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Interfaces impede heat flow in micro/nanostructured systems. Conventional theories for interfacial thermal transport were derived based on bulk phonon properties of the materials making up the interface without explicitly considering the…

We present an \emph{ab initio} study of the role of interference effects in the thermal conductance of single-molecule junctions. To be precise, using a first-principles transport method based on density functional theory, we analyze the…

Mesoscale and Nanoscale Physics · Physics 2017-12-27 J. C. Klöckner , J. C. Cuevas , F. Pauly

In this paper, we study the thermal rectification in asymmetric U-shaped graphene flakes by using nonequilibrium molecular dynamics simulations. The graphene flakes are composed by a beam and two arms. It is found that the heat flux runs…

Materials Science · Physics 2015-05-30 Jigger Cheh , Hong Zhao

The enhancement of thermoelectric figure of merit ZT requires to either increase the power factor or reduce the phonon conductance, or even both. In graphene, the high phonon thermal conductivity is the main factor limiting the…

Mesoscale and Nanoscale Physics · Physics 2016-09-19 Van-Truong Tran , Jérôme Saint-Martin , Philippe Dollfus , Sebastian Volz

The Young's modulus of graphene is investigated through the intrinsic thermal vibration in graphene which is `observed' by molecular dynamics, and the results agree quite well with the recent experiment [Science \textbf{321}, 385 (2008)].…

Materials Science · Physics 2009-09-24 Jin-Wu Jiang , Jian-Sheng Wang , Baowen Li

Current understanding of thermal rectification asserts that the rectification ratio (R), which measures the relative heat flux between two ends of a nanostructure, is determined by its geometric asymmetry. The higher the asymmetry, the…

Mesoscale and Nanoscale Physics · Physics 2016-03-25 Zhongwei Zhang , Yuanping Chen , Yuee Xie , Shengbai Zhang

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 thermal transport across metal-insulator interface can be characterized by electron-phonon interaction through which an electron lead is coupled to a phonon lead if phonon-phonon coupling at the interface is very weak. We investigate…

Materials Science · Physics 2013-10-17 Lifa Zhang , Jing-Tao Lü , Jian-Sheng Wang , Baowen Li

Using non-equilibrium molecular dynamics (NEMD) simulation, we study thermal properties of the so-called nanoporous graphene (NPG) sheet which contains a series of nanoporous in an ordered way and was synthesized recently (Science 360…

Computational Physics · Physics 2021-07-29 Farrokh Yousefi , Farhad Khoeini , Ali Rajabpour

The thermal conductivity of solid SF6, CHCI3, C6H6, and CCl4 was investigated by the linear-flow method under saturated vapor pressures in the temperature range from 80 K to the corresponding melting temperatures and then recalculated for a…

Disordered Systems and Neural Networks · Physics 2007-05-23 V. A. Konstantinov , O. I. Purskii , N. N. Zholonko

The radial thermal rectification in the concentric silicon ring from ballistic to diffusive regime is investigated based on the phonon Boltzmann transport equation. In the ballistic and diffusive limits, the analytical solutions prove that…

Mesoscale and Nanoscale Physics · Physics 2019-10-11 Chuang Zhang , Songze Chen , Zhaoli Guo

We present a comprehensive and systematic study of thermal rectification in a prototypical low-dimensional quantum system -- a non-linear resonator: we identify necessary conditions to observe thermal rectification and we discuss strategies…

Mesoscale and Nanoscale Physics · Physics 2021-05-12 Bibek Bhandari , Paolo Andrea Erdman , Rosario Fazio , Elisabetta Paladino , Fabio Taddei

Thermal conductivity is a critical material property in numerous applications, such as those related to thermoelectric devices and heat dissipation. Effectively modulating thermal conductivity has become a great concern in the field of heat…

Materials Science · Physics 2023-04-06 Xiao Wan , Dongkai Pan , Jing-Tao Lü , Sebastian Volz , Lifa Zhang , Qing Hao , Yangjun Qin , Zhicheng Zong , Nuo Yang

We study ballistic thermal transport in three-terminal atomic nanojunctions by the nonequilibrium Green's function method. We find that there is ballistic thermal rectification in asymmetric three-terminal structures because of the…

Mesoscale and Nanoscale Physics · Physics 2010-03-29 Lifa Zhang , Jian-Sheng Wang , Baowen Li

We examine anharmonic contributions to the optical phonon modes in bulk $T_d$-MoTe$_2$ through temperature-dependent Raman spectroscopy. At temperatures ranging from 100 K to 200 K, we find that all modes redshift linearly with temperature…

Materials Science · Physics 2016-07-20 Jaydeep Joshi , Iris Stone , Ryan Beams , Sergiy Krylyuk , Irina Kalish , Albert Davydov , Patrick Vora

Thermal rectification is observed in jointless Pb wires at temperatures near the superconducting transition of Pb under magnetic fields. Using different magnetic-field (H) response of temperature dependence of thermal conductivity…

Superconductivity · Physics 2025-10-02 Masayuki Mashiko , Poonam Rani , Yuto Watanabe , Yoshikazu Mizuguchi

Thermal properties of graphene monolayers are studied by path-integral molecular dynamics (PIMD) simulations, which take into account the quantization of vibrational modes in the crystalline membrane, and allow one to consider anharmonic…

Materials Science · Physics 2017-09-18 Carlos P. Herrero , Rafael Ramirez

Two-dimensional materials have unusual phonon structures due to the presence of flexural (out-of-plane) modes. Although molecular dynamics simulations have been extensively used to study heat transport in such materials, conventional…

Mesoscale and Nanoscale Physics · Physics 2017-06-27 Zheyong Fan , Luiz Felipe C. Pereira , Petri Hirvonen , Mikko M. Ervasti , Ken R. Elder , Davide Donadio , Tapio Ala-Nissila , Ari Harju

We report the first study on the thermal behaviour of the stiffness of individual carbon nanotubes, which is achieved by measuring the resonance frequency of their fundamental mechanical bending modes. We observe a reduction of the Young's…

Mesoscale and Nanoscale Physics · Physics 2021-05-05 S. Tepsic , G. Gruber , C. B. Moller , C. Magen , P. Belardinelli , E. R. Hernadez , F. Alijani , P. Verlot , A. Bachtold

We propose a low-temperature thermal rectifier consisting of a chain of three tunnel-coupled normal metal electrodes. We show that a large heat rectification is achievable if the thermal symmetry of the structure is broken and the central…

Mesoscale and Nanoscale Physics · Physics 2014-05-12 A. Fornieri , M. J. Martinez-Perez , F. Giazotto