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The thermal boundary resistance (Kapitza resistance) of (001) twist grain boundaries in silicon nanowires depends on the mismatch angle. This dependence is systematically investigated by means of nonequilibrium molecular dynamics…

Mesoscale and Nanoscale Physics · Physics 2017-01-26 J. K. Bohrer , K. Schröer , L. Brendel , D. E. Wolf

Silicon Carbide (SiC) is a typical material for third-generation semiconductor. The thermal boundary resistance (TBR) of 4H-SiC/SiO2 interface, was investigated by both experimental measurements and theoretical calculations. The structure…

Applied Physics · Physics 2025-02-06 Shichen Deng , Chengdi Xiao , Jiale Yuan , Dengke Ma , Junhui Li , Nuo Yang , Hu He

The thermal parameters of a SiGe microbolometer were calculated using numerical modeling. The calculated thermal conduction and thermal response time are in good agreement with the values found experimentally and range between 2x10$^-7$ and…

Materials Science · Physics 2012-08-31 A. V. Voitsekhovskii , D. V. Grigoryev , V. A. Yuryev , S. N. Nesmelov

The interface of two solids in contact introduces a thermal boundary resistance (TBR), which is challenging to measure from experiments. Besides, if the interface is reactive, it can form an intermediate recrystallized or amorphous region,…

The non-equilibrium Green's function (NEGF) method with B\"uttiker probe scattering self-energies is assessed by comparing its predictions for the thermal boundary resistance with molecular dynamics (MD) simulations. For simplicity, the…

The thermal interface conductance between Al and Si was simulated by a non-equilibrium molecular dynamics method. In the simulations, the coupling between electrons and phonons in Al are considered by using a stochastic force. The results…

We study the relaxation of a thermal grating in multilayer materials with interface thermal resistances. The analytical development allows for the nu- merical determination of this thermal property in Approach to Equilibrium Molecular…

Materials Science · Physics 2018-05-31 Pier Luca Palla , Sonia Zampa , Evelyne Lampin , Fabrizio Cleri

The Thermal Boundary Resistance at the interface between a nanosized Al film and an Al_{2}O_{3} substrate is investigated at an atomistic level. A room temperature value of 1.4 m^{2}K/GW is found. The thermal dynamics occurring in…

Thermal boundary resistance is a critical quantity that controls heat transfer at the nanoscale, which is primarily related to interfacial phonon scattering. Here, we combine lattice dynamics calculations and inputs from first principles ab…

Mesoscale and Nanoscale Physics · Physics 2017-10-30 Ali Alkurdi , Stéphane Pailhès , Samy Merabia

At the nanoscale, the thermal boundary conductance (TBC) and thermal conductivity are not intrinsic properties of interfaces or materials but depend on the nearby environment. However, most studies focused on single interfaces or…

Mesoscale and Nanoscale Physics · Physics 2024-05-08 Khalid Zobaid Adnan , Tianli Feng

Thermal boundary conductance (TBC) across metal diamond interfaces plays a critical role in the thermal management of future diamond based ultrawide bandgap semiconductor devices. Molecular dynamics is a sophisticated method to predict TBC…

Materials Science · Physics 2024-05-24 Khalid Zobaid Adnan , Mahesh R. Neupane , Tianli Feng

The existed theories and methods for calculating interfacial thermal conductance of solid-solid interface lead to diverse values that deviate from experimental measurements. In this letter, We propose a model to estimate the ITC at high…

Materials Science · Physics 2020-11-20 Jinxin Zhong , Zhiguo Wang , Xiaobo Li , Jun Liu , Jun Zhou

Thermal transport across interfaces is an important issue for microelectronics, photonics, and thermoelectric devices and has been studied both experimentally and theoretically in the past. In this paper, thermal interface resistance (1/G)…

Materials Science · Physics 2015-01-28 Yingying Zhang , Xin Qian , Zhan Peng , Nuo Yang

The thermal resistance associated with the interface between a solid and a liquid is analyzed from an atomistic point of view. Partial evaluation of the associated Green-Kubo integral elucidates the various factors governing heat transport…

Statistical Mechanics · Physics 2022-01-26 Nicolas G. Hadjiconstantinou , Mathew M. Swisher

The thermal coefficient of resistance (TCR) for epitaxial silicon-germanium (SiGe) layers has been analyzed by experiment and simulation. Predictive simulation using drift-diffusion formalism and self-consistent quantum-mechanical solutions…

Materials Science · Physics 2013-12-04 B. Gunnar Malm , Mohammadreza Kolahdouz , Fredrik Forsberg , Frank Niklaus

In this article, we report the influence of the interfacial roughness on the thermal boundary conductance between two crystals, using molecular dynamics. We show evidence of a transition between two regimes, depending on the interfacial…

Materials Science · Physics 2015-06-23 Samy Merabia , Konstantinos Termentzidis

An original boundary integral formulation is proposed for the problem of a semi-infinite crack at the interface between two dissimilar elastic materials in the presence of heat flows and mass diffusion. Symmetric and skew-symmetric weight…

Mathematical Physics · Physics 2016-02-17 L. Morini , A. Piccolroaz

GaN/AlN interfaces are essential in advanced high-power and high-frequency electronic devices, where effective thermal management is crucial for optimal performance and reliability. This work investigates the thermal boundary conductance…

Mesoscale and Nanoscale Physics · Physics 2025-05-16 Hao Zhou , Khalid Zobaid Adnan , Wyatt Allen Jones , Tianli Feng

The interfacial thermal resistance determines condensation-evaporation processes and thermal transport across material-fluid interfaces. Despite its importance in transport processes, the interfacial structure responsible for the thermal…

Soft Condensed Matter · Physics 2017-08-02 Jordan Muscatello , Enrique Chacón , Pedro Tarazona , Fernando Bresme

We have developed an efficient scalable kernel method for thermal transport in open systems, with which we have computed the thermal conductance of a junction between bulk silicon and silicon nanowires with diameter up to 10 nm. We have…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 Ivan Duchemin , Davide Donadio
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