; Gehin, J. C.
- Journal of Nuclear Materials, Vol. 448, Issue 1-3
Structural materials for Gen-IV nuclear reactors: Challenges and opportunities
journal, December 2008
- Murty, K. L.; Charit, I.
- Journal of Nuclear Materials, Vol. 383, Issue 1-2
Characterization of SiC–SiC composites for accident tolerant fuel cladding
journal, November 2015
- Deck, C. P.; Jacobsen, G. M.; Sheeder, J.
- Journal of Nuclear Materials, Vol. 466
Estimates of point defect production in α -quartz using molecular dynamics simulations
journal, May 2017
- Cowen, Benjamin J.; El-Genk, Mohamed S.
- Modelling and Simulation in Materials Science and Engineering, Vol. 25, Issue 5
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
Using defects to store energy in materials – a computational study
journal, June 2017
- Lu, I-Te; Bernardi, Marco
- Scientific Reports, Vol. 7, Issue 1
The primary damage state in fcc, bcc and hcp metals as seen in molecular dynamics simulations
journal, January 2000
- Bacon, D. J.; Gao, F.; Osetsky, Yu. N.
- Journal of Nuclear Materials, Vol. 276, Issue 1-3
Superior radiation tolerant materials: Amorphous silicon oxycarbide
journal, June 2015
- Nastasi, Michael; Su, Qing; Price, Lloyd
- Journal of Nuclear Materials, Vol. 461
Thermal conductivity of silicon using reverse non-equilibrium molecular dynamics
journal, May 2018
- El-Genk, Mohamed S.; Talaat, Khaled; Cowen, Benjamin J.
- Journal of Applied Physics, Vol. 123, Issue 20
Transmission electron microscopy investigation of Ag diffusion mechanisms in β-SiC
journal, February 2015
- Coward, Robert A.; Winkler, Christopher R.; Hanson, William A.
- Journal of Nuclear Materials, Vol. 457
CVR-SiC coating of graphite pebbles for fusion blanket application
journal, January 2014
- Yun, Young-Hoon; Park, Yi-Hyun; Ahn, Mu-Young
- Ceramics International, Vol. 40, Issue 1
On force fields for molecular dynamics simulations of crystalline silica
journal, September 2015
- Cowen, Benjamin J.; El-Genk, Mohamed S.
- Computational Materials Science, Vol. 107
Evolution of small defect clusters in ion-irradiated 3C-SiC: Combined cluster dynamics modeling and experimental study
journal, February 2017
- Liu, C.; He, L.; Zhai, Y.
- Acta Materialia, Vol. 125
Electronic structure approach for complex silicas
journal, July 1995
- Demkov, Alexander A.; Ortega, José; Sankey, Otto F.
- Physical Review B, Vol. 52, Issue 3
Directional dependence of the threshold displacement energies in metal oxides
journal, November 2017
- Cowen, Benjamin J.; El-Genk, Mohamed S.
- Modelling and Simulation in Materials Science and Engineering, Vol. 25, Issue 8
Electron-irradiation-induced crystalline to amorphous transition in α-Sic single crystals
journal, January 1990
- Inui, H.; Mori, H.; Fujita, H.
- Philosophical Magazine B, Vol. 61, Issue 1
Annealing of multivacancy defects in
journal, December 2006
- Carlos, W. E.; Garces, N. Y.; Glaser, E. R.
- Physical Review B, Vol. 74, Issue 23
Effects of collision cascade density on radiation defect dynamics in 3C-SiC
journal, March 2017
- Bayu Aji, L. B.; Wallace, J. B.; Kucheyev, S. O.
- Scientific Reports, Vol. 7, Issue 1
Concurrent in situ ion irradiation transmission electron microscope
journal, November 2014
- Hattar, K.; Bufford, D. C.; Buller, D. L.
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 338
On the use of SRIM for computing radiation damage exposure
journal, September 2013
- Stoller, R. E.; Toloczko, M. B.; Was, G. S.
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 310
Threshold displacement energies in rutile TiO2: A molecular dynamics simulation study
journal, September 2005
- Thomas, B. S.; Marks, N. A.; Corrales, L. R.
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 239, Issue 3
Amorphization of nanocrystalline 3C-SiC irradiated with Si + ions
journal, December 2010
- Jiang, W.; Wang, H.; Kim, I.
- Journal of Materials Research, Vol. 25, Issue 12
Stability of SiC-matrix microencapsulated fuel constituents at relevant LWR conditions
journal, May 2014
- Snead, L. L.; Terrani, K. A.; Katoh, Y.
- Journal of Nuclear Materials, Vol. 448, Issue 1-3
Displacement threshold energies in β-SiC
journal, March 1998
- Devanathan, R.; Diaz de la Rubia, T.; Weber, W. J.
- Journal of Nuclear Materials, Vol. 253, Issue 1-3
Atomic-scale simulation of displacement cascades and amorphization in β-SiC
journal, June 2001
- Gao, F.; Weber, W. J.; Devanathan, R.
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 180, Issue 1-4
A swelling model for stoichiometric SiC at temperatures below 1000°C under neutron irradiation
journal, December 1997
- Huang, Hanchen; Ghoniem, Nasr
- Journal of Nuclear Materials, Vol. 250, Issue 2-3