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Updated: Jan 19, 2026

Characterization of Thermal Transport in One-dimensional Solid Materials
Published on: January 26, 2014
Phononic thermal transport properties of C3N nanotubes
Mohan S R Elapolu1, Alireza Tabarraei1, Amin Reihani2
1Department of Mechanical Engineering & Engineering Science, University of North Carolina at Charlotte, Charlotte, NC 28223, United States of America.
Abstract:
Reverse nonequilibrium molecular dynamics (RNEMD) is employed to study the phononic thermal transport properties of C3N nanotubes. We study the effect of nanotube length and diameter on the thermal conductivity and investigate the phonon transport transition from ballistic to diffusive regime in C3N nanotubes. It is found that the thermal conductivity of C3N nanotubes is significantly lower than those of carbon nanotubes across the entire ballistic-diffusive range. In addition, significantly lower ballistic to diffusive transition length (72-80 nm) is observed in C3N nanotubes compared to carbon nanotubes. The inspection of phonon dispersion curves shows that carbon nanotubes have stiffer acoustic modes than C3N nanotubes which results in lower group velocities for C3N nanotubes. Due to the presence of nitrogen atoms, the phonon mean free paths and relaxation times of C3N nanotubes are shorter than those of the carbon nanotubes. The combined effect of lower group velocities and relaxation times leads to the lower thermal conductivity of C3N nanotubes.
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