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The phonon thermal transport properties of twisted bi-layer graphene are investigated using lattice dynamics and the Boltzmann transport equation. The thermal conductivities of 13.2 and 21.8 twisted configurations are 56% and 36% lower than…

Mesoscale and Nanoscale Physics · Physics 2023-11-07 Shahid Ahmed , Shadab Alam , Ankit Jain

The material dependence of phonon-polariton based in-plane thermal conductance is investigated by examining systems composed of air and several wurtzite and zinc-blende crystals. Phonon-polariton based thermal conductance varies by over an…

Materials Science · Physics 2023-10-05 Jacob D. Minyard , Thomas E. Beechem

Fast and accurate predictions of the spatiotemporal distributions of temperature are crucial to the multi-scale thermal management and safe operation of microelectronic devices. To realize it, an efficient semi-implicit Lax-Wendroff kinetic…

Computational Physics · Physics 2024-12-04 Shuang Peng , Songze Chen , Hong Liang , Chuang Zhang

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

Phonon transport of recently-fabricated $\mathrm{Na_2He}$ at high pressure is investigated from a combination of first-principles calculations and the linearized phonon Boltzmann equation within the single-mode relaxation time approximation…

Materials Science · Physics 2017-05-24 San-Dong Guo , Ai-Xia Zhang

The transmission of acoustic phonons is an important element in the design and performance of nano-mechanical devices operating in the mesoscopic limit. Analytic expressions for the power transmission coefficient, T, exist only in the…

Applied Physics · Physics 2019-03-27 John Bartlett , Karwan Rostem , Edward Wollack

In a typical semiconductor material, the majority of heat is carried by long wavelength, long mean-free-path phonons. Nanostructuring strategies to reduce thermal conductivity, a promising direction in the field of thermoelectrics, place…

Mesoscale and Nanoscale Physics · Physics 2024-05-08 Alex Greaney , S. Aria Hosseini , Laura de Sousa Oliveira , Alathea Davies , Neophytos Neophytou

Surface scattering is the key limiting factor to thermal transport in dielectric crystals as the length scales are reduced or when temperature is lowered. To explain this phenomenon, it is commonly assumed that the mean free paths of heat…

Materials Science · Physics 2017-08-17 Andrea Cepellotti , Nicola Marzari

Recently, there have been increasing interests in phonon thermal transport in low dimensional materials, due to the crucial importance for dissipating and managing heat in micro and nano electronic devices. Significant progresses have been…

Mesoscale and Nanoscale Physics · Physics 2017-01-12 Xiangfan Xu , Jie Chen , Baowen Li

Transient grating spectroscopy has emerged as a useful technique to study thermal phonon transport because of its ability to perform thermal measurements over length scales comparable to phonon mean free paths (MFPs). While several prior…

Mesoscale and Nanoscale Physics · Physics 2015-08-19 Austin J. Minnich

The diffusion of large databases collecting different kind of material properties from high-throughput density functional theory calculations has opened new paths in the study of materials science thanks to data mining and machine learning…

Materials Science · Physics 2018-01-04 Guido Petretto , Xavier Gonze , Geoffroy Hautier , Gian-Marco Rignanese

Mesoscopic numerical simulation has become an important tool in thermal management and energy harvesting at the micro/nano scale, where the Fourier's law failed. However, it is not easy to efficiently solve the phonon Boltzmann transport…

Computational Physics · Physics 2022-12-13 Chuang Zhang , Samuel Huberman , Xinliang Song , Jin Zhao , Songze Chen , Lei Wu

Inspired by the successful synthesis of several allotropes, boron sheets have been one of the hottest spot areas of focus in various fields. Here, we study phonon transport in three types of boron nanoribbons with zigzag and armchair edges…

Materials Science · Physics 2016-10-12 Zhongwei Zhang , Yuee Xie , Qing Peng , Yuanping Chen

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 work, using the scattering matrix method, we have investigated the transmission coefficients and the thermal conductivity in a double-bend waveguide structure. The transmission coefficients show strong resonances due to the…

Mesoscale and Nanoscale Physics · Physics 2007-10-05 Yi Ming , Zhexian Wang , Zejun Ding

Comprehensive understanding of thermal transport in nanostructured materials needs large scale simulations bridging length scales dictated by different physics related to the wave versus particle nature of phonons. Yet, available…

Mesoscale and Nanoscale Physics · Physics 2020-04-10 Dhritiman Chakraborty , Hossein Karamitaheri , Laura de Sousa Oliveira , Neophytos Neophytou

Using a full dispersion description of phonons, the thermal conductivities of bulk Si and Bi2Te3 are evaluated using a Landauer approach and related to the conventional approach based on the Boltzmann transport equation. A procedure to…

Materials Science · Physics 2010-11-18 Changwook Jeong , Supriyo Datta , Mark Lundstrom

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

Ballistic phonon effects, arising on length scales comparable to the mean-free-path, result in non-diffusive heat flow and alter the thermal properties of materials. Simple theoretical models that accurately capture non-diffusive transport…

Mesoscale and Nanoscale Physics · Physics 2017-06-28 Daniel Abarbanel , Jesse Maassen

Modifying phonon thermal conductivity in nanomaterials is important not only for fundamental research but also for practical applications. However, the experiments on tailoring the thermal conductivity in nanoscale, especially in…

Mesoscale and Nanoscale Physics · Physics 2018-02-27 Adili Aiyiti , Shiqian Hu , Chengru Wang , Qing Xi , Zhaofang Cheng , Minggang Xia , Yanling Ma , Jianbo Wu , Jie Guo , Qilang Wang , Jun Zhou , Jie Chen , Xiangfan Xu , Baowen Li