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Two different heat-transport mechanisms are discussed in solids: in crystals, heat carriers propagate and scatter particle-like as described by Peierls' formulation of the Boltzmann transport equation for phonon wavepackets. In glasses,…

Materials Science · Physics 2022-07-12 Michele Simoncelli , Nicola Marzari , Francesco Mauri

Fundamentally understanding lattice dynamics and thermal transport behavior in liquid-like, partially occupied compounds remains a long-standing challenge in condensed matter physics. Here, we investigate the microscopic mechanisms…

We develop a computational framework, based on the Boltzmann transport equation, with the ability to compute the thermal transport in nanostructured materials of any geometry using as the only input the bulk thermal conductivity…

Mesoscale and Nanoscale Physics · Physics 2014-10-20 Giuseppe Romano , Jeffrey C. Grossman

We study nondiffusive thermal transport by phonons at small distances within the framework of the Boltzmann transport equation (BTE) and demonstrate that the transport is significantly affected by the distribution of phonons emitted by the…

Mesoscale and Nanoscale Physics · Physics 2017-10-05 Vazrik Chiloyan , Samuel Huberman , Alexei A. Maznev , Keith A. Nelson , Gang Chen

Understanding ballistic phonon transport effects in transient thermoreflectance experiments and explaining the observed deviations from classical theory remains a challenge. Diffusion equations are simple and computationally efficient but…

Mesoscale and Nanoscale Physics · Physics 2016-03-23 Jesse Maassen , Mark Lundstrom

Understanding heat transport in organic semiconductors is of fundamental and practical relevance. Therefore, we study the lattice thermal conductivities of a series of (oligo)acenes, where an increasing number of rings per molecule leads to…

Materials Science · Physics 2024-12-09 Lukas Legenstein , Lukas Reicht , Sandro Wieser , Michele Simoncelli , Egbert Zojer

We thoroughly investigate the microscopic mechanisms of the thermal transport in orthorhombic \textit{o}-CsCu$_5$S$_3$ by integrating the first-principles-based self-consistent phonon calculations (SCP) with the linearized Wigner transport…

Materials Science · Physics 2024-04-17 Jincheng Yue , Jiongzhi Zheng , Junda Li , Siqi Guo , Wenling Ren , Han Liu , Yanhui Liu , Tian Cui

We show that the local temperature dependence of thermalized electron and phonon populations along metallic carbon nanotubes is the main reason behind this non-linear transport characteristics in the high bias regime. Our model that…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 M. A. Kuroda , J. -P. Leburton

We present a new method for predicting effective thermal conductivity ($\kappa_{\textrm{eff}}$) in materials, informed by ${ab\,initio}$ material property simulations. Using the Boltzmann transport equation in a Self-Adjoint Angular Flux…

Materials Science · Physics 2019-08-22 Jackson R. Harter , Aria Hosseini , Todd. S. Palmer , P. Alex Greaney

Measurements of thermal diffusivity in several insulators have been shown to reach a Planckian bound on thermal transport that can be thought of as the limit of validity of semiclassical phonon scattering. Beyond this regime, the heat…

Materials Science · Physics 2021-05-19 Huan-Kuang Wu , Jay Sau

Thermal conductivity in dielectric crystals is the result of the relaxation of lattice vibrations described by the phonon Boltzmann transport equation. Remarkably, an exact microscopic definition of the heat carriers and their relaxation…

Materials Science · Physics 2016-10-26 Andrea Cepellotti , Nicola Marzari

It is generally understood that Fourier's law does not describe ballistic phonon transport, which is important when the length of a material is similar to the phonon mean-free-path. Using an approach adapted from electron transport, we…

Mesoscale and Nanoscale Physics · Physics 2015-06-22 Jesse Maassen , Mark Lundstrom

The phonon thermal conductivity of semiconducting periodic solids can be obtained using the lattice dynamics calculations along with the Boltzmann transport equation and with input from density functional theory calculations. These…

Mesoscale and Nanoscale Physics · Physics 2025-05-30 Ankit Jain , Yagyank Srivastava , Amey G. Gokhale , Nidheesh Virakante , Hardik L. Kagdada

While spatial phonon coherence manifested through band folding is believed to be a key factor governing the anomalous thermal conductivity of periodic structures, we investigate phonon transport from the perspective of temporal coherence.…

Mesoscale and Nanoscale Physics · Physics 2026-04-01 Xiaoyu Huang , Yuxiang Ni , Zhongwei Zhang , Yangyu Guo , Marc Bescond , Masahiro Nomura , Sebastian Volz

Developing simplified, but accurate, theoretical approaches to treat heat transport on all length and time scales is needed to further enable scientific insight and technology innovation. Using a simplified form of the Boltzmann transport…

Mesoscale and Nanoscale Physics · Physics 2015-06-23 Jesse Maassen , Mark Lundstrom

Understanding heat conduction in defective silicon is crucial for electronics and thermoelectrics. Conventional understanding relies on phonon gas picture, treating defects as scattering centers that reduce phonon lifetimes without altering…

Materials Science · Physics 2025-06-04 Xueyan Zhu , Jin Yang , J. Shiomi , Cheng Shao

We demonstrate the coherent transport of thermal energy in superlattices by introducing a microscopic definition of the phonon coherence length. We demonstrate how to distinguish a coherent transport regime from diffuse interface scattering…

Mesoscale and Nanoscale Physics · Physics 2014-09-09 Benoit Latour , Sebastian Volz , Yann Chalopin

The Boltzmann transport equation (BTE) has proven indispensable in elucidating quasiballistic heat dynamics. Experimental observations of nondiffusive thermal transients, however, are interpreted almost exclusively through purely diffusive…

Mesoscale and Nanoscale Physics · Physics 2016-11-23 Bjorn Vermeersch

Cross-plane heat transport in thin films with thickness comparable to the phonon mean free paths is of both fundamental and practical interest. However, physical insight is difficult to obtain for the cross-plane geometry due to the…

Mesoscale and Nanoscale Physics · Physics 2014-10-13 Chengyun Hua , Austin J. Minnich

Steady-state thermal transport in nanostructures with dimensions comparable to the phonon mean-free-path is examined. Both the case of contacts at different temperatures with no internal heat generation and contacts at the same temperature…

Mesoscale and Nanoscale Physics · Physics 2017-03-08 Jan Kaiser , Tianli Feng , Jesse Maassen , Xufeng Wang , Xiulin Ruan , Mark Lundstrom
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