Thermal transport in defective and disordered materials

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

Research output: Contribution to journalReview articlepeer-review

63 Scopus citations

Abstract

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.

Original languageEnglish
Article number031311
JournalApplied Physics Reviews
Volume8
Issue number3
DOIs
StatePublished - Sep 1 2021

Funding

R.H., J.S., and S.G. acknowledge the Air Force Office of Scientific Research MURI program (Grant No. FA9550-18-1-0479). R.G. and G.J.S. acknowledge the support of award 70NANB19H005 from the U.S. Department of Commerce, National Institute of Standards and Technology as part of the Center for Hierarchical Materials Design (CHiMaD). L.L. acknowledges support from the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Material Sciences and Engineering Division for thermal transport calculations and manuscript development. Computational resources were provided by the National Energy Research Scientific Computing Center (NERSC), a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.

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