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Understanding heat transport in semiconductors and insulators is of fundamental importance because of its technological impact in electronics and renewable energy harvesting and conversion. Anharmonic Lattice Dynamics provides a powerful…

材料科学 · 物理学 2020-10-13 Giuseppe Barbalinardo , Zekun Chen , Nicholas W. Lundgren , Davide Donadio

In this work, the effect of electron-phonon (e-ph) coupling on both electron and phonon transport of metals is investigated via first principles calculations. A Monte-Carlo (MC) approach for solving the coupled electron-phonon Boltzmann…

材料科学 · 物理学 2024-02-14 Jie Peng , W. Ryan Deskins , Maria Helena Braga , Anter El-Azab

We compute the transient dynamics of phonons in contact with high energy "hot" charge carriers in 12 polar and non-polar semiconductors, using a first-principles Boltzmann transport framework. For most materials, we find that the decay in…

介观与纳米尺度物理 · 物理学 2017-10-03 Sridhar Sadasivam , Maria K. Y. Chan , Pierre Darancet

The predictive modeling of lattice thermal conductivity is of fundamental importance for the understanding and design of materials for a wide range of applications. Two major approaches, namely molecular dynamics (MD) simulations and…

材料科学 · 物理学 2019-08-14 Marcello Puligheddu , Yi Xia , Maria K. Y. Chan , Giulia Galli

In this study, we use the transient thermal grating optical technique \textemdash a non-contact, laser-based thermal metrology technique with intrinsically high accuracy \textemdash to investigate room-temperature phonon-mediated thermal…

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…

介观与纳米尺度物理 · 物理学 2020-03-05 Xiaokun Gu , Shouhang Li , Hua Bao

Phonon size effects induce ballistic transport in nanomaterials, challenging Fourier's law. Nondiffusive heat transport is captured by the Peierls-Boltzmann transport equation (BTE), commonly solved under the relaxation time approximation…

介观与纳米尺度物理 · 物理学 2020-03-10 Giuseppe Romano

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…

材料科学 · 物理学 2016-01-13 Giuseppe Romano , Keivan Esfarjani , David A. Strubbe , David Broido , Alexie M. Kolpak

Exact assessment of thermal spreading resistance is of great importance to the thermal management of electronic devices, especially when completely considering the heat conduction process from the nanoscale heat source to the macroscopic…

材料科学 · 物理学 2022-08-11 Han-Ling Li , Yang Shen , Yu-Chao Hua , S. L. Sobolev , Bing-Yang Cao

An efficient implicit kinetic scheme is developed to solve the stationary phonon Boltzmann transport equation (BTE) based on the non-gray model including the phonon dispersion and polarization. Due to the wide range of the dispersed phonon…

计算物理 · 物理学 2018-06-08 Chuang Zhang , Songze Chen , Zhaoli Guo

Heat transport in nanoscale systems is both hard to measure microscopically, and hard to interpret. Ballistic and diffusive heat flow coexist, adding confusion. This paper looks at a very simple case: a nanoscale crystal repeated…

介观与纳米尺度物理 · 物理学 2015-07-01 Philip B. Allen

In crystals, macroscopic technological properties such as thermal conductivity originate from the microscopic drift and scattering of phonons, commonly described by the Boltzmann Transport Equation (BTE). Despite its widespread use, the…

材料科学 · 物理学 2026-03-18 Enrico Di Lucente , Nicola Marzari , Michele Simoncelli

Hierarchical material nanostructuring is considered to be a very promising direction for high performance thermoelectric materials. In this work we investigate thermal transport in hierarchically nanostructured silicon. We consider the…

介观与纳米尺度物理 · 物理学 2018-10-17 Dhritiman Chakraborty , Samuel Foster , Neophytos Neophytou

Prior experimental studies showed that nanowires are promising structures for improving the thermoelectric performance of practical thermoelectric materials due to the strongly induced phonon-boundary scattering. However, few studies…

介观与纳米尺度物理 · 物理学 2017-09-13 Lei Ma , Riguo Mei , Mengmeng Liu , Xuxin Zhao , Qixing Wu , Hongyuan Sun

The effects of very low temperature on the electron transport in a [110] and [100] axially aligned unstrained silicon nanowires (SiNWs) are investigated. A combination of semi-empirical 10-orbital tight-binding method, density functional…

介观与纳米尺度物理 · 物理学 2025-01-03 Daryoush Shiri , Reza Nekovei , Amit Verma

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…

介观与纳米尺度物理 · 物理学 2014-10-20 Giuseppe Romano , Jeffrey C. Grossman

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…

材料科学 · 物理学 2011-12-12 A. A. Maznev , Jeremy A. Johnson , Keith A. Nelson

Nanostructured materials enable high thermal transport tunability, holding promises for thermal management and heat harvesting applications. Predicting the effect that nanostructuring has on thermal conductivity requires models, such as the…

材料科学 · 物理学 2021-10-19 S. Aria Hosseini , Sarah Khanniche , P. Alex Greaney , Giuseppe Romano

We present a general coupled electron-phonon Boltzmann transport equations (BTEs) scheme designed to capture the mutual drag of the two interacting systems. By combining density functional theory based first principles calculations of…

材料科学 · 物理学 2020-02-19 Nakib H. Protik , David A. Broido

The phonon Boltzmann transport equation (BTE) is a powerful tool for studying non-diffusive thermal transport. Here, we develop a new universal variational approach to solving the BTE that enables extraction of phonon mean free path (MFP)…

介观与纳米尺度物理 · 物理学 2016-04-13 Vazrik Chiloyan , Lingping Zeng , Samuel Huberman , Alexei A. Maznev , Keith A. Nelson , Gang Chen