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Grain boundaries (GBs) strongly influence thermal transport in crystalline solids by disrupting lattice periodicity and scattering phonons. Due to the atomic-level disorder and structural complexity, a fundamental understanding of how…

The effect of grain boundary (GB) structure, size and shape on thermal conductivity of polycrystalline graphene is studied in the framework of the deformation potential approach. Precise analytical expressions for the phonon mean free path…

Materials Science · Physics 2019-03-25 S. E. Krasavin , V. A. Osipov

We present systematic thermal conductivity measurements of suspended thin graphite ribbons, 234-527 nm thick, using a four-probe 3-omega method. Unlike recent reports of phonon hydrodynamics and exceptionally high thermal conductivity in…

Mesoscale and Nanoscale Physics · Physics 2025-09-16 Wonjae Jeon , Yu Pei , Xun Li , Lucas Lindsay , Sangyeop Lee , Renkun Chen

Prior experimental studies showed that nanowires are promising structures for improving the thermoelectric performance of practical thermoelectric materials due to the strongly induced phonon-boundary scattering. However, few studies…

Mesoscale and Nanoscale Physics · Physics 2017-09-13 Lei Ma , Riguo Mei , Mengmeng Liu , Xuxin Zhao , Qixing Wu , Hongyuan Sun

Boundary scattering in hierarchically disordered nanomaterials is an effective way to reduce the thermal conductivity of thermoelectric materials and increase their performance. In this work we investigate thermal transport in silicon based…

Materials Science · Physics 2019-02-27 Dhritiman Chakraborty , Laura de Sousa Oliveira , Neophytos Neophytou

The low-temperature thermal conductivity in polycrystalline graphene is theoretically studied. The contributions from three branches of acoustic phonons are calculated by taking into account scattering on sample borders, point defects and…

Materials Science · Physics 2015-06-05 D. V. Kolesnikov , V. A. Osipov

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

Thermal conduction was explored and discussed through a combined theoretical and simulation approach in this work. The thermal conductivity k of polycrystalline graphene was calculated by molecular dynamics simulations based on a hexagonal…

Materials Science · Physics 2014-06-05 Yanlei Wang , Zhigong Song , Zhiping Xu

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 common strategy for reducing thermal conductivity of polycrystalline systems is to increase the number of grain boundaries. Indeed, grain boundaries enhance the probability of phonon scattering events, which has been applied to control…

Controlling thermal energy transfer at the nanoscale has become critically important in many applications and thermal properties since it often limits device performance. In this work, we study the effects on thermal conductivity arising…

Computationally efficient modeling of the thermal conductivity of materials is crucial to thorough experimental planning and theoretical understanding of thermal properties. We present a modeling approach in this work that utilizes…

Mesoscale and Nanoscale Physics · Physics 2017-09-28 Long Chen , Jeffrey L. Braun , Brian F. Donovan , Patrick E. Hopkins , S. Joseph Poon

Tailoring thermal properties with nanostructured materials can be of vital importance for many applications. Generally classical phonon size effects are employed to reduce the thermal conductivity, where strong phonon scattering by…

Applied Physics · Physics 2019-10-14 Yue Xiao , Qiyu Chen , Dengke Ma , Nuo Yang , Qing Hao

We investigate the influence of grain boundaries (GBs), line defects (LDs), and chirality on thermal transport in graphene using non-equilibrium Green's functions. At room temperature the ballistic thermal conductance is ~4.2 GW/m^2/K, and…

Materials Science · Physics 2013-02-22 Andrey Y. Serov , Zhun-Yong Ong , Eric Pop

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

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

Fine-tuning the functional properties of nanomaterials is crucial for technological applications. Superlattices, characterized by periodic repetitions of two or more materials in different dimensions, have emerged as a promising area of…

Nanostructured materials exhibit low thermal conductivity because of the additional scattering due to phonon-boundary interactions. As these interactions are highly sensitive to the mean free path (MFP) of a given phonon mode, MFP…

Materials Science · Physics 2016-01-13 Giuseppe Romano , Keivan Esfarjani , David A. Strubbe , David Broido , Alexie M. Kolpak

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

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.…

Materials Science · Physics 2017-09-20 Giuseppe Romano , Jeffrey C. Grossman
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