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The thermal conductivity of nanometric objects or nanostructured materials can be determined using non equilibrium molecular dynamics (NEMD) simulations. The technique is simple in its principle, and resembles a numerical guarded hot plate…

Materials Science · Physics 2007-05-23 Patrice Chantrenne , Jean-Louis Barrat

First-principles prediction of lattice thermal conductivity $\kappa_L$ of strongly anharmonic crystals is a long-standing challenge in solid state physics. Making use of recent advances in information science, we propose a systematic and…

Materials Science · Physics 2015-11-17 Fei Zhou , Weston Nielson , Yi Xia , Vidvuds Ozolins

We study the problem of heat conduction in a mass-disordered two-dimensional harmonic crystal. Using two different stochastic heat baths, we perform simulations to determine the system size (L) dependence of the heat current (J). For white…

Disordered Systems and Neural Networks · Physics 2009-11-10 Lik Wee Lee , Abhishek Dhar

Heterostructures consisting of alternating GaN/AlN epitaxial layers represent the building-blocks of state-of-the-art devices employed for active cooling and energy-saving lightning. Insights into the heat conduction of these structures are…

Non-Fourier heat conduction models assume wave-like behavior does exist in the heat conduction process. Based on this wave-like behavior, thermal conduction controlled in a one-dimensional periodical structure, named thermal wave crystal,…

Materials Science · Physics 2017-08-01 A-Li Chen , Zheng-Yang Li , Tian-Xue Ma , Xiao-Shuang Li , Yue-Sheng Wang

We describe a theoretical and computational approach to calculate the vibrational, elastic, and thermal properties of materials from the low-temperature quantum regime to the high-temperature anharmonic regime. This approach is based on…

Materials Science · Physics 2024-09-20 Dylan A. Folkner , Zekun Chen , Giuseppe Barbalinardo , Florian Knoop , Davide Donadio

Heat conduction of single-walled carbon nanotubes (SWNTs) isotope-superlattice is investigated by means of classical molecular dynamics simulations. Superlattice structures were formed by alternately connecting SWNTs with different masses.…

Materials Science · Physics 2009-11-11 Junichiro Shiomi , Shigeo Maruyama

We study thermalization and thermal transport in single crystals of CsV$_3$Sb$_5$ through the CDW transition by directly measuring thermal diffusivity ($D$), thermal conductivity ($\kappa$), resistivity ($\rho$), and specific heat ($c$).…

We establish a connection between anomalous heat conduction and anomalous diffusion in one dimensional systems. It is shown that if the mean square of the displacement of the particle is $<\Delta x^2> =2Dt^{\alpha} (0<\alpha\le 2)$, then…

Statistical Mechanics · Physics 2009-11-10 Baowen Li , Jiao Wang

An inverse problem for a stationary heat transfer process is studied for a totally isolated bar on its lateral surface, made up of two consecutive sections of different, isotropic and homogeneous materials, perfectly assembly, where one of…

Analysis of PDEs · Mathematics 2021-05-28 Guillermo Federico Umbricht , Diana Rubio , Domingo Alberto Tarzia

We study heat conduction in a one-dimensional chain of particles with longitudinal as well as transverse motions. The particles are connected by two-dimensional harmonic springs together with bending angle interactions. The problem is…

Statistical Mechanics · Physics 2009-11-10 Jian-Sheng Wang , Baowen Li

Heat conduction in three types of 1D channels are studied. The channels consist of two parallel walls, right triangles as scattering obstacles, and noninteracting particles. The triangles are placed along the walls in three different ways:…

Statistical Mechanics · Physics 2009-11-07 Baowen Li , Lei Wang , Bambi Hu

We investigate the heat conduction properties of molecular junctions comprising anharmonic interactions. We find that nonlinear interactions can lead to novel phenomena: it negative differential thermal conductance and heat rectification.…

Soft Condensed Matter · Physics 2009-11-11 Dvira Segal

The thermodynamics of low-dimensional systems departs significantly from phenomenologically deducted macroscopic laws. Particular examples, not yet fully understood, are provided by the breakdown of Fourier's law and the ballistic transport…

Atomic Physics · Physics 2023-10-11 L. Timm , H. Weimer , L. Santos , T. E. Mehlstäubler

Thermal conductivities are routinely calculated in molecular dynamics simulations by keeping the boundaries at different temperatures and measuring the slope of the temperature profile in the bulk of the material, explicitly using Fourier's…

Statistical Mechanics · Physics 2021-04-13 Yuanyang Ren , Kai Wu , David Cubero

We consider coherent radiative thermal conductance of a multilayer photonic crystal. The crystal consists of alternating layers of lossless dielectric slabs and vacuum, where heat is conducted only through photons. We show that such a…

Materials Science · Physics 2009-11-13 Wah Tung Lau , Jung-Tsung Shen , Georgios Veronis , Paul Braun , Shanhui Fan

The thermal conductivities of beta-Ga2O3 single crystals along four different crystal directions were measured in the temperature range of 80-495K using the time domain thermoreflectance (TDTR) method. A large anisotropy was found. At room…

We conducted Monte Carlo simulations to analyze the percolation transition of a non-symmetric loop model on a regular three-dimensional lattice. We calculated the critical exponents for the percolation transition of this model. The…

Statistical Mechanics · Physics 2025-02-18 Soumya Kanti Ganguly , Sumanta Mukherjee , Chandan Dasgupta

There has been much interest in semiconductor superlattices because of showing very low thermal conductivities. This makes them especially suitable for applications in a variety of devices for thermoelectric generation of energy, heat…

Statistical Mechanics · Physics 2020-02-06 Federico Vázquez , Péter Ván , Róbert Kovács

We studied the phononic heat transfer through an atomic dielectric wire with both infinite and finite lengths by using a model Hamiltonian approach. At low temperature under ballistic transport, the thermal conductance contributed by each…

Condensed Matter · Physics 2009-10-31 A. Buldum , S. Ciraci , C. Y. Fong