Open AccessBending vibrations of free and microdroplet-loaded graphene in the framework of the molecular dynamics method
Author(s) -
A. Kh. Khokonov,
Z. A. Akhmatov
Publication year - 2020
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1556/1/012053
Subject(s) - graphene , vibration , materials science , bending , membrane , molecular dynamics , transverse plane , drop (telecommunication) , bending stiffness , tension (geology) , stiffness , amplitude , flexural rigidity , molecular vibration , nanotechnology , chemical physics , molecular physics , raman spectroscopy , composite material , chemistry , physics , optics , computational chemistry , structural engineering , compression (physics) , acoustics , telecommunications , biochemistry , computer science , engineering
Molecular dynamic (MD) modeling revealed that takes place swing up of transverse vibrations of graphene atoms with their transition to bending vibrations of membrane type. The amplitudes of such oscillations can reach large values, which considerably exceed the interatomic distances already for samples of micron sizes and amount to 10 −2 from the length of the sample. The results of MD simulation were compared with the characteristic vibrational frequencies of graphene in the approximation of the tensioned membrane. The behavior of the graphene membrane during it loading with a liquid metal microdroplet has been considered also. Contact angles and relative stretching of the membrane outside and under the drop allow us to calculate the surface tension of the drop.