UNIVERSITY OF BUCHAREST
FACULTY OF PHYSICS

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2024-11-22 2:22

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Conference: Bucharest University Faculty of Physics 2010 Meeting


Section: Atomic and Molecular Physics; Astrophysics


Title:
Shock waves generated during SWCNT Fracture


Authors:
Gergely Kosa, Mircea Bercu, Voicu V. Grecu


Affiliation:
University of Bucharest, Faculty of Physics, Atomistilor 405, Bucharest-Magurele, Romania


E-mail
dolomynum@gmail.com


Keywords:
nanotube fracture


Abstract:
Fracture of open single walled carbon nanotubes were modeled using molecular dynamics. The nanotubes used consisted of 2220-4884 carbon atoms, with a length of 273 A and a diameter between 6.8 A and 15 A. Forces between C atoms were calculated using a modified Morse potential.The SWCNT was fixed at one end, and a constant velocity was applied to the other end for a given time interval, or until the fracture. The location of fracture, deformation and time elapsed until the fracture were studied, observing that these values depend on the initial stress and the stretching velocity of the nanotube. This behavior is due to the transversal and longitudinal waves developing in the nanotube. After shockwave generation they are monitored at different positions along the SWCNT by correlated time dependency of the positions of selected atoms.