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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Bibliographic Details
Published in:JETP letters 2019-06, Vol.109 (11), p.710-714
Main Authors: Openov, L. A., Podlivaev, A. I.
Format: Article
Language:English
Subjects:
Allotropy
Atomic
Biological and Medical Physics
Biophysics
Chain scission
Condensed Matter
Graphene
Melt temperature
Melting
Modulus of elasticity
Molecular
Molecular dynamics
Numerical prediction
Optical and Plasma Physics
Particle and Nuclear Physics
Physics
Physics and Astronomy
Poisson's ratio
Quantum Information Technology
Solid State Physics
Spintronics
Stone
Two dimensional analysis
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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.
ISSN:0021-3640
1090-6487
DOI:10.1134/S0021364019110110