Model for thermal conductivity in nanoporous silicon from atomistic simulations

Riccardo Dettori, Claudio Melis, Xavier Cartoixà, Riccardo Rurali, Luciano Colombo

Research output: Contribution to journalArticleResearchpeer-review

36 Citations (Scopus)

Abstract

© 2015 American Physical Society. By means of molecular dynamics simulations, we have studied heat transport in nanoporous silicon, finding that the Eucken model, widely adopted in the description of thermal transport in macroporous systems, breaks down when pores are nanometer-sized. Present atomistic results are used to inform an extension to this model, effectively describing the relationship between thermal conductivity and interface density, here identified as the key structural characteristic of a porous sample. Our model, validated against a range of pore sizes and distributions, provides a robust framework for the interpretation of the atomistic results, as well as suggesting how to estimate the average pore size through thermal transport measurements.
Original languageEnglish
Article number054305
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume91
DOIs
Publication statusPublished - 23 Feb 2015

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