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Interfaces play an essential role in phonon-mediated heat conduction in solids, impacting applications ranging from thermoelectric waste heat recovery to heat dissipation in electronics. From a microscopic perspective, interfacial phonon…

Mesoscale and Nanoscale Physics · Physics 2015-09-28 Chengyun Hua , Xiangwen Chen , Navaneetha K. Ravichandran , Austin J. Minnich

In this work, we use a combination of first-principles calculations under the density functional theory framework and heat transport simulations using the atomistic Green's function (AGF) method to quantitatively predict the contribution of…

Mesoscale and Nanoscale Physics · Physics 2017-03-01 Sridhar Sadasivam , Ning Ye , James Charles , Kai Miao , Joseph P. Feser , Tillmann Kubis , Timothy S. Fisher

The phonon thermal transport properties of eight ternary intermetallic semiconductors are investigated by accounting for higher-order four-phonon scattering, phonon renormalization, and multi-channel thermal transport. The commonly used…

Materials Science · Physics 2022-08-17 Ankit Jain

In this work we study the energy transport in a one-dimensional system composed of two dissimilar Frenkel-Kontorova lattices connected by a time-modulated coupling and in contact with two heat reservoirs operating at different temperature…

Statistical Mechanics · Physics 2021-03-03 M. Romero-Bastida

In this paper, thermal transport in bond-disordered harmonic chains is revisited in detail using a nonequilibrium Green's function formalism. For strong bond disorder, thermal conductivity is independent of the system size. However, kinetic…

Statistical Mechanics · Physics 2021-10-25 Kiminori Hattori , Shohei Kumatoriya

The relaxation of a spatially sinusoidal temperature perturbation in a dielectric crystal at a temperature comparable to or higher than the Debye temperature is investigated theoretically. We assume that most phonons contributing to the…

Materials Science · Physics 2011-12-12 A. A. Maznev , Jeremy A. Johnson , Keith A. Nelson

We study the transport properties of an overdamped Brownian particle which is simultaneously in contact with two thermal baths. The first bath is modeled by an additive thermal noise at temperature $T_A$. The second bath is associated with…

Statistical Mechanics · Physics 2015-05-18 Raishma Krishnan , Sanjay Puri , Arun M. Jayannavar

We develop an accurate interlayer pairwise potential derived from the \textit{ab-initio} calculations and investigate the thermal transport of silicene bilayers within the framework of equilibrium molecular dynamics simulations. The…

Materials Science · Physics 2023-11-16 Sapta Sindhu Paul Chowdhury , Appalakondaiah Samudrala , Santosh Mogurampelly

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

Field-effect transistors (FETs) predominantly utilize electrons for signal processing in modern electronics. In contrast, phonon-based field-effect transistors (PFETs)-which employ phonons for active thermal management-remain markedly…

Computational Physics · Physics 2025-08-05 H. F. Feng , Z. Y. Xu , B. Liu , Zhi-Xin Guo

The occurrence of thermal transport phenomena is widespread, exerting a pivotal influence on the functionality of diverse electronic and thermo-electric energy-conversion devices. The traditional first-principles theory governing the…

Materials Science · Physics 2026-05-20 Soham Mandal , Manish Jain , Prabal K. Maiti

Thermal transport in the Si/SiO$_2$ multishell nanotubes is investigated theoretically. The phonon energy spectra are obtained using the atomistic Lattice Dynamics approach. Thermal conductivity is calculated using the Boltzmann transport…

Materials Science · Physics 2021-04-30 C. Isacova , A. Cocemasov , D. L. Nika , V. M. Fomin

Understanding the impact of lattice imperfections on nanoscale thermal transport is crucial for diverse applications ranging from thermal management to energy conversion. Grain boundaries (GBs) are ubiquitous defects in polycrystalline…

In this colloquia review we discuss methods for thermal transport calculations for nanojunctions connected to two semi-infinite leads served as heat-baths. Our emphases are on fundamental quantum theory and atomistic models. We begin with…

Mesoscale and Nanoscale Physics · Physics 2008-05-23 Jian-Sheng Wang , Jian Wang , J. T. Lu

We present a formulation of a nonequilibrium Green's function method for thermal current in nanojunction atomic systems with nonlinear interactions. This first-principle approach is applied to the calculation of the thermal conductance in…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Jian-Sheng Wang , Jian Wang , Nan Zeng

One-dimensional particle chains are fundamental models to explain anomalous thermal conduction in low-dimensional solids like nanotubes and nanowires. In these systems the thermal energy is carried by phonons, i.e. propagating lattice…

Mesoscale and Nanoscale Physics · Physics 2022-03-17 Francesco De Vita , Giovanni Dematteis , Raffaele Mazzilli , Davide Proment , Yuri V. Lvov , Miguel Onorato

Motivated by thermal conductivity experiments in spin chain compounds, we propose a phenomenological model to account for a ballistic magnetic transport coupled to a diffusive phononic one, along the line of the seminal two-temperature…

Statistical Mechanics · Physics 2021-08-04 P. Zavitsanos , X. Zotos

A thorough understanding of the microscopic picture of heat conduction in solids is critical to a broad range of applications, from thermal management of microelectronics to more efficient thermoelectric materials. The transport properties…

Materials Science · Physics 2021-02-04 Yujie Quan , Shengying Yue , Bolin Liao

Exotic nondiffusive heat transfer regimes such as the second sound, where heat propagates as a damped wave at speeds comparable to those of mechanical disturbances, often occur at cryogenic temperatures (T) and nanosecond timescales in…

Materials Science · Physics 2025-02-04 Nikhil Malviya , Navaneetha K. Ravichandran

In low-dimensional systems, the combination of reduced dimensionality, strong interactions, and topology has led to a growing number of many-body quantum phenomena. Thermal transport, which is sensitive to all energy-carrying degrees of…