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Thermal rectification optimization in nanoporous Si using Monte Carlo simulations

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Chakraborty, Dhritiman, Brooke, Joshua, Hulse, Nicholas C. S. and Neophytou, Neophytos (2019) Thermal rectification optimization in nanoporous Si using Monte Carlo simulations. Journal of Applied Physics, 126 (18). 184303. doi:10.1063/1.5119806 ISSN 0021-8979.

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Official URL: http://dx.doi.org/10.1063/1.5119806

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Abstract

We investigate thermal rectification in nanoporous silicon using a semiclassical Monte Carlo simulation method. We consider geometrically asymmetric nanoporous structures and investigate the combined effects of porosity, interpore distance, and pore position relative to the device boundaries. Two basis geometries are considered, one in which the pores are arranged in rectangular arrays and ones in which they form triangular arrangements. We show that systems (i) with denser, compressed pore arrangements (i.e., with smaller interpore distances), (ii) with the pores positioned closer to the device edge/contact, and (iii) with the pores in a triangular arrangement can achieve rectification of over 55%. Introducing smaller pores into existing porous geometries in a hierarchical fashion increases rectification even further to over 60%. Importantly, for the structures we simulate, we show that sharp rectifying junctions, separating regions of long from short phonon mean-free-paths, are more beneficial for rectification than spreading the asymmetry throughout the material along the heat direction in a graded fashion.

Item Type: Journal Article
Subjects: Q Science > QA Mathematics
Q Science > QD Chemistry
T Technology > TA Engineering (General). Civil engineering (General)
Divisions: Faculty of Science, Engineering and Medicine > Engineering > Engineering
Library of Congress Subject Headings (LCSH): Thermal analysis, Nanostructured materials, Thermal conductivity , Nanotechnology, Monte Carlo method
Journal or Publication Title: Journal of Applied Physics
Publisher: American Institute of Physics
ISSN: 0021-8979
Official Date: 2019
Dates:
DateEvent
2019Published
13 November 2019Available
29 October 2019Accepted
Volume: 126
Number: 18
Article Number: 184303
DOI: 10.1063/1.5119806
Status: Peer Reviewed
Publication Status: Published
Reuse Statement (publisher, data, author rights): This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in Chakraborty, Dhritiman, Brooke, Joshua, Hulse, Nicholas C. S. and Neophytou, Neophytos (2019) Thermal rectification optimization in nanoporous Si using Monte Carlo simulations. Journal of Applied Physics, 126 (18). 184303. doi:10.1063/1.5119806 and may be found at http://dx.doi.org/10.1063/1.5119806
Access rights to Published version: Restricted or Subscription Access
Date of first compliant deposit: 18 November 2019
Date of first compliant Open Access: 18 November 2019
RIOXX Funder/Project Grant:
Project/Grant IDRIOXX Funder NameFunder ID
678763[ERC] Horizon 2020 Framework Programmehttp://dx.doi.org/10.13039/100010661

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