Thermal transport in defective and disordered materials

Hanus, Riley; Gurunathan, Ramya; Lindsay, Lucas; Agne, Matthias T.; Shi, Jingjing; Graham, Samuel; Jeffrey Snyder, G.

doi:10.1063/5.0055593

Title: Thermal transport in defective and disordered materials

Journal Article · 31 August 2021 · Applied Physics Reviews

DOI: https://doi.org/10.1063/5.0055593 · OSTI ID:1819577

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^[1]; Jeffrey Snyder, G. ^[2]

Georgia Institute of Technology, Atlanta, GA (United States). Dept. of Mechanical Engineering
Northwestern Univ., Evanston, IL (United States). Materials Science and Engineering
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division
Georgia Institute of Technology, Atlanta, GA (United States). Dept. of Mechanical Engineering; Helmholtz-Institute, Muenster (Germany). Institute for Energy and Climate Research

With significant recent advancements in thermal sciences—such as the development of new theoretical and experimental techniques, and the discovery of new transport mechanisms—it is helpful to revisit the fundamentals of vibrational heat conduction to formulate an updated and informed physical understanding. The increasing maturity of simulation and modeling methods sparks the desire to leverage these techniques to rapidly improve and develop technology through digital engineering and multi-scale, electro-thermal models. With that vision in mind, this review attempts to build a holistic understanding of thermal transport by focusing on the often unaddressed relationships between subfields, which can be critical for multi-scale modeling approaches. For example, we outline the relationship between mode-specific (computational) and spectral (analytical) models. We relate thermal boundary resistance models based on perturbation approaches and classic transmissivity based models. We discuss the relationship between lattice dynamics and molecular dynamics approaches along with two-channel transport frameworks that have emerged recently and that connect crystal-like and amorphous-like heat conduction. Throughout, we discuss best practices for modeling experimental data and outline how these models can guide material-level and system-level design.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: Air Force Office of Scientific Research; National Institute of Standards and Technology; USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division

Grant/Contract Number:: AC02-05CH11231; AC05-00OR22725

OSTI ID:: 1819577

Journal Information:: Applied Physics Reviews, Journal Name: Applied Physics Reviews Journal Issue: 3 Vol. 8; ISSN 1931-9401

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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