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Graphene has a high intrinsic thermal conductivity and a high electron mobility. The thermal conductivity of graphene can be significantly reduced when different carbon isotopes are mixed, which can enhance the performance of thermoelectric…

Mesoscale and Nanoscale Physics · Physics 2020-05-20 Eric Whiteway , Michael Hilke

Nanostructured superlattices have been the focus of many researchers due to their physical and manipulatable properties. They aim to find promising materials for new electronic and thermoelectric devices. In the present study, we…

Materials Science · Physics 2021-07-29 Leila Razzaghi , Farhad Khoeini , Ali Rajabpour , Maryam Khalkhali

The lattice thermal conductivities of silicon clathrate frameworks II and VIII are investigated by using ab initio lattice dynamics and iterative solution of the linearized Boltzmann transport equation(BTE) for phonons. Within the…

Materials Science · Physics 2016-04-26 Ville J. Härkönen , Antti J. Karttunen

The phonon thermal conductivity of a multilayer is calculated for transport perpendicular to the layers. There is a cross over between particle transport for thick layers to wave transport for thin layers. The calculations shows that the…

Materials Science · Physics 2009-10-31 M. V. Simkin , G. D. Mahan

We report on evaluation of lattice thermal conductivity of GeTe/Sb$_{2}$Te$_{3}$ superlattice (SL) by using femtosecond coherent phonon spectroscopy at various lattice temperatures. The time-resolved transient reflectivity obtained in…

Materials Science · Physics 2011-07-21 Muneaki Hase , Junji Tominaga

In this work, we investigate the microscopic mechanisms of anharmonic lattice dynamics and thermal transport in lead-free halide double perovskite Cs2AgBiBr6 from first principles. We combine self-consistent phonon calculations with bubble…

Materials Science · Physics 2024-02-09 Jiongzhi Zheng , Changpeng Lin , Chongjia Lin , Geoffroy Hautier , Ruiqiang Guo , Baoling Huang

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

Achieving high thermoelectric performance requires efficient manipulation of thermal conductivity and a fundamental understanding of the microscopic mechanisms of phonon transport in crystalline solids. One of the major challenges in…

Materials Science · Physics 2023-05-18 Jiaoyue Yuan , Yubi Chen , Bolin Liao

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

In both particle and wave descriptions of phonons, the dense, aperiodically arranged interfaces in aperiodic superlattices are expected to strongly attenuate thermal transport due to phonon-interface scattering or broken long-range…

Materials Science · Physics 2024-09-04 Theodore Maranets , Yan Wang

This work investigates the impact of device length on thermal conductivity in periodic and aperiodic superlattices (SLs). While it is well known that thermal conductivity in aperiodic SLs exhibits a weaker dependence on device length…

Materials Science · Physics 2024-12-23 Theodore Maranets , Yan Wang

Nanostructured superlattices are promising materials for novel electronic devices due to their adjustable physical properties. Periodic superlattices facilitate coherent phonon thermal transport due to constructive wave interference at the…

Mesoscale and Nanoscale Physics · Physics 2020-01-10 Isaac M. Felix , Luiz Felipe C. Pereira

Diamond has the known highest thermal conductivity of around \SI{2000}{\watt\per\meter\per\kelvin} and is therefore widely used for heat dissipation. In practical applications, synthetic diamond microparticles are usually assumed to have…

Materials Science · Physics 2024-05-31 Yufeng Wang , Bo Sun

Heat conduction mechanisms in superlattices could be different across different types of interfaces. Van der Waals superlattices are structures physically assembled through weak van der Waals interactions by design, and may host properties…

Materials Science · Physics 2022-07-27 Lu Zhao , Lijuan Zhang , Houfu Song , Hongda Du , Renshaw X. Wang , Junqiao Wu , Feiyu Kang , Bo Sun

The lattice thermal conductivity (LTC) of ZrSe$_2$, a typical layered transition metal disulfide, has been calculated using a hybrid approach that combines force field molecular dynamics (MD) simulation and Boltzmann transport equation…

Materials Science · Physics 2025-09-10 Yong Lu , Fawei Zheng

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

Allotropes of carbon, such as diamond and graphene, are among the best conductors of heat. We monitored the evolution of thermal conductivity in thin graphite as a function of temperature and thickness and found an intimate link between…

Materials Science · Physics 2020-03-25 Yo Machida , Nayuta Matsumoto , Takayuki Isono , Kamran Behnia

Topological semimetal may have potential applications like topological qubits, spintronics and quantum computations. Efficient heat dissipation is a key factor for the reliability and stability of topological semimetal-based…

Materials Science · Physics 2018-03-14 San-Dong Guo , Bang-Gui Liu

The thermal conductivity of silicon nanowires (SiNWs) is investigated by molecular dynamics (MD) simulation. It is found that the thermal conductivity of SiNWs can be reduced exponentially by isotopic defects at room temperature. The…

Materials Science · Physics 2015-05-13 Nuo Yang , Gang Zhang , Baowen Li

Superlattices are promising low-dimensional nanomaterials for thermoelectric technology that is capable of directly converting low-grade heat energy to useful electrical power. In this work, the thermal conductivities of GaAs/Ge…

Mesoscale and Nanoscale Physics · Physics 2017-06-28 Roger Jia , Lingping Zeng , Gang Chen , Eugene A. Fitzgerald
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