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We present a general harmonic theory for the temperature dependence of phonon-renormalized properties of solids. Firstly, we formulate a perturbation theory in phonon-phonon interactions to calculate the phonon renormalization of physical…

Materials Science · Physics 2015-10-28 Bartomeu Monserrat , G. J. Conduit , R. J. Needs

One central challenge in understanding phonon thermal transport is a lack of experimental tools to investigate mode-based transport information. Although recent advances in computation lead to mode-based information, it is hindered by…

Understanding and quantifying the fundamental physical property of coherence of thermal excitations is a long-standing and general problem in physics. The conventional theory, i.e. the phonon gas model, fails to describe coherence and its…

Computational Physics · Physics 2022-01-11 Zhongwei Zhang , Yangyu Guo , Marc Bescond , Jie Chen , Masahiro Nomura , Sebastian Volz

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

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

The heat transfer performance of Plate Fin Heat Sink (PFHS) has been investigated experimentally and extensively. Commonly, the objective function of the PFHS design is based on the responses of simulations. Compared with existing studies,…

Computational Engineering, Finance, and Science · Computer Science 2019-02-22 Yu Li , Hu Wang , Xinjian Deng

Structuring materials is one mechanism to influence the thermal conductivity and thus thermoelectric efficiency. In order to investigate the scattering of phonons in multilayer structures we developed a beam matching technique, which is…

Mesoscale and Nanoscale Physics · Physics 2015-12-08 Debanjan Basu , Peter Blöchl

The mechanism of heat transfer and the contribution of electron-phonon coupling to thermal conductance of a metal-semiconductor interface remains unclear in the present literature. We report ab initio simulations of a technologically…

Materials Science · Physics 2015-04-07 Sridhar Sadasivam , Umesh V. Waghmare , Timothy S. Fisher

Phonon reflection and transmission at the interfaces plays a fundamental role in cryogenic particle detectors, in which the optimization of the phonon signal at the sensor (in case of phonon-mediated detectors) or the minimization of the…

Instrumentation and Detectors · Physics 2019-06-19 M. Martinez , L. Cardani , N. Casali , A. Cruciani , G. Pettinari , M. Vignati

In nonmetallic crystals, heat is transported by phonons of different frequencies, each contributing differently to the overall heat flux spectrum. In this study, we demonstrate a significant redistribution of heat flux among phonon…

Mesoscale and Nanoscale Physics · Physics 2024-09-23 Haoran Cui , Theodore Maranets , Tengfei Ma , Yan Wang

This paper is devoted to the study of photothermal transformations in multilayered structures. As a modelled sample, porous silicon with a periodic distribution of the porosity was chosen. The spatial distribution of the optical properties…

Materials Science · Physics 2019-07-11 K. Dubyk , L. Chepela , P. Lishchuk , A. Belarouci , D. Lacroix , M. Isaiev

Previous researches only reported very small interfacial thermal resistances at room temperature due to limitations in sample combinations and methods. Taking cognizance of the importance of mismatched phonon structures, we report values up…

Materials Science · Physics 2019-04-30 Yan Yin , Busheng Wang , Jin Chen , Jiyong Yao , Wenlong Wang , Li Wang , Huaizhou Zhao , Wuming Liu , Xuedong Bai

Recent experiments have indicated that employing nanostructures can enhance interfacial heat transport, but the mechanism by which different structural morphologies and dimensions contribute to the full-spectrum phonon interfacial transport…

Fluid Dynamics · Physics 2024-06-28 Wenzhu Luo , Neng Wang , Wenlei Lian , Ershuai Yin , Qiang Li

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…

Mesoscale and Nanoscale Physics · Physics 2017-10-03 Sridhar Sadasivam , Maria K. Y. Chan , Pierre Darancet

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

Some of the most exciting recent advancements in heat conduction physics have been motivated, enabled, or achieved by the thermal management community that ITherm serves so effectively. In this paper we highlight the resulting renaissance…

Applied Physics · Physics 2018-07-31 Aditya Sood , Eric Pop , Mehdi Asheghi , Kenneth E. Goodson

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

The problem of heat conduction in one-dimensional piecewise homogeneous composite materials is examined by providing an explicit solution of the one-dimensional heat equation in each domain. The location of the interfaces is known, but…

Numerical Analysis · Mathematics 2016-12-23 Natalie E. Sheils

Understanding the mechanisms of thermal conduction in graphene is a long-lasting research topic, due to its high thermal conductivity. Peierls-Boltzmann transport equation (PBTE) based studies have revealed many unique phonon transport…

Materials Science · Physics 2019-08-14 Xiaokun Gu , Zheyong Fan , Hua Bao , C. Y. Zhao

Graphene exhibits extraordinary electronic and mechanical properties, and extremely high thermal conductivity. Being a very stable atomically thick membrane that can be suspended between two leads, graphene provides a perfect test platform…