Thermal effects in 10 keV Si PKA cascades in 3C-SiC

David E. Farrell; Noam Bernstein; Wing Kam Liu

doi:10.1016/j.jnucmat.2009.01.036

Thermal effects in 10 keV Si PKA cascades in 3C-SiC

David E. Farrell, Noam Bernstein, Wing Kam Liu^*

^*Corresponding author for this work

Mechanical Engineering

Research output: Contribution to journal › Article › peer-review

49 Scopus citations

Abstract

We present a molecular dynamics study of the influence of temperature on defect generation and evolution in irradiated cubic silicon carbide. We simulated 10 keV displacement cascades, with an emphasis on the quantification of the spatial distribution of defects, at six different temperatures from 0 K to 2000 K under identical primary knock-on atom conditions. By post-processing the simulation results we analyzed the temporal evolution of vacancies, interstitials, and antisite defects, the spatial distribution of vacancies, and the distribution of vacancy cluster sizes. The majority of vacancies were found to be isolated at all temperatures. We found evidence of temperature dependence in C and Si replacements and C_Si antisite formation, as well as reduced damage generation behavior due to enhanced defect relaxation at 2000 K.

Original language	English (US)
Pages (from-to)	572-581
Number of pages	10
Journal	Journal of Nuclear Materials
Volume	385
Issue number	3
DOIs	https://doi.org/10.1016/j.jnucmat.2009.01.036
State	Published - Apr 15 2009

Funding

The support of Wing Kam Liu and David Farrell by the National Science Foundation (NSF), the NSF-IGERT and NSF-Naval Civilian Services Grants and Northwestern University, and the support of Noam Bernstein by the Office of Naval Research, the Naval Research Laboratory, are gratefully acknowledged. The authors would also like to acknowledge the Department of Defense High Performance Computing Modernization Program and the Army Research Laboratory Major Shared Resource Center for the HPC systems used in the course of this work.

ASJC Scopus subject areas

Nuclear and High Energy Physics
General Materials Science
Nuclear Energy and Engineering

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title = "Thermal effects in 10 keV Si PKA cascades in 3C-SiC",

abstract = "We present a molecular dynamics study of the influence of temperature on defect generation and evolution in irradiated cubic silicon carbide. We simulated 10 keV displacement cascades, with an emphasis on the quantification of the spatial distribution of defects, at six different temperatures from 0 K to 2000 K under identical primary knock-on atom conditions. By post-processing the simulation results we analyzed the temporal evolution of vacancies, interstitials, and antisite defects, the spatial distribution of vacancies, and the distribution of vacancy cluster sizes. The majority of vacancies were found to be isolated at all temperatures. We found evidence of temperature dependence in C and Si replacements and CSi antisite formation, as well as reduced damage generation behavior due to enhanced defect relaxation at 2000 K.",

author = "Farrell, {David E.} and Noam Bernstein and Liu, {Wing Kam}",

note = "Funding Information: The support of Wing Kam Liu and David Farrell by the National Science Foundation (NSF), the NSF-IGERT and NSF-Naval Civilian Services Grants and Northwestern University, and the support of Noam Bernstein by the Office of Naval Research, the Naval Research Laboratory, are gratefully acknowledged. The authors would also like to acknowledge the Department of Defense High Performance Computing Modernization Program and the Army Research Laboratory Major Shared Resource Center for the HPC systems used in the course of this work.",

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AU - Farrell, David E.

AU - Bernstein, Noam

AU - Liu, Wing Kam

N1 - Funding Information: The support of Wing Kam Liu and David Farrell by the National Science Foundation (NSF), the NSF-IGERT and NSF-Naval Civilian Services Grants and Northwestern University, and the support of Noam Bernstein by the Office of Naval Research, the Naval Research Laboratory, are gratefully acknowledged. The authors would also like to acknowledge the Department of Defense High Performance Computing Modernization Program and the Army Research Laboratory Major Shared Resource Center for the HPC systems used in the course of this work.

PY - 2009/4/15

Y1 - 2009/4/15

N2 - We present a molecular dynamics study of the influence of temperature on defect generation and evolution in irradiated cubic silicon carbide. We simulated 10 keV displacement cascades, with an emphasis on the quantification of the spatial distribution of defects, at six different temperatures from 0 K to 2000 K under identical primary knock-on atom conditions. By post-processing the simulation results we analyzed the temporal evolution of vacancies, interstitials, and antisite defects, the spatial distribution of vacancies, and the distribution of vacancy cluster sizes. The majority of vacancies were found to be isolated at all temperatures. We found evidence of temperature dependence in C and Si replacements and CSi antisite formation, as well as reduced damage generation behavior due to enhanced defect relaxation at 2000 K.

AB - We present a molecular dynamics study of the influence of temperature on defect generation and evolution in irradiated cubic silicon carbide. We simulated 10 keV displacement cascades, with an emphasis on the quantification of the spatial distribution of defects, at six different temperatures from 0 K to 2000 K under identical primary knock-on atom conditions. By post-processing the simulation results we analyzed the temporal evolution of vacancies, interstitials, and antisite defects, the spatial distribution of vacancies, and the distribution of vacancy cluster sizes. The majority of vacancies were found to be isolated at all temperatures. We found evidence of temperature dependence in C and Si replacements and CSi antisite formation, as well as reduced damage generation behavior due to enhanced defect relaxation at 2000 K.

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JO - Journal of Nuclear Materials

JF - Journal of Nuclear Materials

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ER -

Thermal effects in 10 keV Si PKA cascades in 3C-SiC

Abstract

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ASJC Scopus subject areas

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