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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

Graphane and graphene are both two-dimensional materials but of different bonding configurations, which can result in distinct thermal conduction properties. We simulate thermal conduction in graphane nanoribbons (GANRs) using the…

Mesoscale and Nanoscale Physics · Physics 2015-06-18 Dengfeng Li , Yong Xu , Xiaobin Chen , Bolin Li , Wenhui Duan

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

We studied the anharmonic modal contributions to heat transfer at the interface of crystalline Si and amorphous SiO2 using the recently proposed interface conductance modal analysis (ICMA) method. Our results show that ~74% of the thermal…

Materials Science · Physics 2018-07-19 Kiarash Gordiz , Murali Gopal Muraleedharan , Asegun Henry

We explore the physics of thermal impedance matching at the interface between two dissimilar materials by controlling the properties of a single atomic mass or bond. The maximum thermal current is transmitted between the materials when we…

Mesoscale and Nanoscale Physics · Physics 2015-05-22 Carlos A. Polanco , Christopher B. Saltonstall , Pamela M. Norris , Patrick E. Hopkins , Avik W. Ghosh

The poor performance of copper interconnects at the nanometer scale calls for new material solutions for continued scaling of integrated circuits. We propose the use of three dimensional time-reversal-invariant topological insulators (TIs),…

Mesoscale and Nanoscale Physics · Physics 2018-06-14 Timothy M. Philip , Mark R. Hirsbrunner , Moon Jip Park , Matthew J. Gilbert

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

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

We study the thermal conductance across solid-solid interfaces as the composition of an intermediate matching layer is varied. In absence of phonon-phonon interactions, an added layer can make the interfacial conductance increase or…

Mesoscale and Nanoscale Physics · Physics 2017-05-10 Carlos A. Polanco , Rouzbeh Rastgarkafshgarkolaei , Jingjie Zhang , Nam Le , Pamela M. Norris , Avik W. Ghosh

We investigate interfacial fluid dynamics and heat transfer at nanoscales using an improved diffuse interface approach for liquid-vapor interfaces in non-equilibrium. Conventional Navier-Stokes-Korteweg (NSK) formulations often fail to…

Fluid Dynamics · Physics 2026-03-11 Rahul Bhattacharjee , Henning Struchtrup , Anirudh Singh Rana

Features of thermal transport in multilayered porous silicon nanostructures are considered. Such nanostructures were fabricated by electrochemical etching of monocrystalline Si substrates by applying periodically changed current density.…

In this paper, a thermal-dynamical consistent model for mass transfer across permeable moving interfaces is proposed by using the energy variation method. We consider a restricted diffusion problem where the flux across the interface…

Numerical Analysis · Mathematics 2022-06-15 Yuzhe Qin , Huaxiong Huang , Yi Zhu , Chun Liu , Shixin Xu

Hierarchically nanostructured materials, where disorder is introduced in various length scales (at the atomic scale, the nanoscale, and the mesoscale) is one of the most promising directions to achieve extremely low thermal conductivities…

Materials Science · Physics 2019-03-01 Laura de Sousa Oliveira , Vassillios Vargiamidis , Neophytos Neophytou

Interfaces dominate heat conduction in nanostructured systems, and much work has focused on methods to enhance interfacial conduction. These approaches generally address planar interfaces, where the heat flux vector is everywhere normal to…

Mesoscale and Nanoscale Physics · Physics 2017-02-21 Woosung Park , Aditya Sood , Joonsuk Park , Mehdi Asheghi , Robert Sinclair , Kenneth E. Goodson

Recent experiments have indicated that employing nanostructures can enhance interfacial heat transport, but the mechanism by which different structural morphologies and dimensions contribute to the full-spectrum phonon interfacial transport…

Fluid Dynamics · Physics 2024-06-28 Wenzhu Luo , Neng Wang , Wenlei Lian , Ershuai Yin , Qiang Li

In this paper we describe a spatial decomposition of the thermal conductivity, what we name "site-projected thermal conductivity", a gauge of the thermal conduction activity at each site. The method is based on the Green-Kubo formula and…

Materials Science · Physics 2025-09-16 C. Ugwumadu , A. Gautam , Y. G. Lee , D. A. Drabold

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…

Graphene, as a passivation layer, can be used to protect the black phosphorus from the chemical reaction with surrounding oxygen and water. However, black phosphorus and graphene heterostructures have low efficiency of heat dissipation due…

Materials Science · Physics 2019-03-28 Yang Chen , Yingyan Zhang , Kun Cai , Jinwu Jiang , Jin-cheng Zheng , Junhua Zhao , Ning Wei

Phonon transmission across interfaces of dissimilar materials has been studied intensively in the recent years by using atomistic simulation tools owing to its importance in determining the effective thermal conductivity of nanostructured…

Materials Science · Physics 2015-05-25 Xiaokun Gu , Xiaobo Li , Ronggui Yang

Atomistic computer simulations are applied to investigate the atomic structure, thermal stability, and diffusion processes in Al-Si interphase boundaries as a prototype of metal-ceramic interfaces in composite materials. Some of the most…

Materials Science · Physics 2023-08-24 Ian Chesser , Raj Koju , Akshay Vellore , Yuri Mishin