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Title: Thermal conductance of superlattice junctions

Abstract

We use molecular dynamics simulations and the lattice-based scattering boundary method to compute the thermal conductance of finite-length Lennard-Jones superlattice junctions confined by bulk crystalline leads. The superlattice junction thermal conductance depends on the properties of the leads. For junctions with a superlattice period of four atomic monolayers at temperatures between 5 and 20 K, those with mass-mismatched leads have a greater thermal conductance than those with mass-matched leads. We attribute this lead effect to interference between and the ballistic transport of emergent junction vibrational modes. The lead effect diminishes when the temperature is increased, when the superlattice period is increased, and when interfacial disorder is introduced, but is reversed in the harmonic limit.

Authors:
;  [1]
  1. Department of Mechanical Engineering, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213 (United States)
Publication Date:
OSTI Identifier:
22488555
Resource Type:
Journal Article
Journal Name:
AIP Advances
Additional Journal Information:
Journal Volume: 5; Journal Issue: 5; Other Information: (c) 2015 Author(s); Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 2158-3226
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 97 MATHEMATICAL METHODS AND COMPUTING; MOLECULAR DYNAMICS METHOD; SCATTERING; SIMULATION; SUPERLATTICES

Citation Formats

Lu, Simon, and McGaughey, Alan J. H., E-mail: mcgaughey@cmu.edu. Thermal conductance of superlattice junctions. United States: N. p., 2015. Web. doi:10.1063/1.4918591.
Lu, Simon, & McGaughey, Alan J. H., E-mail: mcgaughey@cmu.edu. Thermal conductance of superlattice junctions. United States. doi:10.1063/1.4918591.
Lu, Simon, and McGaughey, Alan J. H., E-mail: mcgaughey@cmu.edu. Fri . "Thermal conductance of superlattice junctions". United States. doi:10.1063/1.4918591.
@article{osti_22488555,
title = {Thermal conductance of superlattice junctions},
author = {Lu, Simon and McGaughey, Alan J. H., E-mail: mcgaughey@cmu.edu},
abstractNote = {We use molecular dynamics simulations and the lattice-based scattering boundary method to compute the thermal conductance of finite-length Lennard-Jones superlattice junctions confined by bulk crystalline leads. The superlattice junction thermal conductance depends on the properties of the leads. For junctions with a superlattice period of four atomic monolayers at temperatures between 5 and 20 K, those with mass-mismatched leads have a greater thermal conductance than those with mass-matched leads. We attribute this lead effect to interference between and the ballistic transport of emergent junction vibrational modes. The lead effect diminishes when the temperature is increased, when the superlattice period is increased, and when interfacial disorder is introduced, but is reversed in the harmonic limit.},
doi = {10.1063/1.4918591},
journal = {AIP Advances},
issn = {2158-3226},
number = 5,
volume = 5,
place = {United States},
year = {2015},
month = {5}
}