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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

Low thermal conductance of metal contacts is one of the main challenges in thermal management of nanoscale devices of graphene and other 2D materials. Previous attempts to search for metal contacts with high thermal conductance yielded…

Applied Physics · Physics 2018-12-13 Weidong Zheng , Bin Huang , Hongkun Li , Yee Kan Koh

We present experimental measurements of the thermal boundary conductance (TBC) from $77 - 500$ K across isolated heteroepitaxially grown ZnO films on GaN substrates. These data provide an assessment of the assumptions that drive the phonon…

In standard molecular junctions, a molecular structure is placed between and connected to metal leads. Understanding how mechanical tuning in such molecular junctions can change heat conductance has interesting applications in nanoscale…

Soft Condensed Matter · Physics 2022-04-20 Mohammadhasan Dinpajooh , Abraham Nitzan

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…

Detailed understanding of vibrational heat transfer mechanisms between solids is essential for the efficient thermal engineering and control of nanomaterials. We investigate the frequency dependence of anharmonic scattering and interfacial…

Materials Science · Physics 2014-10-31 K. Sääskilahti , J. Oksanen , J. Tulkki , S. Volz

We investigate the anharmonic phonon scattering across a weakly interacting interface by developing a quantum mechanics-based theory. We find that the contribution from anharmonic three-phonon scatterings to interfacial thermal conductance…

Mesoscale and Nanoscale Physics · Physics 2022-02-23 Hangbo Zhou , Gang Zhang , Jian-Sheng Wang , Yong-Wei Zhang

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…

As a critical way to modulate thermal transport in nanostructures, phonon resonance hybridization has become an issue of great concern in the field of phonon engineering. In this work, we optimized phonon transport across graphene…

Mesoscale and Nanoscale Physics · Physics 2021-04-06 Xiao Wan , Dengke Ma , Dongkai Pan , Lina Yang , Nuo Yang

We investigate the effect of confinement and orientation on the phonon transport properties of ultra-thin silicon layers of thicknesses between 1 nm-16 nm. We employ the modified valence force field method to model the lattice dynamics and…

Mesoscale and Nanoscale Physics · Physics 2013-06-12 Hossein Karamitaheri , Neophytos Neophytou , Hans Kosina

Understanding thermal and electrical transport in topological materials is essential for advancing their applications in quantum technologies and energy conversion. Herein, we employ first-principles calculations to systematically…

Superlattices (SLs) can induce phonon coherence through the periodic layering of two or more materials, enabling tailored thermal transport properties. While most theoretical studies assume atomically sharp, perfect interfaces, real SLs…

Materials Science · Physics 2025-01-30 Theodore Maranets , Evan Doe , Yan Wang

The effect of electron-phonon (e-ph) coupling on thermal transport across metal-nonmetal interfaces is yet to be completely understood. In this paper, we use a series of molecular dynamics (MD) simulations with e-ph coupling effect included…

Materials Science · Physics 2015-10-02 Xufei Wu , Tengfei Luo

Indium iodides, which adopt layered or molecular-crystal-like arrangements depending on composition, are expected to exhibit low lattice thermal conductivity because of their heavy constituent atoms and weak In-I bonding. In this work, we…

Materials Science · Physics 2026-01-06 Takuma Shiga , Yoshikazu Mizuguchi , Hiroshi Fujihisa

We study the impact of phonon anharmonicity on the electronic dynamics of soft materials using a nonperturbative quantum-classical approach. The method is applied to a one-dimensional model of doped organic semiconductors with low-frequency…

Materials Science · Physics 2025-09-24 Jonathan H. Fetherolf , Petra Shih , Timothy C. Berkelbach

Interfaces play an essential role in phonon-mediated heat conduction in solids, impacting applications ranging from thermoelectric waste heat recovery to heat dissipation in electronics. From a microscopic perspective, interfacial phonon…

Mesoscale and Nanoscale Physics · Physics 2015-09-28 Chengyun Hua , Xiangwen Chen , Navaneetha K. Ravichandran , Austin J. Minnich

Thermal transport in high-electron-mobility-transistor (HEMT) structures grown on 4H-SiC substrates by metalorganic-vapour-phase epitaxy (MOCVD) is systematically investigated. The thermal conductivity of the GaN channel and AlN buffer…

Materials Science · Physics 2025-10-15 Dat Q. Tran , Minho Kim , Okhyun Nam , Vanya Darakchieva , Plamen P. Paskov

Thermal transport in crystals is influenced by chemistry, boundaries, and nanostructure. The anharmonic phonon band structure extracted from molecular-dynamics simulations provides an illuminating view of both the type and extent of…

Mesoscale and Nanoscale Physics · Physics 2025-07-15 Albert Beardo , Prajit Rawte , Chia-Nien Tsai , Mahmoud I. Hussein

We study the statistical properties of charge and energy transport in electron conducting junctions with electron-phonon interactions, specifically, the thermoelectric efficiency and its fluctuations. The system comprises donor and acceptor…

Statistical Mechanics · Physics 2016-01-20 Bijay Kumar Agarwalla , Jian-Hua Jiang , Dvira Segal

Anharmonic lattice vibrations govern the thermal dynamics in materials and present how the atoms interact and how they conduct heat. An indepth understanding of the microscopic mechanism of phonon anharmonicity in condensed systems is…

Materials Science · Physics 2021-12-30 Bin Wei , Qiyang Sun , Chen Li , Jiawang Hong