Acoustic energy dissipation and thermalization in carbon nanotubes: Atomistic modeling and mesoscopic description

The rates and channels through which acoustic energy deposited instantaneously in individual CNTs is dissipated are investigated in a series of atomistic molecular dynamics simulations. Several distinct regimes of energy dissipation, dependent on the initial stretching or bending deformations, are e...

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Bibliographic Details
Published in:Physical review. B, Condensed matter and materials physics Condensed matter and materials physics, 2012-10, Vol.86 (16), Article 165414
Main Authors: Jacobs, William M., Nicholson, David A., Zemer, Hagit, Volkov, Alexey N., Zhigilei, Leonid V.
Format: Article
Language:English
Subjects:
Acoustics
Bending
Channels
Computer simulation
Condensed matter
Energy dissipation
Materials Science
Mathematical models
Parametrization
Physics
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Summary:The rates and channels through which acoustic energy deposited instantaneously in individual CNTs is dissipated are investigated in a series of atomistic molecular dynamics simulations. Several distinct regimes of energy dissipation, dependent on the initial stretching or bending deformations, are established. The onset of axial or bending buckling marks the transition from a regime of slow thermalization to a regime in which the energy associated with longitudinal and bending oscillations is rapidly damped.The results of the atomistic simulations are used in the design and parameterization of a "heat bath" description of thermal energy in a mesoscopic model, which is capable of simulating systems consisting of thousands of interacting CNTs.
ISSN:1098-0121
1550-235X
DOI:10.1103/PhysRevB.86.165414