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Nanostructured silicon is a promising material for thermoelectric conversion, because the thermal conductivity in silicon nanostructures can be strongly reduced with respect to that of bulk materials. We present thermal conductivity…

Mesoscale and Nanoscale Physics · Physics 2018-07-04 Giovanni Pennelli , Elisabetta Dimaggio , Massimo Macucci

Understanding microscopic heat conduction in thin films is important for nano/micro heat transfer and thermal management for advanced electronics. As the thickness of thin films is comparable to or shorter than a phonon wavelength, phonon…

Materials Science · Physics 2021-05-19 Michimasa Morita , Takuma Shiga

Thermal transport by phonons in films with thicknesses of less than 10 nm is investigated in a soft system (Lennard-Jones argon) and a stiff system (Tersoff silicon) using two-dimensional lattice dynamics calculations and the Boltzmann…

Mesoscale and Nanoscale Physics · Physics 2020-01-22 Bo Fu , Kevin D. Parrish , Hyun-Young Kim , Guihua Tang , Alan J. H. McGaughey

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 theoretically investigate thermal conductivity in silicon nanomeshes using Monte Carlo simulations of phonon transport. Silicon membranes of 100nm thickness with randomly located pores of 50nm diameter are considered. The effects of…

Materials Science · Physics 2014-06-02 Stefanie Wolf , Neophytos Neophytou , Hans Kosina

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…

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

Porous materials provide a large surface to volume ratio, thereby providing a knob to alter fundamental properties in unprecedented ways. In thermal transport, porous nanomaterials can reduce thermal conductivity by not only enhancing…

Because of high surface-to-volume ratio, the most prominent size effect limiting thermal transport originates from phonon-surface scattering in nanostructures. Herein we propose the mechanism of phonon scattering by the bond strength…

Mesoscale and Nanoscale Physics · Physics 2019-01-16 Guofeng Xie , Gang Zhang

Thermal transport behavior in silicene nanotubes has become more important due to the application of these promising nanostructures in the engineering of next-generation nanoelectronic devices. We apply non-equilibrium molecular dynamics…

Computational Physics · Physics 2019-06-13 Maryam Khalkhali , Farhad Khoeini , Ali Rajabpour

The thermal properties of solids under nanoscale confinement are currently not understood at the atomic level. Recent numerical studies have highlighted the presence of a minimum in the thermal conductivity as a function of thickness for…

Mesoscale and Nanoscale Physics · Physics 2025-12-15 Alessio Zaccone

We investigate the effect of confinement and orientation on the phonon transport properties of ultra-thin silicon layers of thicknesses between 1 nm-16 nm. We employ the modified valence force field method to model the lattice dynamics and…

Mesoscale and Nanoscale Physics · Physics 2013-06-12 Hossein Karamitaheri , Neophytos Neophytou , Hans Kosina

The miniaturization of electronic devices has led to the prominence, in technological applications, of semiconductor thin films that are only a few nanometers thick. In spite of intense research, the thickness-dependent resistivity or…

Mesoscale and Nanoscale Physics · Physics 2025-04-15 Alessio Zaccone

A comprehensive rational thermal material design paradigm requires the ability to reduce and enhance the thermal conductivities of nanomaterials. In contrast to the existing ability to reduce the thermal conductivity, methods that allow to…

Mesoscale and Nanoscale Physics · Physics 2017-10-09 Abhinav Malhotra , Kartik Kothari , Martin Maldovan

The thermal conductivity (k) of polycrystalline silicon carbide thin films is relevant for thermal management in emerging silicon carbide applications like MEMS and optoelectronic devices. In such films k can be substantially reduced by…

Materials Science · Physics 2023-06-09 Lei Tang , Chris Dames

This study presents a comprehensive methodology for determining the thermal conductivity (TC) of materials with high reliability. The methodology addresses issues such as surface topographical variations and substrate interference by…

Materials Science · Physics 2025-05-19 Mohsen Dehbashi , Anna Kazmierczak-Balata , Jerzy Bodzenta

We present a comparative investigation of the influence of crystallinity and film thickness on the acoustic and thermal properties of 2D layered PtSe2 thin films of varying thickness (0.6-24 nm) by combining a set of experimental…

We present a novel approach for computing the surface roughness-limited thermal conductivity of silicon nanowires with diameter D < 100 nm. A frequency-dependent phonon scattering rate is computed from perturbation theory and related to a…

Other Condensed Matter · Physics 2009-11-13 Pierre Martin , Zlatan Aksamija , Eric Pop , Umberto Ravaioli

Based on the Debye-Callaway and the Klemens model, as well as molecular dynamics, the paper proposes mechanism of thermal conductivity reduction by embedding dense 60{\deg} shuffle-set dislocation arrays into silicon nano-films. Thermal…

Mesoscale and Nanoscale Physics · Physics 2016-07-12 Zhimin Jiang , Haisheng Fang , Zhenya Lv , Xiangang Luo , Lili Zheng

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
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