Investigations of irradiation effects in crystalline and amorphous SiC

Cowen, Benjamin J.; El-Genk, Mohamed S.; Hattar, Khalid; Briggs, Samuel A.

doi:10.1063/1.5085216

Investigations of irradiation effects in crystalline and amorphous SiC

Journal Article · Fri Oct 04 04:00:00 EDT 2019 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.5085216· OSTI ID:1574449

^[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)

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.

View Accepted Manuscript (DOE)

Research Organization:: Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); National Science Foundation (NSF)

Grant/Contract Number:: AC04-94AL85000; NA0003525; AC52-06NA25396; AC07-05ID14517

OSTI ID:: 1574449

Report Number(s):: SAND--2019-12522J; 680418

Journal Information:: Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 13 Vol. 126; ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

References (65)

Fast Parallel Algorithms for Short-Range Molecular Dynamics Plimpton, Steve Journal of Computational Physics, Vol. 117, Issue 1 https://doi.org/10.1006/jcph.1995.1039	journal	March 1995
The Stopping and Range of Ions in Matter Ziegler, James F.; Biersack, Jochen P. Treatise on Heavy-Ion Science https://doi.org/10.1007/978-1-4615-8103-1_3	book	January 1985
Behavior and computer simulation of SiC under irradiation with energetic particles Perlado, J. M. Journal of Nuclear Materials, Vol. 251 https://doi.org/10.1016/S0022-3115(97)00258-4	journal	November 1997
A swelling model for stoichiometric SiC at temperatures below 1000°C under neutron irradiation Huang, Hanchen; Ghoniem, Nasr Journal of Nuclear Materials, Vol. 250, Issue 2-3 https://doi.org/10.1016/S0022-3115(97)00269-9	journal	December 1997
Displacement threshold energies in β-SiC Devanathan, R.; Diaz de la Rubia, T.; Weber, W. J. Journal of Nuclear Materials, Vol. 253, Issue 1-3 https://doi.org/10.1016/S0022-3115(97)00304-8	journal	March 1998
The primary damage state in fcc, bcc and hcp metals as seen in molecular dynamics simulations Bacon, D. J.; Gao, F.; Osetsky, Yu. N. Journal of Nuclear Materials, Vol. 276, Issue 1-3 https://doi.org/10.1016/S0022-3115(99)00165-8	journal	January 2000
Analysis of displacement cascades and threshold displacement energies in β-sic Perlado, J. M.; Malerba, L.; Sánchez-Rubio, A. Journal of Nuclear Materials, Vol. 276, Issue 1-3 https://doi.org/10.1016/S0022-3115(99)00183-X	journal	January 2000
Displacement energy surface in 3C and 6H SiC Devanathan, R.; Weber, W. J. Journal of Nuclear Materials, Vol. 278, Issue 2-3 https://doi.org/10.1016/S0022-3115(99)00266-4	journal	April 2000
Atomic-scale simulation of displacement cascades and amorphization in β-SiC 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 https://doi.org/10.1016/S0168-583X(01)00415-3	journal	June 2001
Empirical potential approach for defect properties in 3C-SiC 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 https://doi.org/10.1016/S0168-583X(02)00600-6	journal	May 2002
First-principles investigation of radiation induced defects in Si and SiC 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 https://doi.org/10.1016/S0168-583X(98)00082-2	journal	May 1998
Computer simulation of a 10 keV Si displacement cascade in SiC 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 https://doi.org/10.1016/S0168-583X(98)00084-6	journal	May 1998
Artificially layered heteropolytypic structures based on SiC polytypes: molecular beam epitaxy, characterization and properties Fissel, A. Physics Reports, Vol. 379, Issue 3-4, p. 149-255 https://doi.org/10.1016/S0370-1573(02)00632-4	journal	May 2003
Effects of grain size and grain boundaries on defect production in nanocrystalline 3C–SiC Swaminathan, N.; Kamenski, Paul J.; Morgan, Dane Acta Materialia, Vol. 58, Issue 8 https://doi.org/10.1016/j.actamat.2010.01.009	journal	May 2010
Evolution of small defect clusters in ion-irradiated 3C-SiC: Combined cluster dynamics modeling and experimental study Liu, C.; He, L.; Zhai, Y. Acta Materialia, Vol. 125 https://doi.org/10.1016/j.actamat.2016.12.020	journal	February 2017
CVR-SiC coating of graphite pebbles for fusion blanket application Yun, Young-Hoon; Park, Yi-Hyun; Ahn, Mu-Young Ceramics International, Vol. 40, Issue 1 https://doi.org/10.1016/j.ceramint.2013.06.082	journal	January 2014
Accelerated atomistic simulation study on the stability and mobility of carbon tri-interstitial cluster in cubic SiC Jiang, H.; Jiang, C.; Morgan, D. Computational Materials Science, Vol. 89 https://doi.org/10.1016/j.commatsci.2014.03.051	journal	June 2014
On force fields for molecular dynamics simulations of crystalline silica Cowen, Benjamin J.; El-Genk, Mohamed S. Computational Materials Science, Vol. 107 https://doi.org/10.1016/j.commatsci.2015.05.018	journal	September 2015
Bond-order reactive force fields for molecular dynamics simulations of crystalline silica Cowen, Benjamin J.; El-Genk, Mohamed S. Computational Materials Science, Vol. 111 https://doi.org/10.1016/j.commatsci.2015.09.042	journal	January 2016
Point defects production and energy thresholds for displacements in crystalline and amorphous SiC Cowen, Benjamin J.; El-Genk, Mohamed S. Computational Materials Science, Vol. 151 https://doi.org/10.1016/j.commatsci.2018.04.063	journal	August 2018
Radiation effects in SiC for nuclear structural applications Katoh, Yutai; Snead, Lance L.; Szlufarska, Izabela Current Opinion in Solid State and Materials Science, Vol. 16, Issue 3 https://doi.org/10.1016/j.cossms.2012.03.005	journal	June 2012
Current status and prospects of SiCf/SiC for fusion structural applications Iveković, Aljaž; Novak, Saša; Dražić, Goran Journal of the European Ceramic Society, Vol. 33, Issue 10 https://doi.org/10.1016/j.jeurceramsoc.2013.02.013	journal	September 2013
Structural materials for Gen-IV nuclear reactors: Challenges and opportunities Murty, K. L.; Charit, I. Journal of Nuclear Materials, Vol. 383, Issue 1-2 https://doi.org/10.1016/j.jnucmat.2008.08.044	journal	December 2008
Thermal effects in 10keV Si PKA cascades in 3C–SiC Farrell, David E.; Bernstein, Noam; Liu, Wing Kam Journal of Nuclear Materials, Vol. 385, Issue 3 https://doi.org/10.1016/j.jnucmat.2009.01.036	journal	April 2009
Continuous SiC fiber, CVI SiC matrix composites for nuclear applications: Properties and irradiation effects Katoh, Yutai; Ozawa, Kazumi; Shih, Chunghao Journal of Nuclear Materials, Vol. 448, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2013.06.040	journal	May 2014
Stability of SiC-matrix microencapsulated fuel constituents at relevant LWR conditions Snead, L. L.; Terrani, K. A.; Katoh, Y. Journal of Nuclear Materials, Vol. 448, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2013.09.056	journal	May 2014
Experimental and ab initio study of enhanced resistance to amorphization of nanocrystalline silicon carbide under electron irradiation Jamison, Laura; Zheng, Ming-Jie; Shannon, Steve Journal of Nuclear Materials, Vol. 445, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2013.11.010	journal	February 2014
Accident tolerant fuels for LWRs: A perspective Zinkle, S. J.; Terrani, K. A.; Gehin, J. C. Journal of Nuclear Materials, Vol. 448, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2013.12.005	journal	May 2014
Transmission electron microscopy investigation of Ag diffusion mechanisms in β-SiC Coward, Robert A.; Winkler, Christopher R.; Hanson, William A. Journal of Nuclear Materials, Vol. 457 https://doi.org/10.1016/j.jnucmat.2014.11.116	journal	February 2015
Superior radiation tolerant materials: Amorphous silicon oxycarbide Nastasi, Michael; Su, Qing; Price, Lloyd Journal of Nuclear Materials, Vol. 461 https://doi.org/10.1016/j.jnucmat.2015.02.039	journal	June 2015
Molecular dynamics modeling of atomic displacement cascades in 3C–SiC: Comparison of interatomic potentials Samolyuk, G. D.; Osetsky, Y. N.; Stoller, R. E. Journal of Nuclear Materials, Vol. 465 https://doi.org/10.1016/j.jnucmat.2015.05.036	journal	October 2015
Characterization of SiC–SiC composites for accident tolerant fuel cladding Deck, C. P.; Jacobsen, G. M.; Sheeder, J. Journal of Nuclear Materials, Vol. 466 https://doi.org/10.1016/j.jnucmat.2015.08.020	journal	November 2015
Distribution of defect clusters in the primary damage of ion irradiated 3C-SiC Liu, C.; Szlufarska, I. Journal of Nuclear Materials, Vol. 509 https://doi.org/10.1016/j.jnucmat.2018.07.010	journal	October 2018
Comparison of threshold displacement energies in β-SiC determined by classical potentials and ab initio calculations Lucas, G.; Pizzagalli, L. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 229, Issue 3-4 https://doi.org/10.1016/j.nimb.2004.12.119	journal	April 2005
Threshold displacement energies in rutile TiO2: A molecular dynamics simulation study 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 https://doi.org/10.1016/j.nimb.2005.04.065	journal	September 2005
Modeling high-energy radiation damage in nuclear and fusion applications Trachenko, K.; Zarkadoula, E.; Todorov, I. T. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 277 https://doi.org/10.1016/j.nimb.2011.12.058	journal	April 2012
On the use of SRIM for computing radiation damage exposure 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 https://doi.org/10.1016/j.nimb.2013.05.008	journal	September 2013
Concurrent in situ ion irradiation transmission electron microscope 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 https://doi.org/10.1016/j.nimb.2014.08.002	journal	November 2014
Hot-Electron-Mediated Ion Diffusion in Semiconductors for Ion-Beam Nanostructuring Lee, Cheng-Wei; Schleife, André Nano Letters, Vol. 19, Issue 6 https://doi.org/10.1021/acs.nanolett.9b01214	journal	April 2019
Using defects to store energy in materials – a computational study Lu, I-Te; Bernardi, Marco Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/s41598-017-01434-8	journal	June 2017
Effects of collision cascade density on radiation defect dynamics in 3C-SiC Bayu Aji, L. B.; Wallace, J. B.; Kucheyev, S. O. Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/srep44703	journal	March 2017
Nanoscale engineering of radiation tolerant silicon carbide Zhang, Yanwen; Ishimaru, Manabu; Varga, Tamas Physical Chemistry Chemical Physics, Vol. 14, Issue 38 https://doi.org/10.1039/c2cp42342a	journal	January 2012
Atomic scale simulation of defect production in irradiated 3C-SiC Devanathan, R.; Weber, W. J.; Gao, F. Journal of Applied Physics, Vol. 90, Issue 5 https://doi.org/10.1063/1.1389523	journal	September 2001
Thermal conductivity of silicon using reverse non-equilibrium molecular dynamics El-Genk, Mohamed S.; Talaat, Khaled; Cowen, Benjamin J. Journal of Applied Physics, Vol. 123, Issue 20 https://doi.org/10.1063/1.5030871	journal	May 2018
Electron-irradiation-induced crystalline to amorphous transition in α-Sic single crystals Inui, H.; Mori, H.; Fujita, H. Philosophical Magazine B, Vol. 61, Issue 1 https://doi.org/10.1080/13642819008208655	journal	January 1990
Electron-irradiation-induced crystalline-to-amorphous transition in β-SiC single crystals Inui, H.; Mori, H.; Suzuki, A. Philosophical Magazine B, Vol. 65, Issue 1 https://doi.org/10.1080/13642819208223042	journal	January 1992
Cascade fragmentation: deviation from power law in primary radiation damage Sand, A. E.; Mason, D. R.; De Backer, A. Materials Research Letters, Vol. 5, Issue 5 https://doi.org/10.1080/21663831.2017.1294117	journal	February 2017
Virtual diffraction analysis of Ni [0 1 0] symmetric tilt grain boundaries Coleman, S. P.; Spearot, D. E.; Capolungo, L. Modelling and Simulation in Materials Science and Engineering, Vol. 21, Issue 5 https://doi.org/10.1088/0965-0393/21/5/055020	journal	June 2013
Estimates of point defect production in α -quartz using molecular dynamics simulations Cowen, Benjamin J.; El-Genk, Mohamed S. Modelling and Simulation in Materials Science and Engineering, Vol. 25, Issue 5 https://doi.org/10.1088/1361-651X/aa6f4f	journal	May 2017
Directional dependence of the threshold displacement energies in metal oxides Cowen, Benjamin J.; El-Genk, Mohamed S. Modelling and Simulation in Materials Science and Engineering, Vol. 25, Issue 8 https://doi.org/10.1088/1361-651X/aa9193	journal	November 2017
Electronic structure approach for complex silicas Demkov, Alexander A.; Ortega, José; Sankey, Otto F. Physical Review B, Vol. 52, Issue 3 https://doi.org/10.1103/PhysRevB.52.1618	journal	July 1995
Atomic-scale simulation of 50 keV Si displacement cascades in β-SiC Gao, F.; Weber, W. J. Physical Review B, Vol. 63, Issue 5 https://doi.org/10.1103/PhysRevB.63.054101	journal	December 2000
Primary damage states produced by Si and Au recoils in SiC: A molecular dynamics and experimental investigation Gao, F.; Weber, W. J.; Jiang, W. Physical Review B, Vol. 63, Issue 21 https://doi.org/10.1103/PhysRevB.63.214106	journal	May 2001
Ab initio and empirical-potential studies of defect properties in 3 C − SiC Gao, Fei; Bylaska, Eric J.; Weber, William J. Physical Review B, Vol. 64, Issue 24 https://doi.org/10.1103/PhysRevB.64.245208	journal	December 2001
Basic mechanisms of atomic displacement production in cubic silicon carbide: A molecular dynamics study Malerba, L.; Perlado, J. M. Physical Review B, Vol. 65, Issue 4 https://doi.org/10.1103/PhysRevB.65.045202	journal	January 2002
Dynamical simulations of radiation damage and defect mobility in MgO Uberuaga, B. P.; Smith, R.; Cleave, A. R. Physical Review B, Vol. 71, Issue 10 https://doi.org/10.1103/PhysRevB.71.104102	journal	March 2005
Annealing of multivacancy defects in 4 H − SiC Carlos, W. E.; Garces, N. Y.; Glaser, E. R. Physical Review B, Vol. 74, Issue 23 https://doi.org/10.1103/PhysRevB.74.235201	journal	December 2006
Response of nanocrystalline 3 C silicon carbide to heavy-ion irradiation Jiang, W.; Wang, H.; Kim, I. Physical Review B, Vol. 80, Issue 16 https://doi.org/10.1103/PhysRevB.80.161301	journal	October 2009
Amorphization of nanocrystalline 3C-SiC irradiated with Si ⁺ ions Jiang, W.; Wang, H.; Kim, I. Journal of Materials Research, Vol. 25, Issue 12 https://doi.org/10.1557/jmr.2010.0311	journal	December 2010
Temperature and irradiation species dependence of radiation response of nanocrystalline silicon carbide Jamison, Laura; Sridharan, Kumar; Shannon, Steve Journal of Materials Research, Vol. 29, Issue 23 https://doi.org/10.1557/jmr.2014.340	journal	December 2014
Accelerated atomistic simulation study on the stability and mobility of carbon tri-interstitial cluster in cubic SiC Jiang, Hao; Jiang, Chao; Morgan, Dane arXiv https://doi.org/10.48550/arxiv.1608.01366	text	January 2016
Evolution of small defect clusters in ion-irradiated 3C-SiC: combined cluster dynamics modeling and experimental study Liu, C.; He, L.; Zhai, Y. arXiv https://doi.org/10.48550/arxiv.1701.01463	text	January 2017
Distribution of defect clusters in the primary damage of ion irradiated 3C-SiC Liu, C.; Szlufarska, I. arXiv https://doi.org/10.48550/arxiv.1807.03382	text	January 2018
Cascade fragmentation: deviation from power law in primary radiation damage Sand, A. E.; Mason, D. R.; Backer, A. De Taylor & Francis https://doi.org/10.6084/m9.figshare.5113900	text	January 2017
Cascade fragmentation: deviation from power law in primary radiation damage Sand, A. E.; Mason, D. R.; Backer, A. De Taylor & Francis https://doi.org/10.6084/m9.figshare.5113900.v1	text	January 2017

Similar Records

Primary Damage States Produced by Si and Au Recoils in SiC: A Molecular Dynamics and Experimental Investigation

Journal Article · Sun Dec 31 23:00:00 EST 2000 · Physical Review. B, Condensed Matter · OSTI ID:15001888

Computer simulation of disordering and amorphization by Si and Au recoils in 3C--SiC

Journal Article · Sun Apr 15 00:00:00 EDT 2001 · Journal of Applied Physics · OSTI ID:40204939

Distribution of defect clusters in the primary damage of ion irradiated 3C-SiC

Journal Article · Sat Jul 07 00:00:00 EDT 2018 · Journal of Nuclear Materials · OSTI ID:1609993

Related Subjects

3C-SiC
42 ENGINEERING
Defects Production
In situ TEM
Ion Irradiation
MD simulations
a-SiC

Investigations of irradiation effects in crystalline and amorphous SiC

Citation Formats

References (65)

Similar Records

Related Subjects