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We report finite-volume simulations of the phonon Boltzmann transport equation (BTE) for heat conduction across the heterogeneous interfaces in SiGe superlattices. The diffuse mismatch model incorporating phonon dispersion and polarization…

Mesoscale and Nanoscale Physics · Physics 2010-05-17 Dhruv Singh , Jayathi Y. Murthy , Timothy S. Fisher

Despite the ubiquity of applications of heat transport across nanoscale interfaces, including integrated circuits, thermoelectrics, and nanotheranostics, an accurate description of phonon transport in these systems remains elusive. Here we…

Mesoscale and Nanoscale Physics · Physics 2019-09-11 Georgios Varnavides , Adam S. Jermyn , Polina Anikeeva , Prineha Narang

Understanding phonon transport across heterojunctions is important to achieve a wide range of thermal transport properties. Using the McKelvey-Shockley flux method with first-principles modeling, we theoretically investigate the phonon…

Mesoscale and Nanoscale Physics · Physics 2018-12-18 Jesse Maassen , Vahid Askarpour

Interfacial thermal resistance has been often estimated and understood using the Landauer formalism that assumes incident phonons with equilibrium distribution. However, previous studies suggest that phonons are out-of-equilibrium near the…

Mesoscale and Nanoscale Physics · Physics 2023-09-26 Jinchen Han , Sangyeop Lee

We study nondiffusive thermal transport by phonons at small distances within the framework of the Boltzmann transport equation (BTE) and demonstrate that the transport is significantly affected by the distribution of phonons emitted by the…

Mesoscale and Nanoscale Physics · Physics 2017-10-05 Vazrik Chiloyan , Samuel Huberman , Alexei A. Maznev , Keith A. Nelson , Gang Chen

Traditional models of interfacial phonon scattering, including the acoustic mismatch model (AMM) and diffuse mismatch model (DMM), take into account the bulk properties of the material surrounding the interface, but not the atomic structure…

Materials Science · Physics 2021-04-21 Ramya Gurunathan , Riley Hanus , Samuel Graham , Anupam Garg , G. Jeffrey Snyder

Although extensive experimental and theoretical works have been conducted to understand the ballistic and diffusive phonon transport in nanomaterials recently, direct observation of temperature and thermal nonequilibrium of different phonon…

Mesoscale and Nanoscale Physics · Physics 2017-05-17 Tianli Feng , Wenjun Yao , Zuyuan Wang , Jingjing Shi , Chuang Li , Bingyang Cao , Xiulin Ruan

The understanding and modeling of inelastic scattering of thermal phonons at a solid/solid interface remain an open question. We present a fully quantum theoretical scheme to quantify the effect of anharmonic phonon-phonon scattering at an…

Mesoscale and Nanoscale Physics · Physics 2021-05-26 Yangyu Guo , Zhongwei Zhang , Marc Bescond , Shiyun Xiong , Masahiro Nomura , Sebastian Volz

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…

Understanding the mechanisms of thermal conduction in graphene is a long-lasting research topic, due to its high thermal conductivity. Peierls-Boltzmann transport equation (PBTE) based studies have revealed many unique phonon transport…

Materials Science · Physics 2019-08-14 Xiaokun Gu , Zheyong Fan , Hua Bao , C. Y. Zhao

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…

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

Understanding the mechanism of interfacial thermal transport is crucial for thermal management of electronics. Recent experiments have shown the strong impact of interfacial roughness on inelastic phonon scattering and interfacial thermal…

Mesoscale and Nanoscale Physics · Physics 2025-04-08 Jinyuan Xu , Yangyu Guo

We systematically demonstrate the temperature-dependent thermal transport properties in crystalline Ge$_2$Sb$_2$Te$_5$via first-principles density functional theory-informed linearized Boltzmann transport equation. The investigation,…

Materials Science · Physics 2023-12-18 Kanka Ghosh , Andrzej Kusiak , Jean-Luc Battaglia

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

Interfaces impede heat flow in micro/nanostructured systems. Conventional theories for interfacial thermal transport were derived based on bulk phonon properties of the materials making up the interface without explicitly considering the…

A thorough understanding of the microscopic picture of heat conduction in solids is critical to a broad range of applications, from thermal management of microelectronics to more efficient thermoelectric materials. The transport properties…

Materials Science · Physics 2021-02-04 Yujie Quan , Shengying Yue , Bolin Liao

The breakdown of translational symmetry at heterointerfaces leads to the emergence of new phonon modes localized near the interface. These interface phonons play an essential role in thermal/electrical transport properties in devices…

Materials Science · Physics 2022-01-05 Ruishi Qi , Ruochen Shi , Yuanwei Sun , Yuehui Li , Mei Wu , Ning Li , Jinlong Du , Kaihui Liu , Chunlin Chen , Dapeng Yu , En-Ge Wang , Peng Gao

Phonon boundary scattering is typically treated using the Fuchs-Sondheimer theory, which assumes that phonons are thermalized to the local temperature at the boundary. However, whether such a thermalization process actually occurs and its…

Materials Science · Physics 2020-06-26 Navaneetha K. Ravichandran , Austin J. Minnich

Phonon transport near nanoscale hotspots (NHs) critically determines heat dissipation in advanced electronic devices. The prevailing understanding is that the enhanced thermal resistance (TR) observed in NHs originates from long mean free…

Mesoscale and Nanoscale Physics · Physics 2025-10-15 Jae Sik Jin
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