Intrinsic thermal conductance, extended reservoir simulations, and Kramers transition rate theory

Kirill A. Velizhanin, Chih Chun Chien, Yonatan Dubi

Research output: Contribution to journalArticlepeer-review

Abstract

Simulating transport in nanoscale and mesoscale materials is one of the most fundamental tasks
of computational science. Thermal transport, in particular, has a long history from investigating
the conditions under which Fourier’s law is obeyed to the role of nonlinearity to studies of heattronic
devices. We demonstrate that there exists three distinct regimes of thermal transport through onedimensional lattices when the coupling to the Langevin bath is tuned. These regimes are reminiscent
of those appearing in the Kramers transition rate problem. Specifically, we show that heat transport
in the intermediate coupling regime is only very weakly affected by the parameters of the bath –
similar to the transition state theory. In this work, we focus on harmonic lattices, as the full range of
behavior can be approached both analytically and numerically. We then briefly discuss the possible
implications and signatures of this crossover behavior in anharmonic lattices.
Original languageEnglish
Number of pages20
JournalarXiv
StatePublished - 19 Dec 2013

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