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Effect of Stress on Irradiation Responses of Highly Oriented Pyrolytic Graphite
oleh: Zhihan Hu, Di Chen, SeungSu Kim, Rijul Chauhan, Yongchang Li, Lin Shao
Format: | Article |
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Diterbitkan: | MDPI AG 2022-05-01 |
Deskripsi
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 (<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mover accent="true"><mi>E</mi><mo>¯</mo></mover><mi>d</mi></msub></mrow></semantics></math></inline-formula>) 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, <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mover accent="true"><mi>E</mi><mo>¯</mo></mover><mi>d</mi></msub></mrow></semantics></math></inline-formula> was reduced from 35 eV at 0% strain to 31 eV at 10% strain. The strain-reduced <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mover accent="true"><mi>E</mi><mo>¯</mo></mover><mi>d</mi></msub></mrow></semantics></math></inline-formula> 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 <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mover accent="true"><mi>E</mi><mo>¯</mo></mover><mi>d</mi></msub></mrow></semantics></math></inline-formula> 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.