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Bibliographic Details
Main Authors: Kremeyer, Laurenz, Siwick, Bradley J., Huberman, Samuel
Format: Preprint
Published: 2025
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Online Access:https://arxiv.org/abs/2512.13616
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author Kremeyer, Laurenz
Siwick, Bradley J.
Huberman, Samuel
author_facet Kremeyer, Laurenz
Siwick, Bradley J.
Huberman, Samuel
contents Deviations from diffusive heat transport in high thermal conductivity crystalline insulators are generally understood within the framework of the phonon Boltzmann Transport Equation. However, for low thermal conductivity materials with large primitive cells or strong anharmonicity, the recently developed Wigner Transport Equation is more appropriate as it includes tunnelling between overlapping phonon bands. In this work, via solutions to the Wigner Transport Equation, we develop a scheme to obtain the dynamics of the phonon populations and coherences as a function of an arbitrary heat source. The approach is applied to predict size effects and dynamical thermal conductivities in CsPbBr$_\text{3}$ and La$_\text{2}$Zr$_\text{2}$O$_\text{7}$ using first-principles data as input. We predict significant deviations from the bulk thermal conductivity in these materials at length scales on the order of hundreds of nanometers to a few microns at room temperature, well within the reach of direct observation using current experimental techniques.
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institution arXiv
publishDate 2025
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spellingShingle Transition from population- to coherence-dominated nondiffusive thermal transport
Kremeyer, Laurenz
Siwick, Bradley J.
Huberman, Samuel
Materials Science
Mesoscale and Nanoscale Physics
Deviations from diffusive heat transport in high thermal conductivity crystalline insulators are generally understood within the framework of the phonon Boltzmann Transport Equation. However, for low thermal conductivity materials with large primitive cells or strong anharmonicity, the recently developed Wigner Transport Equation is more appropriate as it includes tunnelling between overlapping phonon bands. In this work, via solutions to the Wigner Transport Equation, we develop a scheme to obtain the dynamics of the phonon populations and coherences as a function of an arbitrary heat source. The approach is applied to predict size effects and dynamical thermal conductivities in CsPbBr$_\text{3}$ and La$_\text{2}$Zr$_\text{2}$O$_\text{7}$ using first-principles data as input. We predict significant deviations from the bulk thermal conductivity in these materials at length scales on the order of hundreds of nanometers to a few microns at room temperature, well within the reach of direct observation using current experimental techniques.
title Transition from population- to coherence-dominated nondiffusive thermal transport
topic Materials Science
Mesoscale and Nanoscale Physics
url https://arxiv.org/abs/2512.13616