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Thermoelectric materials convert heat into electricity through thermally driven charge transport in solids, or vice versa for cooling. To be competitive with conventional energy-generation technologies, a thermoelectric material must…

Phonon scattering by electrons, or "phonon-electron scattering", has been recognized as a significant scattering channel for phonons in materials with high electron concentration, such as thermoelectrics and nanoelectronics, even at room…

Materials Science · Physics 2019-09-11 Sheng-Ying Yue , Runqing Yang , Bolin Liao

In a typical semiconductor material, the majority of heat is carried by long wavelength, long mean-free-path phonons. Nanostructuring strategies to reduce thermal conductivity, a promising direction in the field of thermoelectrics, place…

Mesoscale and Nanoscale Physics · Physics 2024-05-08 Alex Greaney , S. Aria Hosseini , Laura de Sousa Oliveira , Alathea Davies , Neophytos Neophytou

We determine the size effect on the lattice thermal conductivity of nanoscale wire and multilayer structures formed in and by some typical semiconductor materials, using the Boltzmann transport equation and focusing on the Knudsen flow…

Materials Science · Physics 2009-11-11 Eleni Ziambaras , Per Hyldgaard

The cross-plane (across-layers) phonon thermal transport of five diverse, layered semiconductors is investigated by accounting for higher-order four-phonon scattering, phonon renormalization, and multi-channel thermal transport. For…

Materials Science · Physics 2023-11-07 Amey G. Gokhale , Ankit Jain

The thermal transport properties of porous silicon and nano-hybrid "porous silicon/water" systems are presented here. The thermal conductivity was evaluated with equilibrium molecular dynamics technique for porous systems made of spherical…

Mesoscale and Nanoscale Physics · Physics 2020-12-03 Mykola Isaiev , Xiaorui Wang , Konstantinos Termentzidis , David Lacroix

Utilizing atomistic lattice dynamics and scattering theory, we study thermal transport in nanodevices made of 10 nm thick silicon nanowires, from 10 to 100 nm long, sandwiched between two bulk reservoirs. We find that thermal transport in…

Materials Science · Physics 2013-05-08 Ivan Duchemin , Davide Donadio

Recent experiments have indicated that employing nanostructures can enhance interfacial heat transport, but the mechanism by which different structural morphologies and dimensions contribute to the full-spectrum phonon interfacial transport…

Fluid Dynamics · Physics 2024-06-28 Wenzhu Luo , Neng Wang , Wenlei Lian , Ershuai Yin , Qiang Li

Anisotropic phonon transport along different lattice directions of two-dimensional (2D) materials has been observed, however, the effect decreases with increasing the thickness beyond a few atomic layers. Here we establish a novel mechanism…

Mesoscale and Nanoscale Physics · Physics 2020-08-12 Sanghamitra Neogi , Davide Donadio

Grain boundaries are commonly observed in carbon nanostructures, but their influence on thermal and electric properties are still not completely understood. Using a combined approach of density functional tight-binding theory and…

Materials Science · Physics 2015-06-30 Thomas Lehmann , Dmitry A. Ryndyk , Gianaurelio Cuniberti

While using first-principles-based Boltzmann transport equation approach to predict the thermal conductivity of crystalline semiconductor materials has been a routine, the validity of the approach is seldom tested for high-temperature…

Mesoscale and Nanoscale Physics · Physics 2020-03-05 Xiaokun Gu , Shouhang Li , Hua Bao

We perform molecular dynamics simulations to investigate the reduction of the thermal conductivity by kinks in silicon nanowires. The reduction percentage can be as high as 70% at room temperature. The temperature dependence of the…

Materials Science · Physics 2013-08-14 Jin-Wu Jiang , Nuo Yang , Bing-Shen Wang , Timon Rabczuk

We have shown theoretically that a combination of cross-section modulation and acoustic mismatch in the core-shell Si/Ge nanowires can lead to a drastic reduction of the thermal conductivity. Our calculations, which utilized two different…

Mesoscale and Nanoscale Physics · Physics 2015-06-16 Denis L. Nika , Alexandr I. Cocemasov , Dmitrii V. Crismari , Alexander A. Balandin

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…

Materials Science · Physics 2017-07-11 Yanguang Zhou , Xiaojing Gong , Ben Xu , Ming Hu

Which sizes of nanoparticles embedded in a crystalline solid yield the lowest thermal conductivity? Nanoparticles have long been demonstrated to reduce the thermal conductivity of crystals by scattering phonons, but most previous works…

Materials Science · Physics 2015-02-17 Hang Zhang , Austin J. Minnich

Modifying phonon thermal conductivity in nanomaterials is important not only for fundamental research but also for practical applications. However, the experiments on tailoring the thermal conductivity in nanoscale, especially in…

Mesoscale and Nanoscale Physics · Physics 2018-02-27 Adili Aiyiti , Shiqian Hu , Chengru Wang , Qing Xi , Zhaofang Cheng , Minggang Xia , Yanling Ma , Jianbo Wu , Jie Guo , Qilang Wang , Jun Zhou , Jie Chen , Xiangfan Xu , Baowen Li

The photoacoustic method with piezoelectric detection for the simultaneous evaluation of the thermophysical properties is proposed. The approach is based on the settling of an additional heat sink for redistribution of heat fluxes deposited…

Mesoscale and Nanoscale Physics · Physics 2020-12-03 K. Dubyk , T. Nychyporuk , V. Lysenko , K. Termentzidis , G. Castanet , F. Lemoine , D. Lacroix , Mykola Isaiev

We present analytical model and molecular dynamics simulations of phonon heat transport in nanowires and nanoribbons with anharmonic lattices and dynamically rough surfaces and edges. In agreement with recent experiments on heat transport…

Statistical Mechanics · Physics 2011-12-30 Yuriy A. Kosevich , Alexander V. Savin

We present atomistic valence force field calculations of thermal transport in Si nanowires of diameters from 12nm down to 1nm. We show that as the diameter is reduced, the phonon density-of-states and transmission function acquire a finite…

Mesoscale and Nanoscale Physics · Physics 2014-01-17 Hossein Karamitaheri , Neophytos Neophytou , Hans Kosina

Surface phonon-polaritons can carry energy on the surface of dielectric films and thus are expected to contribute to heat conduction. However, the contribution of surface phonon-polaritons (SPhPs) to thermal transport has not been…

Mesoscale and Nanoscale Physics · Physics 2019-08-06 Yunhui Wu , Jose Ordonez-Miranda , Sergei Gluchko , Roman Anufriev , Sebastian Volz , Masahiro Nomura