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Two-dimensional (2-D) transition metal dichalcogenides (TMDs) have shown numerous interesting physical and chemical properties, making them promising materials for electronic, optoelectronic, and energy applications. Tuning thermal…

Materials Science · Physics 2016-09-07 Xiaokun Gu , Ronggui Yang

We study ballistic interfacial thermal transport across atomic junctions. Exact expressions for phonon transmission coefficients are derived for thermal transport in one-junction and two-junction chains, and verified by numerical…

Materials Science · Physics 2011-03-02 Lifa Zhang , Pawel Keblinski , Jian-Sheng Wang , Baowen Li

With the rapid advance of high-performance computing and electronic technologies, understanding thermal conductivity in materials has become increasingly important. This study presents a novel method: the Site-projected Thermal Conductivity…

Materials Science · Physics 2024-11-22 A. Gautam , Y. G. Lee , C. Ugwumadu , K. Nepal , S. Nakhmanson , D. A. Drabold

Boundary-engineering in nanostructures has the potential to dramatically impact the development of materials for high-efficiency conversion of thermal energy directly into electricity. In particular, nanostructuring of semiconductors can…

Materials Science · Physics 2016-10-04 Giuseppe Romano , Alexie M. Kolpak

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…

Materials Science · Physics 2016-02-23 Bo Peng , Hao Zhang , Hezhu Shao , Yuchen Xu , Xiangchao Zhang , Heyuan Zhu

The Anderson localization of thermal phonons has been shown only in few nano-structures with strong random disorder by the exponential decay of transmission to zero and a thermal conductivity maximum when increasing system length. In this…

Mesoscale and Nanoscale Physics · Physics 2021-09-20 Yangyu Guo , Marc Bescond , Zhongwei Zhang , Shiyun Xiong , Kazuhiko Hirakawa , Masahiro Nomura , Sebastian Volz

We study heat conduction mediated by longitudinal phonons in one dimensional disordered harmonic chains. Using scaling properties of the phonon density of states and localization in disordered systems, we find non-trivial scaling of the…

Disordered Systems and Neural Networks · Physics 2020-03-11 Biswarup Ash , Ariel Amir , Yohai Bar-Sinai , Yuval Oreg , Yoseph Imry

Non-diffusive thermal transport has gained extensive research interest recently due to its important implications on fundamental understanding of material phonon mean free path distributions and many nanoscale energy applications. In this…

Computational Physics · Physics 2017-01-03 Lei Ma , Riguo Mei , Mengmeng Liu , Xuxin Zhao , Qixing Wu , Hongyuan Sun

With the rapidly increasing integration density and power density in nanoscale electronic devices, the thermal management concerning heat generation and energy harvesting becomes quite crucial. Since phonon is the major heat carrier in…

Mesoscale and Nanoscale Physics · Physics 2021-03-01 Zhizhou Yu , Guohuan Xiong , Lifa Zhang

Because of high surface-to-volume ratio, the most prominent size effect limiting thermal transport originates from phonon-surface scattering in nanostructures. Herein we propose the mechanism of phonon scattering by the bond strength…

Mesoscale and Nanoscale Physics · Physics 2019-01-16 Guofeng Xie , Gang Zhang

Using the phonon Boltzmann transport formalism and density functional theory based calculations, we show that stanene has a low thermal conductivity. For a sample size of 1$\times$1 $\mu$m$^{2}$ ($L\times W$), the lattice thermal…

Mesoscale and Nanoscale Physics · Physics 2016-05-02 Arun S. Nissimagoudar , Aaditya Manjanath , Abhishek K. Singh

The temperature-dependent phonons are a generalization of interatomic force constants varying in T, which as found widespread use in computing the thermal transport of materials. A formal justification for using this combination to access…

Materials Science · Physics 2025-01-31 Aloïs Castellano , J. P. Alvarinhas Batista , Olle Hellman , Matthieu J. Verstraete

Using numerical diagonalization techniques, we explore the effect of local and bond disorder on the finite temperature spin and thermal conductivities of the one dimensional anisotropic spin-1/2 Heisenberg model. High-temperature results…

Strongly Correlated Electrons · Physics 2009-02-02 A. Karahalios , A. Metavitsiadis , X. Zotos , A. Gorczyca , P. Prelovšek

The value measured in the amorphous structure with the same chemical composition is often considered as a lower bound for the thermal conductivity of any material: the heat carriers are strongly scattered by disorder, and their lifetimes…

Materials Science · Physics 2015-09-17 Hideyuki Mizuno , Stefano Mossa , Jean-Louis Barrat

The standard equilibrium Green-Kubo and nonequilibrium molecular dynamics (MD) methods for computing thermal transport coefficients in solids typically require relatively long simulation times and large system sizes. To this end, we revisit…

Materials Science · Physics 2019-03-05 Zheyong Fan , Haikuan Dong , Ari Harju , Tapio Ala-Nissila

A rope of carbon nanotubes is constituted of an array of parallel single wall nanotubes with nearly identical diameters. In most cases the individual nanotubes within a rope have different helicities and 1/3 of them are metallic. In the…

Mesoscale and Nanoscale Physics · Physics 2008-02-19 M. Ferrier , A. Chepelianskii , S. Guéron , H. Bouchiat

We report on nonlinear cotunneling spectroscopy of a carbon nanotube quantum dot coupled to Nb superconducting contacts. Our measurements show rich subgap features in the stability diagram which become more pronounced as the temperature is…

Mesoscale and Nanoscale Physics · Physics 2015-06-16 S. Ratz , A. Donarini , D. Steininger , T. Geiger , A. Kumar , A. K. Hüttel , Ch. Strunk , M. Grifoni

We study the electronic transport in a molecular junction in which each site is coupled to a local phonon bath using the non-equilibrium Green's function method. We observe the length period of the oscillatory conductance in odd-numbered…

Strongly Correlated Electrons · Physics 2011-08-12 Ya-Lin Lo , Shih-Jye Sun , Ying-Jer Kao

Nanostructuring on length scales corresponding to phonon mean free paths provides control over heat flow in semiconductors and makes it possible to engineer their thermal properties. However, the influence of boundaries limits the validity…

Semiconducting single-walled carbon nanotubes are studied in the diffusive transport regime. The peak mobility is found to scale with the square of the nanotube diameter and inversely with temperature. The maximum conductance, corrected for…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Xinjian Zhou , Ji-Yong Park , Shaoming Huang , Jie Liu , Paul L. McEuen