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We perform molecular dynamics (MD) simulations with phonon spectral analysis aiming at understanding the two dimensional (2D) thermal transport in suspended and supported graphene. Within the framework of equilibrium MD simulations, we…

Mesoscale and Nanoscale Physics · Physics 2015-06-03 Bo Qiu , Xiulin Ruan

Results of in-plane and out-of-plane thermal conductivity measurements on $\rm La_{1.8-x}Eu_{0.2}Sr_xCuO_4$ ($0\leq x\leq0.2$) single crystals are presented. The most characteristic features of the temperature dependence are a pronounced…

Superconductivity · Physics 2016-08-16 C. Hess , B. Büchner , U. Ammerahl , A. Revcolevschi

We study nondiffusive thermal transport by phonons at small distances within the framework of the Boltzmann transport equation (BTE) and demonstrate that the transport is significantly affected by the distribution of phonons emitted by the…

Mesoscale and Nanoscale Physics · Physics 2017-10-05 Vazrik Chiloyan , Samuel Huberman , Alexei A. Maznev , Keith A. Nelson , Gang Chen

The hydrodynamic phonon transport was studied several decades ago for verifying the quantum theory of lattice thermal transport. Recent prediction of significant hydrodynamic phonon transport in graphitic materials shows its practical…

Mesoscale and Nanoscale Physics · Physics 2019-03-15 Sangyeop Lee , Xun Li

In this article, we address lattice heat transport in single-walled carbon nanotubes (CNTs) by a quantum mechanical calculation of three-phonon scattering rates in the framework of the Boltzmann transport equation (BTE) and classical…

Mesoscale and Nanoscale Physics · Physics 2020-05-06 Daniel Bruns , Alireza Nojeh , A. Srikantha Phani , Jörg Rottler

Phonon heat transport in mesoscopic systems is investigated using methods analogous to the Landauer description of electrical conductance. A "universal heat conductance" expression that depends on the properties of the conducting pathway…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 D. E. Angelescu , M. C. Cross , M. L. Roukes

Understanding ballistic phonon transport effects in transient thermoreflectance experiments and explaining the observed deviations from classical theory remains a challenge. Diffusion equations are simple and computationally efficient but…

Mesoscale and Nanoscale Physics · Physics 2016-03-23 Jesse Maassen , Mark Lundstrom

We present a detailed study of the charge transport, optical reflectivity, and thermal transport properties of n-type PbSe crystals. A strong scattering, mobility-limiting mechanism was revealed to be at play at temperatures above 500 K.…

Hydrodynamic phonon transport phenomena, like second sound, have been observed in liquid Helium more than 50 years ago. More recently second sound has been observed in graphite at over 200 K using transient thermal grating techniques. In…

Mesoscale and Nanoscale Physics · Physics 2024-03-13 Laurenz Kremeyer , Tristan L. Britt , Bradley J. Siwick , Samuel C. Huberman

As nanostructured devices become prevalent, interfaces often play an important role in thermal transport phenomena. However, interfacial thermal transport remains poorly understood due to complex physics across a wide range of length scales…

Mesoscale and Nanoscale Physics · Physics 2024-02-27 Xun Li , Jinchen Han , Sangyeop Lee

We thoroughly investigate the microscopic mechanisms of the thermal transport in orthorhombic \textit{o}-CsCu$_5$S$_3$ by integrating the first-principles-based self-consistent phonon calculations (SCP) with the linearized Wigner transport…

Materials Science · Physics 2024-04-17 Jincheng Yue , Jiongzhi Zheng , Junda Li , Siqi Guo , Wenling Ren , Han Liu , Yanhui Liu , Tian Cui

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

Excitations and scatterings among the quantized lattice vibrations, i.e., phonons, govern the lattice thermal conductivity ($\kappa_l$) in crystalline solids. Therefore, effective modulation of $\kappa_l$ can be achieved through selective…

Materials Science · Physics 2025-07-09 Jyoti Duhan , Chris Wolverton , Koushik Pal

The impact of point defects on thermal transport in uranium nitride (UN) is investigated using a MLIP combined with Green-Kubo (GK) and normal mode analysis (NMA) methods over 300-1500 K. In pristine UN, temperature-dependent calculations…

Materials Science · Physics 2026-05-19 Beihan Chen , Marat Khafizov , Zilong Hua , David H. Hurley , Miaomiao Jin

Although extensive experimental and theoretical works have been conducted to understand the ballistic and diffusive phonon transport in nanomaterials recently, direct observation of temperature and thermal nonequilibrium of different phonon…

Mesoscale and Nanoscale Physics · Physics 2017-05-17 Tianli Feng , Wenjun Yao , Zuyuan Wang , Jingjing Shi , Chuang Li , Bingyang Cao , Xiulin Ruan

The anharmonic phonon properties of type-I filled inorganic clathrates Ba8 Ga16 Ge30 and Sr8 Ga16 Ge30 are obtained from the first-principles calculations by considering the temperature-dependent sampling of the potential energy surface and…

Materials Science · Physics 2022-02-16 Shravan Godse , Yagyank Srivastava , Ankit Jain

We calculate the thermal conductivity of free-standing silicene using the phonon Boltzmann transport equation within the relaxation time approximation. In this calculation, we investigate the effects of sample size and different scattering…

Mesoscale and Nanoscale Physics · Physics 2018-04-18 M. Barati , T. Vazifehshenas , T. Salavati-fard , M. Farmanbar

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

It is textbookly regarded that phonons, i.e., an energy quantum of propagating lattice waves, are the main heat carriers in perfect crystals. As a result, in many crystals, e.g., bulk silicon, the temperature-dependent thermal conductivity…

Materials Science · Physics 2020-09-18 Yanguang Zhou , Yufei Gao , Sebastian Volz

We investigated theoretically the phonon thermal conductivity of single layer graphene. The phonon dispersion for all polarizations and crystallographic directions in graphene lattice was obtained using the valence-force field method. The…

Materials Science · Physics 2009-04-08 D. L. Nika , E. P. Pokatilov , A. S. Askerov , A. A. Balandin