Hot phonons contribution to Joule heating in single-walled carbon nanotubes

Abstract

The influence of hot phonons on the electron-phonon scattering rate and Joule heating is studied via an ensemble Monte Carlo (EMC) simulation with a step by step update of the phonon occupation number to account for the generation of hot phonons. The hot phonon contribution to Joule heating appears to be a function of the applied electric force field at room temperature, while it becomes independent of the applied electric force field for higher temperatures. The influence of hot phonons on Joule heating is more pronounced around room temperature and diminishes for higher temperatures. The results of the ensemble Monte Carlo simulation at very high temperatures (around 1800 K and above) suggest that the presence of non-equilibrium phonons may reduce the Joule heating of single-walled carbon nanotubes (SWCNTs).

Simulation of self-heating process on the nanoscale: a multiscale approach for molecular models of nanocomposite materials

“…49,52,53 Moreover, the application as ice controller on different transportation infrastructures such as highways, interchanges, bridges, airport runways, can improve drivers safety while not compromising the durability of the structures with the use of sprayed substances that can damage them. 54 Another very useful application is the self-curing, 28,34,[54][55][56][57][58][59][60][61] i.e. the conductive ller is added to the polymer matrix and can improve the curing process by generating heat from inside the material itself.…”

Phonon dispersion and quantization tuning of strained carbon nanotubes for flexible electronics

“…The longitudinal phonons play a major role in the transport behavior of CNTs, and are responsible for most of the electronphonon scattering events. 5,17,19,21,35 The electron-phonon scattering theory developed by Pennington shows that the scattering rates are inversely proportional to the phonon energy, which means that a change in the phonon quantization and, in particular, the overall longitudinal phonon softening suggested by the results in Figs. 9 and 10 would imply an increase in the electron-phonon scattering rates in CNTs.…”

“…Full band calculations of strained phonon dispersion for CNTs are necessary for the simulation and design of CNT and graphene based structures under mechanical strain such as flexible electronic devices. Electron-phonon and phonon-phonon scattering rates used in transport calculations and CNT simulations [16][17][18][19][20][21] both require knowledge of these dispersions. The electrical properties of CNTs under strain have been shown to deteriorate rather quickly.…”

An accelerated algorithm for full band electron–phonon scattering rate computation

“…However, there are situations where a scattering rate needs to be updated frequently during ensemble Monte Carlo (EMC) simulation processes. For example, the scattering rates should be calculated repeatedly when the accumulation of hot phonons is considered [7,8]. The calculation of scattering rates consumes such a long time that it makes such simulations practically unfeasible.…”