Electronic stopping in molecular dynamics simulations of cascades in 3C–SiC

Eva Zarkadoula; German Samolyuk; Yanwen Zhang; William J. Weber

doi:10.1016/j.jnucmat.2020.152371

Electronic stopping in molecular dynamics simulations of cascades in 3C–SiC

Eva Zarkadoula, German Samolyuk, Yanwen Zhang, William J. Weber

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29 Scopus citations

Abstract

We investigate the effect of the electronic stopping power on defect production due to ion irradiation of cubic silicon carbide using molecular dynamics simulations. We simulate 20 keV and 30 keV Si and C ions, with and without the electronic energy loss. The results show that the electronic stopping effects are more profound in the case of C irradiation, where the ratio of the electronic energy loss S_e to the nuclear energy loss S_n is much larger compared to the ratio for Si ions. These findings indicate that this ratio plays a role in the effect of the electronic stopping on ion irradiation.

Original language	English
Article number	152371
Journal	Journal of Nuclear Materials
Volume	540
DOIs	https://doi.org/10.1016/j.jnucmat.2020.152371
State	Published - Nov 2020

Funding

This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan ( http://energy.gov/downloads/doe-public-access-plan ). EZ, YZ and WJW were supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. GDS was supported by the U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences, under Contract No. DE-AC05-00OR22725 with UT-Battelle LLC. This research used resources of the National Energy Research Scientific Computing Center, supported by the Office of Science, US Department of Energy under Contract No.DEAC02-05CH11231. EZ, YZ and WJW were supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division . GDS was supported by the U.S. Department of Energy , Office of Science , Office of Fusion Energy Sciences , under Contract No. DE-AC05-00OR22725 with UT-Battelle LLC. This research used resources of the National Energy Research Scientific Computing Center , supported by the Office of Science , US Department of Energy under Contract No. DEAC02-05CH11231 .

Funders	Funder number
US Department of Energy
UT-Battelle LLC
U.S. Department of Energy	DEAC02-05CH11231
Office of Science
Basic Energy Sciences
Fusion Energy Sciences	DE-AC05-00OR22725
Division of Materials Sciences and Engineering
UT-Battelle

Keywords

Electronic effects
Electronic stopping
Molecular dynamics
Radiation damage
Silicon carbide

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10.1016/j.jnucmat.2020.152371

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title = "Electronic stopping in molecular dynamics simulations of cascades in 3C–SiC",

abstract = "We investigate the effect of the electronic stopping power on defect production due to ion irradiation of cubic silicon carbide using molecular dynamics simulations. We simulate 20 keV and 30 keV Si and C ions, with and without the electronic energy loss. The results show that the electronic stopping effects are more profound in the case of C irradiation, where the ratio of the electronic energy loss Se to the nuclear energy loss Sn is much larger compared to the ratio for Si ions. These findings indicate that this ratio plays a role in the effect of the electronic stopping on ion irradiation.",

keywords = "Electronic effects, Electronic stopping, Molecular dynamics, Radiation damage, Silicon carbide",

author = "Eva Zarkadoula and German Samolyuk and Yanwen Zhang and Weber, {William J.}",

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AU - Zarkadoula, Eva

AU - Samolyuk, German

AU - Zhang, Yanwen

AU - Weber, William J.

PY - 2020/11

Y1 - 2020/11

N2 - We investigate the effect of the electronic stopping power on defect production due to ion irradiation of cubic silicon carbide using molecular dynamics simulations. We simulate 20 keV and 30 keV Si and C ions, with and without the electronic energy loss. The results show that the electronic stopping effects are more profound in the case of C irradiation, where the ratio of the electronic energy loss Se to the nuclear energy loss Sn is much larger compared to the ratio for Si ions. These findings indicate that this ratio plays a role in the effect of the electronic stopping on ion irradiation.

AB - We investigate the effect of the electronic stopping power on defect production due to ion irradiation of cubic silicon carbide using molecular dynamics simulations. We simulate 20 keV and 30 keV Si and C ions, with and without the electronic energy loss. The results show that the electronic stopping effects are more profound in the case of C irradiation, where the ratio of the electronic energy loss Se to the nuclear energy loss Sn is much larger compared to the ratio for Si ions. These findings indicate that this ratio plays a role in the effect of the electronic stopping on ion irradiation.

KW - Electronic effects

KW - Electronic stopping

KW - Molecular dynamics

KW - Radiation damage

KW - Silicon carbide

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Electronic stopping in molecular dynamics simulations of cascades in 3C–SiC

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