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Thermal transport property of homogeneous twisted molybdenum disulfide (MoS$_2$) is investigated using non-equilibrium molecular dynamics simulations with the state-of-art force fields. The simulation results demonstrate that the…

Computational Physics · Physics 2023-10-16 Wenwu Jiang , Ting Liang , Jianbin Xu , Wengen Ouyang

Temperature-dependent thermal conductivity of epitaxial silicon nano-crystalline (SiNC) structures composed of nanometer-sized grains separated by ultra-thin silicon-oxide (SiO2) films is measured by the time domain thermoreflectance…

Mesoscale and Nanoscale Physics · Physics 2018-02-14 Takafumi Oyake , Lei Feng , Takuma Shiga , Masayuki Isogawa , Yoshiaki Nakamura , Junichiro Shiomi

Properties of phonons - quanta of the crystal lattice vibrations - in graphene have attracted strong attention of the physics and engineering communities. Acoustic phonons are the main heat carriers in graphene near room temperature while…

Mesoscale and Nanoscale Physics · Physics 2015-06-04 Denis L. Nika , Alexander A. Balandin

Introducing hierarchical disorder from multiple defects into materials through nanostructuring is one of the most promising directions to achieve extremely low thermal conductivities and thus improve thermoelectric performance. The success…

Materials Science · Physics 2019-09-16 Laura de Sousa Oliveira , Vassilios Vargiamidis , Neophytos Neophytou

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

The concept of coherence is one of the fundamental phenomena in electronics and optics. In addition to electron and photon, phonon, is another important energy and information carrier in nature. Without any doubt, exploration of the phonon…

Mesoscale and Nanoscale Physics · Physics 2018-09-03 Guofeng Xie , Ding Ding , Gang Zhang

The mechanism of heat transfer and the contribution of electron-phonon coupling to thermal conductance of a metal-semiconductor interface remains unclear in the present literature. We report ab initio simulations of a technologically…

Materials Science · Physics 2015-04-07 Sridhar Sadasivam , Umesh V. Waghmare , Timothy S. Fisher

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…

First principles-based predictions of lattice thermal conductivity (TC) from perturbation theory have achieved significant success. Usually, it only included three-phonon (3ph) scattering processes, only recently four-phonon (4ph)…

Materials Science · Physics 2025-03-25 H. F. Feng , B. Liu , Xin-Gao Gong , Zhi-Xin Guo

Based on the phonon Boltzmann transport equation under the relaxation time approximation, analytical expressions for the temperature profiles of both steady state and modulated heat conduction inside a thin film deposited on a substrate are…

Mesoscale and Nanoscale Physics · Physics 2015-09-02 Jose Ordonez-Miranda , Ronggui Yang , Sebastian Volz , J. J. Alvarado-Gil

Quasi-one-dimensional bismuth halides offer an exceptional platform for exploring diverse topological phases, yet the nature of the room-temperature topological phase transition in Bi$_4$I$_4$ remains unresolved. While theory predicts the…

Materials Science · Physics 2025-08-26 Wenjie Hu , Jiayi Gong , Yuhui Qiu , Lexian Yang , Jin-Jian Zhou , Yugui Yao

Heat transport at nanoscales in semiconductors is investigated with a statistical method. The Boltzmann Transport Equation (BTE) which characterize phonons motion and interaction within the crystal lattice has been simulated with a Monte…

Classical Physics · Physics 2009-11-11 David Lacroix , Karl Joulain

Recently, there have been increasing interests in phonon thermal transport in low dimensional materials, due to the crucial importance for dissipating and managing heat in micro and nano electronic devices. Significant progresses have been…

Mesoscale and Nanoscale Physics · Physics 2017-01-12 Xiangfan Xu , Jie Chen , Baowen Li

The phonon thermal conductivity of semiconducting periodic solids can be obtained using the lattice dynamics calculations along with the Boltzmann transport equation and with input from density functional theory calculations. These…

Mesoscale and Nanoscale Physics · Physics 2025-05-30 Ankit Jain , Yagyank Srivastava , Amey G. Gokhale , Nidheesh Virakante , Hardik L. Kagdada

The relaxation of a spatially sinusoidal temperature perturbation in a dielectric crystal at a temperature comparable to or higher than the Debye temperature is investigated theoretically. We assume that most phonons contributing to the…

Materials Science · Physics 2011-12-12 A. A. Maznev , Jeremy A. Johnson , Keith A. Nelson

We compute the transient dynamics of phonons in contact with high energy "hot" charge carriers in 12 polar and non-polar semiconductors, using a first-principles Boltzmann transport framework. For most materials, we find that the decay in…

Mesoscale and Nanoscale Physics · Physics 2017-10-03 Sridhar Sadasivam , Maria K. Y. Chan , Pierre Darancet

With the increasing miniaturization of electronic components and the need to optimize thermal management, it has become essential to understand heat transport at metal/semiconductor interfaces. While it has been recognized decades ago that…

Nanostructuring on length scales corresponding to phonon mean free paths provides control over heat flow in semiconductors and makes it possible to engineer their thermal properties. However, the influence of boundaries limits the validity…

Heat conduction by phonons is a ubiquitous process that incorporates a wide range of physics and plays an essential role in applications ranging from space power generation to LED lighting. Heat conduction has been studied for over two…

Mesoscale and Nanoscale Physics · Physics 2014-05-06 Austin J. Minnich

Thermal boundary conductance at a metal-dieletric interface is a quantity of prime importance for heat management at the nanoscale. While the boundary conductance is usually ascribed to the coupling between metal phonons and dielectric…

Mesoscale and Nanoscale Physics · Physics 2015-06-23 J. Lombard , F. Detcheverry , S. Merabia
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