Reduced thermal conductivity in molecular forests
arXiv:2005.10685 · doi:10.1021/acsnano.0c09741
Abstract
Heat propagation in quasi-one dimensional materials (Q1DMs) often appears paradoxical. While an isolated Q1DM, such as a nanowire, carbon nanotube, or polymer, can exhibit a high thermal conductivity \k{appa}, forests of the same materials show a reduction in \k{appa}. Here, the complex structures of these assemblies have hindered the emergence of a clear molecular picture of this intriguing phenomenon. We combine multiscale (coarse-grained) simulation with the concepts known from polymer physics and thermal transport to unveil a generic (microscopic) picture of \k{appa} reduction in molecular forests. We show that a delicate balance between the bond orientations, the persistence length of the Q1DM and the flexural vibrations govern the knock-down of \k{appa}.
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Cited by in corpus (4)
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- Thermal conductivity of polymers: A simple matter where complexity matters
- Computing the thermal transport coefficient of neutral amorphous polymers using exact vibrational density of states: Comparison with experiments
- Smart polymer solution and thermal conductivity: How important is an exact polymer conformation?