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Heat current anticorrelation effects leading to thermal conductivity reduction in nanoporous Si

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de Sousa Oliveira, Laura, Hosseini, S. Aria, Greaney, Alex and Neophytou, Neophytos (2020) Heat current anticorrelation effects leading to thermal conductivity reduction in nanoporous Si. Physical Review B, 102 (20). 205405. doi:10.1103/PhysRevB.102.205405 ISSN 2469-9950.

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Official URL: http://dx.doi.org/10.1103/PhysRevB.102.205405

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Abstract

Prevailing nanostructuring strategies focus on increasing phonon scattering and reducing the mean-free-path of phonons across the spectrum. In nanoporous Si materials, for example, boundary scattering reduces thermal conductivity drastically. In this work, we identify an unusual anticorrelated specular phonon scattering effect which can result in additional reductions in thermal conductivity of up to ∼80% for specific nanoporous geometries. We further find evidence that this effect has its origin in heat trapping between large pores with narrow necks. As the heat becomes trapped between the pores, phonons undergo multiple specular reflections such that their contribution to the thermal conductivity is partly undone. We find this effect to be wave-vector dependent at low temperatures. We use large-scale molecular-dynamics simulations, wave-packet analysis, as well as an analytical model to illustrate the anticorrelation effect, evaluate its impact on thermal conductivity, and detail how it can be controlled to manipulate phonon transport in nanoporous materials.

Item Type: Journal Article
Subjects: Q Science > QC Physics
T Technology > T Technology (General)
T Technology > TA Engineering (General). Civil engineering (General)
T Technology > TK Electrical engineering. Electronics Nuclear engineering
Divisions: Faculty of Science, Engineering and Medicine > Engineering > Engineering
Library of Congress Subject Headings (LCSH): Thermal conductivity , Nanostructured materials -- Thermal properties, Thermoelectric materials, Nanotechnology, Molecular dynamics -- Simulation methods, Heat flux
Journal or Publication Title: Physical Review B
Publisher: American Physical Society
ISSN: 2469-9950
Official Date: November 2020
Dates:
DateEvent
November 2020Published
4 November 2020Available
19 October 2020Accepted
Volume: 102
Number: 20
Article Number: 205405
DOI: 10.1103/PhysRevB.102.205405
Status: Peer Reviewed
Publication Status: Published
Access rights to Published version: Restricted or Subscription Access
Copyright Holders: ©2020 American Physical Society
Date of first compliant deposit: 13 November 2020
Date of first compliant Open Access: 16 November 2020
RIOXX Funder/Project Grant:
Project/Grant IDRIOXX Funder NameFunder ID
678763H2020 European Research Councilhttp://dx.doi.org/10.13039/100010663

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