Regensburg 2022 – scientific programme
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MM: Fachverband Metall- und Materialphysik
MM 21: Transport in Materials: Thermal transport
MM 21.1: Talk
Wednesday, September 7, 2022, 10:15–10:30, H45
Computational modeling of extremely anisotropic van der Waals thermal conductors — Shi En Kim1, Fauzia Mujid1, Akash Rai2, •Fredrik Eriksson3, Joonki Suh1, Preeti Poddar1, Ariana Ray4, Chibeom Park1, Erik Fransson3, Yu Zhong1, David A. Muller4, Paul Erhart3, David G. Cahill2, and Jiwoong Park1 — 1Uni. of Chicago, USA. — 2Uni. of Illinois UC, USA. — 3Chalmers, Sweden. — 4Cornell Uni., USA.
Materials with thermal conduction anisotropy can provide innovative thermal management strategies in integrated circuits. However, artificially engineered material lacks the anisotropy ratios seen in nature. Here, we report extremely anisotropic thermal conductors based on large-area van der Waals thin films with random interlayer rotations, which produce a room-temperature thermal anisotropy ratio close to 900 in MoS2, one of the highest ever reported. This is enabled by the interlayer rotations that impede the through-plane conductivity, while the long-range intralayer crystallinity maintains high in-plane onductivity. In this contribution we will present the computational analysis of the measured ultralow thermal conductivities in the through-plane direction for MoS2 (57± 3 mW m−1 K−1). Using molecular dynamics simulations we quantitatively explain these values and reveal a one-dimensional glass-like thermal transport. Conversely, the in-plane thermal conductivity in these MoS2 films is close to the single-crystal value. Our work establishes interlayer rotation in crystalline layered materials as a new degree of freedom for engineering-directed heat transport in solid-state systems. Nature 597, 660-665 (2021)