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UNIVERSITY OF BUCHAREST
FACULTY OF PHYSICS Guest
2024-11-22 1:23 |
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Conference: Bucharest University Faculty of Physics 2021 Meeting
Section: Atomic and Molecular Physics. Astrophysics. Applications
Title:
1D Model of Carbon Nanotubes for Longitudinal Wave Propagation
Authors:
Florentina PISLAN, Gergely KOSA, Voicu GRECU, Mircea BERCU
Affiliation:
Faculty of Physics, University of Bucharest
E-mail
florentinapislan@yahoo.com
Keywords:
Carbon Nanotube, Deformation waves
Abstract:
Waves propagation in single walled carbon nanotubes (SWCNT) were calculated by means of a proposed 1D model. The 3D atomic structure has been represented as a chain of virtual atoms having the mass and positions corresponding to the single cell weight and to local mass center respectively. The interaction between the nearest neighbors has been represented by Morse type potential. The gap value was assumed from ab-initio molecular orbitals calculations, applied to two consecutive unit cells of the SWCNT. The equilibrium distance results from C-C chemical bonds of relaxed nanotube. The third parameter that gives the profile of the gap has been found by fitting the deformation waves velocities of 1D model , relative to that calculated for 3D-real structure of SWCNT. The representativity of the simplest model has been investigated for the propagation of the waves up to their first reflection at the opposite end of SWCNT, relative to that where external force is applied, more precisely below a strain of 9%. This study on the limits of 1D models has been developed to sustained analytic descriptions of energy transmission through carbon nanotubes via progresive and solitonic waves.
References:
G.Kosa, M.Bercu, V.Grecu Rom.J.Inf. Sci.Tech. vol.14, 4,324-333 (2011)
G.Kosa, M.Bercu, V.Grecu Optoelectronics and advance materials, Vol5,No10, 1103-1106 (2011)
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