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The length dependence of the thermal conductivity over more than two decades is systematically studied for a range of materials, interatomic potentials and temperatures, by the atomistic approach-to-equilibrium molecular dynamics method…

计算物理 · 物理学 2016-08-10 Hayat Zaoui , Pier Luca Palla , Fabrizio Cleri , Evelyne Lampin

Thermal switching materials, whose thermal conductivity can be controlled externally, show great potential in contemporary thermal management. Manipulating thermal transport properties through magnetic fields has been accomplished in…

A fundamental understanding of phonon transport in stanene is crucial to predict the thermal performance in potential stanene-based devices. By combining first-principle calculation and phonon Boltzmann transport equation, we obtain the…

材料科学 · 物理学 2016-02-23 Bo Peng , Hao Zhang , Hezhu Shao , Yuchen Xu , Xiangchao Zhang , Heyuan Zhu

Topological phase transitions occur when the electronic bands change their topological properties, typically featuring the closing of the bandgap. While the influence of topological phase transitions on electronic and optical properties has…

材料科学 · 物理学 2021-01-04 Shengying Yue , Bowen Deng , Yanming Liu , Yujie Quan , Runqing Yang , Bolin Liao

We have shown theoretically that a combination of cross-section modulation and acoustic mismatch in the core-shell Si/Ge nanowires can lead to a drastic reduction of the thermal conductivity. Our calculations, which utilized two different…

介观与纳米尺度物理 · 物理学 2015-06-16 Denis L. Nika , Alexandr I. Cocemasov , Dmitrii V. Crismari , Alexander A. Balandin

We provide a theoretical framework for the development of a solid-state thermal rectifier through a confinement in the available population of phonons on one side of an asymmetrically graded film stack. Using a modification of the phonon…

介观与纳米尺度物理 · 物理学 2020-02-26 Brian F. Donovan , Ronald J. Warzoha

Equilibrium molecular dynamics (EMD) simulations through Green-Kubo formula (GKF) have been widely used in the study of thermal conductivity of various materials. However, there exist controversial simulation results which have huge…

统计力学 · 物理学 2015-05-19 Jie Chen , Gang Zhang , Baowen Li

We report data on the thermal conductivity \kappa(T,H) in the basal plane of hexagonal single-crystalline and superconducting Mg(B_{1-x}C_x)_2 (x= 0.03, 0.06) at temperatures between 0.5 and 50 K, and in external magnetic fields H between 0…

超导电性 · 物理学 2007-05-23 A. V. Sologubenko , N. D. Zhigadlo , S. M. Kazakov , J. Karpinski , H. R. Ott

A Stillinger-Weber interatomic potential is parameterized for phosphorene. It well reproduces the crystal structure, cohesive energy and phonon dispersion predicted by first-principles calculations. The thermal conductivity of phosphorene…

介观与纳米尺度物理 · 物理学 2015-10-19 Wen Xu , Liyan Zhu , Yongqing Cai , Gang Zhang , Baowen Li

In this work we study the energy transport in a one-dimensional system composed of two dissimilar Frenkel-Kontorova lattices connected by a time-modulated coupling and in contact with two heat reservoirs operating at different temperature…

统计力学 · 物理学 2021-03-03 M. Romero-Bastida

The world communicates to our senses of vision, hearing and touch in the language of waves, as the light, sound, and even heat essentially consist of microscopic vibrations of different media. The wave nature of light and sound has been…

介观与纳米尺度物理 · 物理学 2018-02-06 Jeremie Maire , Roman Anufriev , Ryoto Yanagisawa , Aymeric Ramiere , Sebastian Volz , Masahiro Nomura

The impact of lattice type, period, porosity and thickness of two-dimensional silicon phononic crystals on the reduction of thermal conductance by coherent modification of phonon dispersion is investigated using the theory of elasticity and…

介观与纳米尺度物理 · 物理学 2016-01-20 Roman Anufriev , Masahiro Nomura

The last years saw a renewal of interest for hypersonic research in general and regenerative cooling specifically, with a large increase of the number of dedicated facilities and technical studies. In order to quantify the heat transfer in…

The phonon contribution to the thermal conductivity at low temperature in superconductors with line nodes is calculated assuming that scattering by both nodal quasiparticles and the sample boundaries is significant. It is determined that,…

超导电性 · 物理学 2007-05-23 M. F. Smith

The inelastic nature of 3-phonon processes is investigated within the framework of perturbation theory and linearized Boltzmann Transport Equation. By considering the energy conservation rule governing this type of interactions in a…

材料科学 · 物理学 2017-09-07 Ahmed Hamed , Anter El-Azab

Using the linearized Boltzmann transport equation and perturbation theory, we analyze the reduction in the intrinsic thermal conductivity of few-layer graphene sheets accounting for all possible three-phonon scattering events. Even with…

介观与纳米尺度物理 · 物理学 2015-05-28 Dhruv Singh , Jayathi Y. Murthy , Timothy S. Fisher

Interfaces play a crucial role in energy transport at the nanoscale. However, direct experimental observations of interfacial thermal conductance across molecular junctions have remained challenging due to the high spatiotemporal resolution…

化学物理 · 物理学 2025-12-23 Md. Shahriar Hossain Shuvo , Xing He , Mithun Ghosh , Ding-Shyue Yang

Phonon properties of $\mathrm{Mo_3Sb_{7-x}Te_x}$ ($x=0,1.5, 1.7$), a potential high-temperature thermoelectric material, have been studied with inelastic neutron and x-ray scattering, and with first-principles simulations. The substitution…

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…

We find that introducing segmented isotopic disorder patterns may considerably reduce the thermal conductivity of pristine carbon nanotubes below the uncorrelated disorder value. This is a result of the interplay between different length…

材料科学 · 物理学 2015-05-14 Gabriel Stoltz , Natalio Mingo , Francesco Mauri