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Anharmonic lattice vibrations govern the thermal dynamics in materials and present how the atoms interact and how they conduct heat. An indepth understanding of the microscopic mechanism of phonon anharmonicity in condensed systems is…

Materials Science · Physics 2021-12-30 Bin Wei , Qiyang Sun , Chen Li , Jiawang Hong

Anomalous heat transport in one-dimensional nanostructures, such as nanotubes and nanowires, is a widely debated problem in condensed matter and statistical physics, with contradicting pieces of evidence from experiments and simulations.…

Mesoscale and Nanoscale Physics · Physics 2021-07-14 Giuseppe Barbalinardo , Zekun Chen , Haikuan Dong , Zheyong Fan , Davide Donadio

The concept of coherence is one of the fundamental phenomena in electronics and optics. In addition to electron and photon, phonon, is another important energy and information carrier in nature. Without any doubt, exploration of the phonon…

Mesoscale and Nanoscale Physics · Physics 2018-09-03 Guofeng Xie , Ding Ding , Gang Zhang

Utilizing atomistic lattice dynamics and scattering theory, we study thermal transport in nanodevices made of 10 nm thick silicon nanowires, from 10 to 100 nm long, sandwiched between two bulk reservoirs. We find that thermal transport in…

Materials Science · Physics 2013-05-08 Ivan Duchemin , Davide Donadio

Approach-to-equilibrium molecular dynamics simulations have been used to study thermal transport in nanocrystalline graphene sheets. Nanostructured graphene has been created using an iterative process for grain growth from initial seeds…

Materials Science · Physics 2015-11-26 Konstanze R. Hahn , Claudio Melis , Luciano Colombo

This review summarizes recent studies of thermal transport in nanoscaled semiconductors. Different from bulk materials, new physics and novel thermal properties arise in low dimensional nanostructures, such as the abnormal heat conduction,…

Mesoscale and Nanoscale Physics · Physics 2013-01-14 Nuo Yang , Xiangfan Xu , Gang Zhang , Baowen Li

The reduction of the thermal conductivity in nanostructures opens up the possibility of exploiting for thermoelectric purposes also materials such as silicon, which are cheap, available and sustainable but with a high thermal conductivity…

Mesoscale and Nanoscale Physics · Physics 2018-02-14 G. Pennelli , E. Dimaggio , M. Macucci

The anharmonicity of atomic motion limits the thermal conductivity in crystalline solids. However, a microscopic understanding of the mechanisms active in strong thermal insulators is lacking. In this letter, we classify 465 experimentally…

Materials Science · Physics 2023-06-14 Florian Knoop , Thomas A. R. Purcell , Matthias Scheffler , Christian Carbogno

Thermoelectrics are a promising class of materials for renewable energy owing to their capability to generate electricity from waste heat, with their performance being governed by a competition between charge and thermal transport. A…

Anisotropic nanomaterials possess interesting thermal transport properties because they allow orientation of heat fluxes along preferential directions due to a high ratio (up to three orders of magnitude) between their in-plane and…

Materials Science · Physics 2017-01-10 Mykola Isaiev , Oles Didukh , Tetyana Nychyporuk , Victor Timoshenko , Vladimir Lysenko

Predicting the thermal conductivity of glasses from first principles has hitherto been a prohibitively complex problem. In fact, past works have highlighted challenges in achieving computational convergence with respect to length and/or…

Materials Science · Physics 2022-09-23 Michele Simoncelli , Francesco Mauri , Nicola Marzari

Thermal conductivity measurements over variable lengths on nanostructures such as nanowires provide important information about the mean free paths (MFPs) of the phonons responsible for heat conduction. However, nearly all of these…

Mesoscale and Nanoscale Physics · Physics 2015-02-23 Hang Zhang , Chengyun Hua , Ding Ding , Austin J. Minnich

Separating electron and phonon thermal conductivity components is imperative for understanding the principle thermal transport mechanisms in metals and highly desirable in many applications. In this work, we predict the mode-dependent…

Materials Science · Physics 2019-10-23 Zhen Tong , Shouhang Li , Xiulin Ruan , Hua Bao

First-principles prediction of thermal conductivity and radiative properties is crucial. However, computing phonon scattering, especially for four-phonon scattering, could be prohibitively expensive, and the thermal conductivity even for…

Materials Science · Physics 2023-11-23 Ziqi Guo , Zherui Han , Dudong Feng , Guang Lin , Xiulin Ruan

The lattice thermal conductivity of crystalline Si nanowires is calculated. The calculation uses complete phonon dispersions, and does not require any externally imposed frequency cutoffs. No adjustment to nanowire thermal conductivity…

Materials Science · Physics 2007-05-23 N. Mingo

It has been proposed for a long time now that the reduction of the thermal conductivity by reducing the phonon mean free path is one of the best way to improve the current performance of thermoelectrics. By measuring the thermal conductance…

The thermal conductivity of a nanostructure is sensitive to its dimensions. A simple analytical scaling law that predicts how conductivity changes with the dimensions of the structure, however, has not been developed. The lack of such a law…

Materials Science · Physics 2012-06-26 X. W. Zhou , R. E. Reese

Amorphous materials are also distinguished from crystals by their thermal properties. The structural disorder seems to be responsible both for a significant increase in heat capacity compared to crystals of the same composition, but also…

Disordered Systems and Neural Networks · Physics 2023-07-28 Anne Tanguy

The phonon thermal conductivity of semiconducting periodic solids can be obtained using the lattice dynamics calculations along with the Boltzmann transport equation and with input from density functional theory calculations. These…

Mesoscale and Nanoscale Physics · Physics 2025-05-30 Ankit Jain , Yagyank Srivastava , Amey G. Gokhale , Nidheesh Virakante , Hardik L. Kagdada

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…