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In this book chapter we provide the definition of "Simulating Nanoscale Heat Transport", broadly regarded as modeling heat conduction beyond Fourier's law. We primarely focus on incoherent transport, which is dominated by scattering between…

Materials Science · Physics 2015-06-22 Giuseppe Romano , Jean-Philippe Peraud , Jeffrey C. Grossman

Two-dimensional layered materials have attracted tremendous attentions due to their extraordinary physical and chemical properties. Using first-principles calculations and Boltzmann transport theory, we give an accurate prediction of the…

Mesoscale and Nanoscale Physics · Physics 2019-02-13 Z. Z. Zhou , H. J. Liu , D. D. Fan , G. H. Cao , C. Y. Sheng

Heat transfer in nanocomposite materials has attracted great interest for various applications. Multilayer structures provide an important platform to study interfacial thermal transport and to engineer materials with ultralow thermal…

Metallic transition-metal nitrides (TMNs) are promising conductive ceramics for many applications, whose thermal transport is of great importance in device design. It is found metallic TiN and HfN hold anomalous thermal transport behaviors…

Materials Science · Physics 2020-06-30 Shouhang Li , Ao Wang , Yue Hu , Xiaokun Gu , Zhen Tong , Hua Bao

By way of the nonequilibrium Green's function simulations and first principles calculations, we report that borophene, a single layer of boron atoms that was fabricated recently, possesses an extraordinarily high lattice thermal conductance…

Materials Science · Physics 2017-05-31 Hangbo Zhou , Yongqing Cai , Gang Zhang , Yong-Wei Zhang

Thermal transport in high-electron-mobility-transistor (HEMT) structures grown on 4H-SiC substrates by metalorganic-vapour-phase epitaxy (MOCVD) is systematically investigated. The thermal conductivity of the GaN channel and AlN buffer…

Materials Science · Physics 2025-10-15 Dat Q. Tran , Minho Kim , Okhyun Nam , Vanya Darakchieva , Plamen P. Paskov

The ab initio model for heat propagation is the phonon transport equation, a Boltzmann-like kinetic equation. When two materials are put side by side, the heat that propagates from one material to the other experiences thermal boundary…

Numerical Analysis · Mathematics 2025-10-13 Irene M Gamba , Qin Li , Anjali Nair

With the increasing miniaturization of electronic components and the need to optimize thermal management, it has become essential to understand heat transport at metal/semiconductor interfaces. While it has been recognized decades ago that…

Heating and heat conduction in molecular junctions are considered within a general NEGF formalism. We obtain a unified description of heating in current carrying molecular junctions as well as the electron and phonon contributions to the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Michael Galperin , Mark A. Ratner , Abraham Nitzan

Nanomechanical resonators have emerged as sensors with exceptional sensitivities. These sensing capabilities open new possibilities in the studies of the thermodynamic properties in condensed matter. Here, we use mechanical sensing as a…

Hydrodynamic second sound can be generated by heat pulses when the phonon-phonon interaction is dominantly momentum conserving, and the propagation of the temperature field becomes wavelike rather than diffusive. While the Boltzmann…

Materials Science · Physics 2025-01-08 Xin Qian , Chuang Zhang , Te-Huan Liu , Ronggui Yang

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…

Materials Science · Physics 2026-05-11 Laurenz Kremeyer , Bradley J. Siwick , Samuel Huberman

Based on the phonon Boltzmann transport equation under the relaxation time approximation, analytical expressions for the temperature profiles of both steady state and modulated heat conduction inside a thin film deposited on a substrate are…

Mesoscale and Nanoscale Physics · Physics 2015-09-02 Jose Ordonez-Miranda , Ronggui Yang , Sebastian Volz , J. J. Alvarado-Gil

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

Two-dimensional transition metal dichalcogenides (TMDCs) are finding promising electronic and optical applications due to their unique properties. In this letter, we systematically study the phonon transport and thermal conductivity of…

Materials Science · Physics 2014-09-30 Xiaokun Gu , Ronggui Yang

Nanostructured materials exhibit low thermal conductivity because of the additional scattering due to phonon-boundary interactions. As these interactions are highly sensitive to the mean free path (MFP) of a given phonon mode, MFP…

Materials Science · Physics 2016-01-13 Giuseppe Romano , Keivan Esfarjani , David A. Strubbe , David Broido , Alexie M. Kolpak

Heat transport by acoustic phonons in 2D materials is fundamentally different from that in 3D crystals because the out-of-plane phonons propagate in a unique way that strongly depends on tension and bending rigidity. Since in-plane and…

Mesoscale and Nanoscale Physics · Physics 2022-04-15 H. Liu , M. Lee , M. Šiškins , H. S. J. van der Zant , P. G. Steeneken , G. J. Verbiest

While using first-principles-based Boltzmann transport equation approach to predict the thermal conductivity of crystalline semiconductor materials has been a routine, the validity of the approach is seldom tested for high-temperature…

Mesoscale and Nanoscale Physics · Physics 2020-03-05 Xiaokun Gu , Shouhang Li , Hua Bao

We calculate numerically the normal modes of vibrations in 3D jammed packings of soft spheres as a function of the packing fraction and obtain the energy diffusivity, a spectral measure of transport that controls sound propagation and…

Disordered Systems and Neural Networks · Physics 2013-05-29 Vincenzo Vitelli , Ning Xu , Matthieu Wyart , Andrea J. Liu , Sidney R. Nagel

Despite the ubiquity of applications of heat transport across nanoscale interfaces, including integrated circuits, thermoelectrics, and nanotheranostics, an accurate description of phonon transport in these systems remains elusive. Here we…

Mesoscale and Nanoscale Physics · Physics 2019-09-11 Georgios Varnavides , Adam S. Jermyn , Polina Anikeeva , Prineha Narang
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