Steady state thermal transport in anharmonic systems

Details Steady state thermal transport in anharmonic systems Steady state thermal transport in anharmonic systems

2012-02-28

arxiv.org/abs/1202.6262v1

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

11 pages, 7 figures

Scientific paper

We develop a general theory for thermal transport in anharmonic systems under the weak system-bath coupling approximation similar to the quantum master equation formalism. A current operator is derived, which is valid not only in the steady state, but in the transient regime as well. Here we focus on the effects of anharmonicity on the steady state thermal conductance of a mono- and di-atomic molecular system. We also study molecules being confined in a double well potential. We find that when the molecules have a non-linear on-site potential the low-temperature thermal conductance is dramatically affected by the strength of non-linearity, whereas for the diatomic molecule connected by an anharmonic spring the strength of anharmonicity plays almost no role in the low-temperature regime. In case of the molecules confined in a double well potential we find that the height of the barrier greatly affects the thermal conductance; once the molecules can feel the effect of the barrier we observe negative differential thermal conductance at both high and low temperatures.

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