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Title: Ballistic vs. diffusive heat transfer across nanoscopic films of layered crystals

We use non-equilibrium molecular dynamics to study the heat transfer mechanism across sandwich interfacial structures of Si/n-atomic-layers/Si, with 1 ≤ n ≤ 20 and atomic layers composed of WSe{sub 2} and/or graphene. In the case of WSe{sub 2} sheets, we observe that the thermal resistance of the sandwich structure is increasing almost linearly with the number of WSe{sub 2} sheets, n, indicating a diffusive phonon transport mechanism. By contrast in the case of n graphene layers, the interfacial thermal resistance is more or less independent on the number of layers for 1 ≤ n ≤ 10, and is associated with ballistic phonon transport mechanism. We attribute the diffusive heat transfer mechanism across WSe{sub 2} sheets to abundant low frequency and low group velocity optical modes that carry most of the heat across the interface. By contrast, in graphene, acoustic modes dominate the thermal transport across the interface and render a ballistic heat flow mechanism.
Authors:
;  [1]
  1. Department of Materials Science and Engineering, and Rensselaer Nanotechnology Center, Rensselaer Polytechnic Institute, Troy, New York 12180 (United States)
Publication Date:
OSTI Identifier:
22273625
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 115; Journal Issue: 14; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; GRAPHENE; HEAT FLUX; HEAT TRANSFER; HETEROJUNCTIONS; INTERFACES; LAYERS; MOLECULAR DYNAMICS METHOD; OPTICAL MODES; PHONONS; SILICON; THERMAL CONDUCTIVITY; THIN FILMS; TUNGSTEN SELENIDES