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Disordering in Stone—Wales Graphene at High Temperatures
Thermally activated structural disordering is numerically studied in Stone—Wales graphene, which is a recently predicted new allotropic modification of graphene. The elastic characteristics of this material are analyzed. The Young modulus ( E= 857 GPa) and Poisson ratio (ν = 0.39) are determined. De...
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Published in: | JETP letters 2019-06, Vol.109 (11), p.710-714 |
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Main Authors: | , |
Format: | Article |
Language: | English |
Subjects: | |
Citations: | Items that this one cites Items that cite this one |
Online Access: | Get full text |
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Summary: | Thermally activated structural disordering is numerically studied in Stone—Wales graphene, which is a recently predicted new allotropic modification of graphene. The elastic characteristics of this material are analyzed. The Young modulus (
E=
857 GPa) and Poisson ratio (ν = 0.39) are determined. Defect formation processes under strong heating are studied by the real-time molecular dynamics method. It is demonstrated that melting begins with the formation of large windows in the monolayer and splitting of transversely oriented carbon chains from it. A criterion for the melting of two-dimensional systems is used to analyze the results. The upper estimate for the melting temperature is about 3800 K, which is much lower than the corresponding value for graphene. |
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ISSN: | 0021-3640 1090-6487 |
DOI: | 10.1134/S0021364019110110 |