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Effect of Stress on Irradiation Responses of Highly Oriented Pyrolytic Graphite

The effect of stress on irradiation responses of highly oriented pyrolytic graphite (HOPG) was studied by combing molecular dynamics (MD) simulation, proton irradiation, and Raman characterization. MD simulations of carbon knock-on at energies < 60 eV were used to obtain average threshold displac...

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Autores principales: Hu, Zhihan, Chen, Di, Kim, SeungSu, Chauhan, Rijul, Li, Yongchang, Shao, Lin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9147753/
https://www.ncbi.nlm.nih.gov/pubmed/35629443
http://dx.doi.org/10.3390/ma15103415
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author Hu, Zhihan
Chen, Di
Kim, SeungSu
Chauhan, Rijul
Li, Yongchang
Shao, Lin
author_facet Hu, Zhihan
Chen, Di
Kim, SeungSu
Chauhan, Rijul
Li, Yongchang
Shao, Lin
author_sort Hu, Zhihan
collection PubMed
description The effect of stress on irradiation responses of highly oriented pyrolytic graphite (HOPG) was studied by combing molecular dynamics (MD) simulation, proton irradiation, and Raman characterization. MD simulations of carbon knock-on at energies < 60 eV were used to obtain average threshold displacement energies ([Formula: see text]) as a function of strain ranging from 0 to 10%. Simulations at a higher irradiation energy of 2–5 keV were used to study the effect of strain on damage cascade evolution. With increasing tensile strain, [Formula: see text] was reduced from 35 eV at 0% strain to 31 eV at 10% strain. The strain-reduced [Formula: see text] led to a higher damage peak and more surviving defects (up to 1 ps). Furthermore, high strains induced local cleavage around the cavities, as one additional mechanism of damage enhancement. Experimentally, HOPG film was folded, and the folded region with the maximum tensile stress was irradiated by a 2 MeV proton beam. Raman characterization showed significantly enhanced D to G modes in comparison to the stress-free irradiation. Based on the strain dependence of [Formula: see text] and the Kinchin–Pease model, a formula for displacement estimation under different tensile strains is proposed. The stress effects need to be considered in graphite applications in a reactor’s harsh environment where both neutron damage and stress are present.
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spelling pubmed-91477532022-05-29 Effect of Stress on Irradiation Responses of Highly Oriented Pyrolytic Graphite Hu, Zhihan Chen, Di Kim, SeungSu Chauhan, Rijul Li, Yongchang Shao, Lin Materials (Basel) Article The effect of stress on irradiation responses of highly oriented pyrolytic graphite (HOPG) was studied by combing molecular dynamics (MD) simulation, proton irradiation, and Raman characterization. MD simulations of carbon knock-on at energies < 60 eV were used to obtain average threshold displacement energies ([Formula: see text]) as a function of strain ranging from 0 to 10%. Simulations at a higher irradiation energy of 2–5 keV were used to study the effect of strain on damage cascade evolution. With increasing tensile strain, [Formula: see text] was reduced from 35 eV at 0% strain to 31 eV at 10% strain. The strain-reduced [Formula: see text] led to a higher damage peak and more surviving defects (up to 1 ps). Furthermore, high strains induced local cleavage around the cavities, as one additional mechanism of damage enhancement. Experimentally, HOPG film was folded, and the folded region with the maximum tensile stress was irradiated by a 2 MeV proton beam. Raman characterization showed significantly enhanced D to G modes in comparison to the stress-free irradiation. Based on the strain dependence of [Formula: see text] and the Kinchin–Pease model, a formula for displacement estimation under different tensile strains is proposed. The stress effects need to be considered in graphite applications in a reactor’s harsh environment where both neutron damage and stress are present. MDPI 2022-05-10 /pmc/articles/PMC9147753/ /pubmed/35629443 http://dx.doi.org/10.3390/ma15103415 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Hu, Zhihan
Chen, Di
Kim, SeungSu
Chauhan, Rijul
Li, Yongchang
Shao, Lin
Effect of Stress on Irradiation Responses of Highly Oriented Pyrolytic Graphite
title Effect of Stress on Irradiation Responses of Highly Oriented Pyrolytic Graphite
title_full Effect of Stress on Irradiation Responses of Highly Oriented Pyrolytic Graphite
title_fullStr Effect of Stress on Irradiation Responses of Highly Oriented Pyrolytic Graphite
title_full_unstemmed Effect of Stress on Irradiation Responses of Highly Oriented Pyrolytic Graphite
title_short Effect of Stress on Irradiation Responses of Highly Oriented Pyrolytic Graphite
title_sort effect of stress on irradiation responses of highly oriented pyrolytic graphite
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9147753/
https://www.ncbi.nlm.nih.gov/pubmed/35629443
http://dx.doi.org/10.3390/ma15103415
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