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We investigate the mechanisms involved in the thermomigration of interstitial hydrogen in metals. Using irreversible thermodynamics, we develop a comprehensive mechanistic model to capture the controlling effects. Crucially, through…

Statistical Mechanics · Physics 2025-11-06 Daniel J. Long , Edmund Tarleton , Alan C. F. Cocks , Felix Hofmann

A temperature-dependent approach involving Green-Kubo equilibrium atomic and spin dynamics (GKEASD) is reported to assess phonon and magnon thermal transport processes accounting for phonon-magnon interactions. Using body-center cubic (BCC)…

Mesoscale and Nanoscale Physics · Physics 2020-07-01 Yanguang Zhou , Julien Tranchida , Yijun Ge , Jayathi Y. Murthy , Timothy S. Fisher

Controlling thermal transport at the nanoscale is vital for many applications. Previously, it has been shown that this control can be achieved with periodically nanostructured two-dimensional phononic crystals, for the case of suspended…

Mesoscale and Nanoscale Physics · Physics 2024-06-12 Samuli Heiskanen , Tuomas Puurtinen , Ilari J. Maasilta

The temperature-dependent phonons are a generalization of interatomic force constants varying in T, which as found widespread use in computing the thermal transport of materials. A formal justification for using this combination to access…

Materials Science · Physics 2025-01-31 Aloïs Castellano , J. P. Alvarinhas Batista , Olle Hellman , Matthieu J. Verstraete

Thermal engineering of quantum devices has attracted much attention since the discovery of quantized thermal conductance of phonons. Although easily submerged in numerous excitations in macro-systems, quantum behaviors of phonons manifest…

Materials Science · Physics 2020-10-02 Xiaobin Chen , Yizhou Liu , Wenhui Duan

One of the ways natural and synthetic systems regulate temperature is via circulating fluids through vasculatures embedded within their bodies. Because of the flexibility and availability of proven fabrication techniques, vascular-based…

Numerical Analysis · Mathematics 2023-03-14 K. B. Nakshatrala , K. Adhikari

Controlling the direction and magnitude of both heat and electronic currents using rectifiers has significant implications for the advancement of molecular circuit design. In order to facilitate the implementation of new transport phenomena…

Mesoscale and Nanoscale Physics · Physics 2019-08-02 Galen T. Craven , Dahai He , Abraham Nitzan

This paper studies thermal transport in nanoporous silicon with a significant specific surface area. First, the equilibrium molecular dynamics approach was used to obtain the dependence of thermal conductivity on a specific surface area.…

Mesoscale and Nanoscale Physics · Physics 2023-05-15 Mykola Isaiev , Yuliia Mankovska , Vasyl Kuryliuk , David Lacroix

Nanoporous materials are a promising platform for thermoelectrics in that they offer high thermal conductivity tunability while preserving good electrical properties, a crucial requirement for high- effciency thermal energy conversion.…

Materials Science · Physics 2017-09-20 Giuseppe Romano , Jeffrey C. Grossman

Motivated by thermal conductivity experiments in spin chain compounds, we propose a phenomenological model to account for a ballistic magnetic transport coupled to a diffusive phononic one, along the line of the seminal two-temperature…

Statistical Mechanics · Physics 2021-08-04 P. Zavitsanos , X. Zotos

Controlling the transport of thermal energy is key to most applications of metal-organic frameworks. Analyzing the evolution of the effective local temperature, the interfaces between the metal nodes and the organic linkers are identified…

We numerically investigate thermal transport at solid-solid interfaces with graded intermediate layers whose masses vary exponentially from one side to the other. Using Non-Equilibrium Green's Function and Non-Equilibrium Molecular Dynamics…

Separating electron and phonon thermal conductivity components is imperative for understanding the principle thermal transport mechanisms in metals and highly desirable in many applications. In this work, we predict the mode-dependent…

Materials Science · Physics 2019-10-23 Zhen Tong , Shouhang Li , Xiulin Ruan , Hua Bao

In low-dimensional systems, the combination of reduced dimensionality, strong interactions, and topology has led to a growing number of many-body quantum phenomena. Thermal transport, which is sensitive to all energy-carrying degrees of…

This review provides a comprehensive study of the nonlinear transport properties of magnons, which are electrically emitted or absorbed inside extended YIG films by spin transfer effects via a YIG$\vert$Pt interface. Our purpose is to…

We follow the nonequilibrium Green's function formalism to study time-dependent thermal transport in a linear chain system consisting of two semi-infinite leads connected together by a coupling that is harmonically modulated in time. The…

Mesoscale and Nanoscale Physics · Physics 2010-08-18 Eduardo C. Cuansing , Jian-Sheng Wang

Thermal transport is an important energy transfer process in nature. Phonon is the major energy carrier for heat in semiconductor and dielectric materials. In analogy to Ohm's law for electrical conductivity, Fourier's law is a fundamental…

Statistical Mechanics · Physics 2012-11-27 Sha Liu , Xiangfan Xu , Rongguo Xie , Gang Zhang , Baowen Li

The thermal properties of a material with a spatio-temporal modulation in both the thermal conductivity and the mass density are studied. The special configuration studied here consists of a modulation in a wave-like fashion. It is found…

Materials Science · Physics 2018-03-28 Daniel Torrent , Olivier Poncelet , Jean-Chirstophe Batsale

Nanoconfinement induces many intriguing non-Fourier heat conduction phenomena that have been extensively studied in recent years, such as the nonlinear temperature profile inside the devices, the temperature jumps near the contacts, and the…

Mesoscale and Nanoscale Physics · Physics 2019-10-16 Yue Hu , Xiaokun Gu , Tianli Feng , Zheyong Fan , Hua Bao

Predictive modeling of the phonon/thermal transport properties of materials is vital to rational design for a diverse spectrum of engineering applications. Classical Molecular Dynamics (MD) simulations serve as a tool to simulate the time…