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Owing to their long phonon mean free paths (MFPs) and high thermal conductivity, carbon nanotubes (CNTs) are ideal candidates for, e.g., removing heat from electronic devices. It is unknown, however, how the intrinsic phonon MFPs depend on…

Mesoscale and Nanoscale Physics · Physics 2015-03-23 K. Sääskilahti , J. Oksanen , S. Volz , J. Tulkki

The frequency-dependent mean free paths (MFPs) of vibrational heat carriers in amorphous silicon are predicted from the length dependence of the spectrally decomposed heat current (SDHC) obtained from non-equilibrium molecular dynamics…

Computational Physics · Physics 2016-05-31 K. Sääskilahti , J. Oksanen , J. Tulkki , A. J. H. McGaughey , S. Volz

At micro- to nano-scales, classical size effects in heat conduction play an important role in suppressing the thermal transport process. Such effects occur when the characteristic lengths become commensurate to the mean free paths (MFPs) of…

Applied Physics · Physics 2019-05-08 Qing Hao , Yue Xiao , Qiyu Chen

Metal-organic frameworks (MOFs) are a family of materials that have high porosity and structural tunability and hold great potential in various applications, many of which requiring a proper understanding of the thermal transport…

Materials Science · Physics 2023-08-04 Penghua Ying , Ting Liang , Ke Xu , Jin Zhang , Jianbin Xu , Zheng Zhong , Zheyong Fan

The length dependence of the thermal conductivity over more than two decades is systematically studied for a range of materials, interatomic potentials and temperatures, by the atomistic approach-to-equilibrium molecular dynamics method…

Computational Physics · Physics 2016-08-10 Hayat Zaoui , Pier Luca Palla , Fabrizio Cleri , Evelyne Lampin

Although extensive experimental and theoretical works have been conducted to understand the ballistic and diffusive phonon transport in nanomaterials recently, direct observation of temperature and thermal nonequilibrium of different phonon…

Mesoscale and Nanoscale Physics · Physics 2017-05-17 Tianli Feng , Wenjun Yao , Zuyuan Wang , Jingjing Shi , Chuang Li , Bingyang Cao , Xiulin Ruan

Heat conduction in graphite has been studied for decades because of its exceptionally large thermal anisotropy. While the bulk thermal conductivities along the in-plane and cross-plane directions are well known, less understood are the…

Mesoscale and Nanoscale Physics · Physics 2016-04-20 Hang Zhang , Xiangwen Chen , Young-Dahl Jho , Austin J. Minnich

Anharmonic lattice vibrations govern the thermal dynamics in materials and present how the atoms interact and how they conduct heat. An indepth understanding of the microscopic mechanism of phonon anharmonicity in condensed systems is…

Materials Science · Physics 2021-12-30 Bin Wei , Qiyang Sun , Chen Li , Jiawang Hong

Thermal conductivity measurements over variable lengths on nanostructures such as nanowires provide important information about the mean free paths (MFPs) of the phonons responsible for heat conduction. However, nearly all of these…

Mesoscale and Nanoscale Physics · Physics 2015-02-23 Hang Zhang , Chengyun Hua , Ding Ding , Austin J. Minnich

Phonons, quantized vibrations of the atomic lattice, are fundamental to understanding thermal transport, structural stability, and phase behavior in crystalline solids. Despite advances in computational materials science, most predictions…

Materials Science · Physics 2026-01-15 Huiju Lee , Zhi Li , Jiangang he , Yi Xia

Despite recent progress in the first-principles calculations and measurements of phonon mean-free-paths (MFPs), contribution of low-energy phonons to heat conduction in silicon is still inconclusive, as exemplified by the discrepancies…

Materials Science · Physics 2018-05-18 Puqing Jiang , Yee Kan Koh

In the regime of strong nonlinearity, the validity of conventional perturbation based phonon transport theories is questionable. In particular, the renormalized phonons instead of phonons are responsible for heat transport in nonlinear…

Statistical Mechanics · Physics 2015-10-13 Nianbei Li , Junjie Liu , Changqin Wu , Baowen Li

While the vibrational thermodynamics of materials with small anharmonicity at low temperatures has been understood well based on the harmonic phonons approximation; at high temperatures, this understanding must accommodate how phonons…

Materials Science · Physics 2015-10-20 Tian Lan

Thermal management is extremely important for designing high-performance devices. The lattice thermal conductivity of materials is strongly dependent on the structural defects at different length scales, particularly point defects like…

Materials Science · Physics 2021-02-24 Yandong Sun , Yanguang Zhou , Ming Hu , G. Jeffrey Snyder , Ben Xu , Wei Liu

It has been proposed for a long time now that the reduction of the thermal conductivity by reducing the phonon mean free path is one of the best way to improve the current performance of thermoelectrics. By measuring the thermal conductance…

Most studies of the mean-free path accumulation function (MFPAF) rely on optical techniques to probe heat transfer at length scales on the order of the phonon mean-free path. In this paper, we propose and implement a purely electrical probe…

Mesoscale and Nanoscale Physics · Physics 2016-02-12 Ashok T. Ramu , Nicole I. Halaszynski , Jonathan D. Peters , Carl D. Meinhart , John E. Bowers

Effective harmonic methods allow for calculating temperature dependent phonon frequencies by incorporating the anharmonic contributions into an effective harmonic Hamiltonian. The systematic errors arising from such an approximation are…

Materials Science · Physics 2019-06-05 Erki Metsanurk , Mattias Klintenberg

The calculation of material phonon thermal conductivity from density functional theory calculations requires computationally expensive evaluation of anharmonic interatomic force constants and has remained a computational bottleneck in the…

Materials Science · Physics 2024-09-04 Yagyank Srivastava , Ankit Jain

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

The mean-free path (MFP) accumulation function for the effective thermal conductivity, introduced by Dames and Chen is a compact, universal and highly useful summary of the effect of ballistic thermal transport on the effective thermal…

Mesoscale and Nanoscale Physics · Physics 2015-08-24 Ashok T. Ramu , John E. Bowers
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