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Controlling thermal transport is important for a range of devices and technologies, from phase change memories to next-generation electronics. This is especially true in nano-scale devices where thermal transport is altered by the influence…

This study investigates thermal transport across nanocrystalline diamond/AlGaN interfaces, crucial for enhancing thermal management in AlGaN/AlGaN-based devices. Chemical vapor deposition growth of diamond directly on AlGaN resulted in a…

Understanding the thermal properties of two-dimensional (2D) materials and devices is essential for thermal management of 2D applications. Here we perform molecular dynamics simulations to evaluate both the specific heat of $MoS_{2}$ as…

Mesoscale and Nanoscale Physics · Physics 2019-08-02 Saurabh V. Suryavanshi , Alexander J. Gabourie , Amir Barati Farimani , Eric Pop

We study the nonlinear interfacial thermal transport across atomic junctions by the quantum self-consistent mean field (QSCMF) theory based on nonequilibrium Green's function approach; the QSCMF theory we propose is very precise and matches…

Statistical Mechanics · Physics 2013-10-15 Lifa Zhang , Juzar Thingna , Dahai He , Jian-Sheng Wang , Baowen Li

High-temperature superconductivity confined to nanometer-size interfaces has been a long standing goal because of potential applications^{1,2} and the opportunity to study quantum phenomena in reduced dimensions^{3,4}. However, this is a…

Recent experimental investigations have demonstrated that doping a semiconductor is a route to increase the thermal boundary conductance at metal/semiconductor interfaces. In this work, the influence of the electrical properties on heat…

While using first-principles-based Boltzmann transport equation approach to predict the thermal conductivity of crystalline semiconductor materials has been a routine, the validity of the approach is seldom tested for high-temperature…

Mesoscale and Nanoscale Physics · Physics 2020-03-05 Xiaokun Gu , Shouhang Li , Hua Bao

Thermal boundary resistance (TBR) in semiconductor-on-diamond structure bottlenecks efficient heat dissipation in electronic devices. In this study, to reduce the TBR between GaN and diamond, surface-activated bonding with a hybrid SiOx-Ar…

Materials Science · Physics 2024-04-25 Bin Xu , Fengwen Mu , Yingzhou Liu , Rulei Guo , Shiqian Hu , Junichiro Shiomi

Understanding heat transfer across solid-liquid interfaces is central to thermal management and energy technologies, yet whether the interfacial thermal conductance (ITC) depends on the timescale of heating remains unclear. Here we use…

Materials Science · Physics 2026-03-25 Tao Chen , Puqing Jiang

In this work, we use a combination of first-principles calculations under the density functional theory framework and heat transport simulations using the atomistic Green's function (AGF) method to quantitatively predict the contribution of…

Mesoscale and Nanoscale Physics · Physics 2017-03-01 Sridhar Sadasivam , Ning Ye , James Charles , Kai Miao , Joseph P. Feser , Tillmann Kubis , Timothy S. Fisher

During the fabrication of heterogeneous structures inside chips, impurities and defects are inevitably introduced. However, the mechanism by which defects affect interfacial heat transport remains unclear. In this work, a microscale thermal…

Materials Science · Physics 2025-08-19 Ershuai Yin , Wenzhu Luo , Lei Wang , Qiang Li

PtBi2 is a Weyl semimetal, which demonstrates superconductivity with low critical temperature Tc ~ 0.6 K in the bulk. Here, we report our study of electron-phonon interaction (EPI) in trigonal PtBi2 by the Yanson point contact (PC)…

Phonons, the quanta of lattice vibrations, are primary heat carriers for semiconductors and dielectrics. The demand of effective phonon manipulation urgently emerges, because the thermal management is crucial for the ongoing development of…

Ga$_2$O$_3$/SiC heterointegration is attractive for ultra-wide-bandgap power electronics, but interfacial thermal boundary conductance (TBC) remains a major heat-removal bottleneck. Direct experimental access to intrinsic atomistic…

Heat transfer at the interface between two materials is becoming increasingly important as the size of electronic devices shrinks. Most studies concentrate on the interfacial thermal conductance between either crystalline-crystalline or…

Mesoscale and Nanoscale Physics · Physics 2024-09-09 Julien El Hajj , Christophe Adessi , Michaël de San Feliciano , Gilles Ledoux , Samy Merabia

We theoretically investigate the thermal boundary conductance across metal-nonmetal interfaces in the presence of the electron-phonon coupling not only in metal but also at interface. The thermal energy can be transferred from metal to…

Materials Science · Physics 2016-02-11 Mengjie Li , Yuanyuan Wang , Jun Zhou , Jie Ren , Baowen Li

Coherent twin boundaries form periodic lamellar twinning in a wide variety of semiconductor nanowires, and are often viewed as near-perfect interfaces with reduced phonon and electron scattering behaviors. Such unique characteristics are of…

Materials Science · Physics 2016-05-25 Aaron Porter , Chan Tran , Frederic Sansoz

Interfacial thermal transport is a critical bottleneck in nanoscale systems, where heat dissipation and energy efficiency are strongly modulated by molecular ordering at solid-liquid boundaries. Here, using atomistic simulations of…

Mesoscale and Nanoscale Physics · Physics 2026-01-14 Viktor Mandrolko , Mykola Isaiev

Topological phononic insulators are the counterpart of three-dimensional quantum spin Hall insulators in phononic systems and, as such, their topological surfaces are characterized by Dirac cone-shaped gapless edge states arising as a…

Superconductivity · Physics 2022-08-17 Daniele Di Miceli , Chandan Setty , Alessio Zaccone

We study heat dissipation from a (10,10) CNT to a SiO2 substrate using equilibrium and non-equilibrium classical molecular dynamics. The CNT-substrate thermal boundary conductance (TBC) is computed both from the relaxation time of the…

Mesoscale and Nanoscale Physics · Physics 2010-11-22 Zhun-Yong Ong , Eric Pop