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Physical Review B
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Physical Review B
Article . 2014 . Peer-reviewed
License: APS Licenses for Journal Article Re-use
Data sources: Crossref
https://dx.doi.org/10.48550/ar...
Article . 2014
License: arXiv Non-Exclusive Distribution
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Size effects in thermal conduction by phonons

Authors: Allen, Philip B.;

Size effects in thermal conduction by phonons

Abstract

Heat transport in nanoscale systems is both hard to measure microscopically, and hard to interpret. Ballistic and diffusive heat flow coexist, adding confusion. This paper looks at a very simple case: a nanoscale crystal repeated periodically. This is a popular model for simulation of bulk heat transport using classical molecular dynamics (MD), and is related to transient thermal grating experiments. Nanoscale effects are seen in perhaps their simplest form. The model is solved by an extension of standard quasiparticle gas theory of bulk solids. Both structure and heat flow are constrained by periodic boundary conditions. Diffusive transport is fully included, while ballistic transport by phonons of long mean free path is diminished in a specific way. Heat current J(x) and temperature gradient dT(x')/dx' have a non-local relationship, via k(x-x'), over a distance |x-x'| determined by phonon mean free paths. In MD modeling of bulk conductivity, finite computer resources limit system size. Long mean free paths, comparable to the scale of heating and cooling, cause undesired finite-size effects that have to be removed by extrapolation. The present model allows this extrapolation to be quantified. Calculations based on the Peierls-Boltzmann equation, using a generalized Debye model, show that extrapolation involves fractional powers of 1/L. It is also argued that heating and cooling should be distributed sinusoidally (de/dt~cos(2pi x/L)) to improve convergence of numerics.

9 pages (includes 5 figures). In June, 2015 a minor error in one equation was corrected by an erratum sent to Phys. Rev. B. The new arXiv version has the error corrected in the text

Related Organizations
Keywords

Condensed Matter - Mesoscale and Nanoscale Physics, Mesoscale and Nanoscale Physics (cond-mat.mes-hall), FOS: Physical sciences

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    influence
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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
23
Top 10%
Top 10%
Average
Green
hybrid