aalto1 untyped-item.component.html
Frequency-dependent phonon mean free path in carbon nanotubes from nonequilibrium molecular dynamics
Loading...
Access rights
openAccess
publishedVersion
URL
Journal Title
Journal ISSN
Volume Title
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
This publication is imported from Aalto University research portal.
View publication in the Research portal (opens in new window)
View/Open full text file from the Research portal (opens in new window)
Other link related to publication (opens in new window)
View publication in the Research portal (opens in new window)
View/Open full text file from the Research portal (opens in new window)
Other link related to publication (opens in new window)
Unless otherwise stated, all rights belong to the author. You may download, display and print this publication for Your own personal use. Commercial use is prohibited.
Date
Major/Subject
Mcode
Degree programme
Language
en
Pages
Series
Physical Review B, Volume 91, issue 11, pp. 1-10
Abstract
Owing to their long phonon mean free paths (MFPs) and high thermal conductivity, carbon nanotubes (CNTs) are ideal candidates for, e.g., removing heat from electronic devices. It is unknown, however, how the intrinsic phonon MFPs depend on vibrational frequency in nonequilibrium. We determine the spectrally resolved phonon MFPs in isotopically pure CNTs from the spectral phonon transmission function calculated using nonequilibrium molecular dynamics, fully accounting for the resistive phonon-phonon scattering processes through the anharmonic terms of the interatomic potential energy function. Our results show that the effective room temperature MFPs of low-frequency phonons (f<0.5 THz) exceed 10μm, while the MFP of high-frequency phonons (f≳20 THz) is in the range 10–100 nm. Because the determined MFPs directly reflect the resistance to energy flow, they can be used to accurately predict the thermal conductivity for arbitrary tube lengths by calculating a single frequency integral. The presented results and methods are expected to significantly improve the understanding of nonequilibrium thermal transport in low-dimensional nanostructures.
Description
Keywords
Other note
Citation
Sääskilahti, K, Oksanen, J, Volz, S & Tulkki, J 2015, 'Frequency-dependent phonon mean free path in carbon nanotubes from nonequilibrium molecular dynamics', Physical Review B, vol. 91, no. 11, 115426, pp. 1-10. https://doi.org/10.1103/PhysRevB.91.115426