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This study investigates the mechanism of enhancing interfacial thermal transport performance in Silicon/Diamond (Si/Diamond) heterostructures using the phonon bridge. A heat transfer model for three-layer heterostructures is developed by…

Materials Science · Physics 2025-07-31 Ershuai Yin , Qiang Li , Wenzhu Luo , Lei Wang

Accurately modeling interfacial thermal transport in van der Waals heterostructures is challenging due to the limited availability of interlayer interaction potentials. We develop a pairwise interlayer potential for graphene/germanene van…

Mesoscale and Nanoscale Physics · Physics 2025-08-28 Sapta Sindhu Paul Chowdhury , Sourav Thapliyal , Bheema Lingam Chittari , Santosh Mogurampelly

Varying the thermal boundary conductance at metal-dielectric interfaces is of great importance for highly integrated electronic structures such as electronic, thermoelectric and plasmonic devices where heat dissipation is dominated by…

Applied Physics · Physics 2020-12-08 S. M. Oommen , S. Pisana

We study charge and energy transfer in two-site molecular electronic junctions in which electron transport is assisted by a vibrational mode. To understand the role of mode harmonicity/anharmonicity on transport behavior, we consider two…

Mesoscale and Nanoscale Physics · Physics 2015-09-01 Bijay Kumar Agarwalla , Jian-Hua Jiang , Dvira Segal

We present here a theoretical method to determine the phononic contribution to the thermal conductance of nanoscale systems in the phase-coherent regime. Our approach makes use of classical molecular dynamics (MD) simulations to calculate…

Mesoscale and Nanoscale Physics · Physics 2022-11-09 Fabian Müller , Peter Nielaba , Juan Carlos Cuevas , Fabian Pauly

Interfacial thermal resistance arises challenges for the thermal management as the modern semiconductors are miniatured to nanoscale. Previous studies found that graded mass distribution in interface can maximumly enhance the interfacial…

Materials Science · Physics 2023-06-28 Lina Yang , Baosheng Yang , Baowen Li

The thermal transport across inorganic/organic interfaces attracts interest for both academic and industry due to its widely applications in flexible electronics etc. Here, the interfacial thermal conductance of inorganic/organic interfaces…

Materials Science · Physics 2023-06-13 Zhicheng Zong , Shichen Deng , Yangjun Qin , Xiao Wan , Jiahong Zhan , Dengke Ma , Nuo Yang

Non-equilibrium molecular dynamics (NEMD) simulations were performed on Au-SAM (self-assembly monolayer)-Au junctions to study the thermal energy transport across the junctions. Thermal conductance of the Au-SAM interfaces was calculated.…

Mesoscale and Nanoscale Physics · Physics 2011-11-22 Tengfei Luo , John R. Lloyd

We present consistent results for molecular conduction using two central-complementary approaches: the non-equilibrium Green's function technique and the quantum master equation method. Our model describes electronic conduction in a…

Mesoscale and Nanoscale Physics · Physics 2016-04-13 Bijay Kumar Agarwalla , Dvira Segal

Interface impedes heat flow in heterostructures and the interfacial thermal resistance (ITR) has become a critical issue for thermal dissipation in electronic devices. To explore the mechanism leading to the ITR, in this work, the dynamic…

Applied Physics · Physics 2023-06-28 Quanjie Wang , Jie Zhang , Vladimir Chernysh , Xiangjun Liu

We investigate the effect of vibrational degrees of freedom on the linear thermoelectric transport through a single-level quantum dot described by the spinless Anderson-Holstein impurity model. To study the effects of strong electron-phonon…

Strongly Correlated Electrons · Physics 2017-11-30 A. Khedri , V. Meden , T. A. Costi

The presence of interfaces in semiconductor devices substantially hinders thermal transport, contributing disproportionately to the overall thermal resistance. However, approaches to enhance interfacial thermal transport remain scarce…

Mesoscale and Nanoscale Physics · Physics 2025-11-18 Yizhe Liu , Bo Sun

Motivated by recent experiments, we present here a systematic ab-initio study of the length dependence of the thermal conductance of single-molecule junctions. We make use of a combination of density functional theory with non-equilibrium…

Mesoscale and Nanoscale Physics · Physics 2016-11-30 J. C. Klöckner , M. Bürkle , J. C. Cuevas , F. Pauly

Thermal transport in nanoscale interconnects is dominated by intricate electron-phonon interactions and microstructural influences. As copper faces limitations at the nanoscale, tungsten and ruthenium have emerged as promising alternatives…

Interfacial thermal transport is critical for many thermal-related applications such as heat dissipation in electronics. While the total interfacial thermal conductance (ITC) can be easily measured or calculated, the ITC spectral mapping…

Materials Science · Physics 2022-10-26 Yixin Xu , Lina Yang , Yanguang Zhou

Quantum phonon transport through benzene and alkane chains amide-linked with single wall carbon nanotubes (SWCNTs) is studied within the level of density functional theory. The force constant matrices are obtained from standard quantum…

Mesoscale and Nanoscale Physics · Physics 2009-01-02 J. T. Lü , Jian-Sheng Wang

With the rapidly increasing integration density and power density in nanoscale electronic devices, the thermal management concerning heat generation and energy harvesting becomes quite crucial. Since phonon is the major heat carrier in…

Mesoscale and Nanoscale Physics · Physics 2021-03-01 Zhizhou Yu , Guohuan Xiong , Lifa Zhang

Experiments studying phonon mediated drag in the double layer two dimensional electron gas system are reported. Detailed measurements of the dependence of drag on temperature, layer spacing, density ratio, and matched density are discussed.…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 H. Noh , S. Zelakiewicz , T. J. Gramila , L. N. Pfeiffer , K. W. West

In this work, we study the thermal energy transport properties of twin graphene, which has been introduced recently as a new two-dimensional carbon nano structure. The thermal conductivity is investigated using non-equilibrium molecular…

Computational Physics · Physics 2020-12-30 Fatemeh Rezaee , Farrokh Yousefi , Farhad Khoeini

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