Molecular dynamics simulation of the effects of swift heavy ion irradiation on multilayer graphene and diamond-like carbon

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http://hdl.handle.net/10138/319459

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Liu , J , Muinos , H V , Nordlund , K & Djurabekova , F 2020 , ' Molecular dynamics simulation of the effects of swift heavy ion irradiation on multilayer graphene and diamond-like carbon ' , Applied Surface Science , vol. 527 , 146495 . https://doi.org/10.1016/j.apsusc.2020.146495

Title: Molecular dynamics simulation of the effects of swift heavy ion irradiation on multilayer graphene and diamond-like carbon
Author: Liu, Jian; Muinos, Henrique Vazquez; Nordlund, Kai; Djurabekova, Flyura
Contributor: University of Helsinki, Department of Physics
University of Helsinki, Department of Physics
University of Helsinki, Department of Physics
University of Helsinki, Department of Physics
Date: 2020-10-15
Language: eng
Number of pages: 9
Belongs to series: Applied Surface Science
ISSN: 0169-4332
URI: http://hdl.handle.net/10138/319459
Abstract: As a promising material used in accelerators and in space in the future, it is important to study the property and structural changes of graphene and diamond-like carbon on the surface as a protective layer before and after swift heavy ion irradiation, although this layer could have a loose structure due to the intrinsic sp(2) surrounding environment of graphene during its deposition period. In this study, by utilizing inelastic thermal spike model and molecular dynamics, we simulated swift heavy ion irradiation and examined the track radius in the vertical direction, as well as temperature, density, and sp(3) fraction distribution along the radius from the irradiation center at different time after irradiation. The temperature in the irradiation center can reach over 11000 K at the beginning of irradiation while there would be a low density and sp(3) fraction area left in the central region after 100 ps. Ring analysis also demonstrated a more chaotic cylindrical region in the center after irradiation. After comprehensive consideration, diamond-like carbon deposited by 70 eV carbon bombardment provided the best protection.
Subject: Multilayer graphene
Diamond-like carbon
Inelastic thermal spike model
Molecular dynamics
CHEMICAL-VAPOR-DEPOSITION
AMORPHOUS-CARBON
FILMS
GRAPHITIZATION
TRANSPARENT
BOMBARDMENT
EMISSION
STRESS
TRACKS
116 Chemical sciences
114 Physical sciences
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