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Non-symmetric variants of self-consistent field theory are proposed that served the basis for theoretical investigation of the effect of thermal conductivity of composite particles surface layers on the effective thermoelectric figure of…

材料科学 · 物理学 2011-08-30 A. A. Snarskii , M. I. Zhenirovskyy

Carbon nanotubes (CNTs) have recently attracted attention as materials for flexible thermoelectric devices. To provide theoretical guideline of how defects influence the thermoelectric performance of CNTs, we theoretically studied the…

介观与纳米尺度物理 · 物理学 2017-04-12 Masato Ohnishi , Takuma Shiga , Junichiro Shiomi

Understanding heat transport at the nanometer scale is critical for semiconductor devices, quantum materials, and thermal management of nanostructures, yet direct local measurements of thermal conductivity and heat capacity remain scarce.…

Nanostructured materials and nanocomposites have shown great promise for improving the efficiency of thermoelectric materials. Herein, Fe nanoparticles were imbedded into a CrN matrix by combining two physical vapor deposition approaches,…

Nanoporous materials are a promising platform for thermoelectrics in that they offer high thermal conductivity tunability while preserving good electrical properties, a crucial requirement for high- effciency thermal energy conversion.…

材料科学 · 物理学 2017-09-20 Giuseppe Romano , Jeffrey C. Grossman

Thermoelectrics (TE) materials manifest themselves in direct conversion of temperature differences to electric power and vice versa. Despite remarkable advances have been achieved in the past decades for various TE systems, the energy…

材料科学 · 物理学 2017-07-11 Yanguang Zhou , Xiaojing Gong , Ben Xu , Ming Hu

As a result of suppressed phonon conduction, large improvements of the thermoelectric figure of merit, ZT, have been recently reported for nanostructures compared to the raw materials' ZT values. It has also been suggested that low…

介观与纳米尺度物理 · 物理学 2011-04-11 Neophytos Neophytou , Hans Kosina

Predicting nanoscale thermal transport in dielectrics requires models, such as the Boltzmann transport equation (BTE), that account for phonon boundary scattering in structures with complex geometries. Although the BTE has been validated…

材料科学 · 物理学 2023-08-03 S. Aria Hosseini , Alex Greaney , Giuseppe Romano

There is a growing momentum in recent thermoelectric materials research for flexible materials which enhance power output and efficiency at human wearable temperatures. In our previous work, we established the method to improve…

The effect of interface scattering on the performance of disordered, nanocomposite thermoelectric materials is studied theoretically using effective medium theory and direct numerics. The interfacial electronic and phonon scattering…

介观与纳米尺度物理 · 物理学 2012-02-24 Paul M. Haney

Molecular dynamics simulations play an important role in studying heat transport in complex materials. The lattice thermal conductivity can be computed either using the Green-Kubo formula in equilibrium MD (EMD) simulations or using…

计算物理 · 物理学 2018-05-02 Haikuan Dong , Zheyong Fan , Libin Shi , Ari Harju , Tapio Ala-Nisilla

Controlling thermal transport is important for a range of devices and technologies, from phase change memories to next-generation electronics. This is especially true in nano-scale devices where thermal transport is altered by the influence…

A complex approach phonon quantum discrete model (PQDM) was developed to describe dynamics, kinetics and statistics of phonons in carbon nanostructures with zero-chirality of both zig-zag and armchair geometry. The model allows include into…

介观与纳米尺度物理 · 物理学 2007-05-23 E. Ya. Glushko , V. N. Evteev , M. V. Moiseenko , N. A. Slusarenko , A. A. Zakhidov

An investigation of laser stimulated thermal conductivity in chiral CNT is presented. The thermal conductivity of a chiral CNT is calculated using a tractable analytical approach. This is done by solving the Boltzmann transport equation…

材料科学 · 物理学 2012-08-07 A. Twum , S. Y. Mensah , N. G. Mensah , K. A. Dompreh , S. S. Abukari , M. Rabiu

Investigating thermal transport in van der Waals heterostructure is of scientific interest and practical importance for their applications in a broad range. In this work, thermal conductivity of one-dimensional heterostructure consisting of…

介观与纳米尺度物理 · 物理学 2021-01-01 Han Meng , Shigeo Maruyama , Rong Xiang , Nuo Yang

In this work we present a molecular dynamics investigation of thermal transport in a silica-gallium nitride nanocomposite. A surprising enhancement of the thermal conductivity for crystalline volume fractions larger than 5% is found, which…

We proposed a new way, adding intertube atoms, to enhance interfacial thermal conductance (ITC) between SiC-carbon nanotube (CNT) array structure. Non-equilibrium molecular dynamics method was used to study the ITC. The results show that…

介观与纳米尺度物理 · 物理学 2016-06-10 Chengcheng Deng , Xiaoxiang Yu , Xiaoming Huang , Nuo Yang

By studying the temperature-dependent behavior of electron thermal conductivity (k) in a 3.2 nm-thin film, we quantify the extremely confined defect-electron scattering and reveal the intrinsic phonon-electron scattering that is shared by…

介观与纳米尺度物理 · 物理学 2015-01-16 Zhe Cheng , Zaoli Xu , Shen Xu , Xinwei Wang

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.…

材料科学 · 物理学 2009-11-11 Junichiro Shiomi , Shigeo Maruyama

Current effective medium theories for nano-shells are reviewed. A new method for calculating the effective dielectric function of a core-shell nanoparticle is presented and compared with existing theories showing clear advantages in most…