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Understanding the realization of thermal equilibrium through the thermalization process in a many-body system is a fundamental and complex scientific question, bridging thermodynamics and classical dynamics and connecting to a host of…

Statistical Mechanics · Physics 2026-04-07 Zhenwei Yao

We study the thermal conduction behaviors of one-dimensional lattice models with asymmetry harmonic interparticle interactions in this paper. Normal thermal conductivity independent of the system size is observed when the lattice chains are…

Statistical Mechanics · Physics 2015-11-03 Yi Zhong , Yong Zhang , Jiao Wang , Hong Zhao

The phonon thermal conductivity of semiconducting periodic solids can be obtained using the lattice dynamics calculations along with the Boltzmann transport equation and with input from density functional theory calculations. These…

Mesoscale and Nanoscale Physics · Physics 2025-05-30 Ankit Jain , Yagyank Srivastava , Amey G. Gokhale , Nidheesh Virakante , Hardik L. Kagdada

Two-dimensional materials and their heterostructures have enormous applications in Electrochemical Energy Storage Systems (EESS) such as batteries. A comprehensive and solid understanding of these materials' thermal transport and mechanism…

Materials Science · Physics 2023-10-16 Dibakar Datta , Eon Soo Lee

This paper develops a new 2D/3D stochastic closed-loop geothermal system with a random hydraulic conductivity tensor. We use the finite element method (FEM) and the Monte Carlo method (MCM) to discrete physical and probability spaces,…

Numerical Analysis · Mathematics 2024-10-14 Yi Qin , Xinyue Gao , Lele Chen , Liangliang Jiang , Zhangxin Chen , Jian Li

Among all the properties required for the design of the next generation of PCM (density, heat capacity, thermal expansion, latent energy, volume change upon melting, corrosion rate, etc.) the thermal transport properties are by far the…

Materials Science · Physics 2021-09-28 Anh Thu Phan , Aïmen E. Gheribi , Patrice Chartrand

In aluminium electrolysis cells, a ledge of frozen electrolyte is formed, attached to the sides of the cell. The control of the side ledge thickness is essential in ensuring a reasonable lifetime for the cells. Numerical modelling of the…

Materials Science · Physics 2016-09-30 Aimen E. Gheribi , Patrice Chartrand

Mapping the thermal transport properties of materials at the nanoscale is of critical importance for optimizing heat conduction in nanoscale devices. Several methods to determine the thermal conductivity of materials have been developed,…

Mesoscale and Nanoscale Physics · Physics 2021-03-17 Oliver Braun , Roman Furrer , Pascal Butti , Kishan R. Thodkar , Ivan Shorubalko , Ilaria Zardo , Michel Calame , Mickael L. Perrin

The standard equilibrium Green-Kubo and nonequilibrium molecular dynamics (MD) methods for computing thermal transport coefficients in solids typically require relatively long simulation times and large system sizes. To this end, we revisit…

Materials Science · Physics 2019-03-05 Zheyong Fan , Haikuan Dong , Ari Harju , Tapio Ala-Nissila

Thermal energy storage using sensible heating of a solid storage medium is a potential low-cost technology for long-duration energy storage. To effectively get heat in and out of the solid material, channels of heat transfer fluid can be…

Applied Physics · Physics 2024-02-13 Shomik Verma , Colin Kelsall , Kyle Buznitsky , Alina LaPotin , Ashwin Sandeep , Asegun Henry

Nonequilibrium molecular dynamics (NEMD) has been extensively used to study thermal transport at various length scales in many materials. In this method, two local thermostats at different temperatures are used to generate a nonequilibrium…

Mesoscale and Nanoscale Physics · Physics 2020-01-08 Zhen Li , Shiyun Xiong , Charles Sievers , Yue Hu , Zheyong Fan , Ning Wei , Hua Bao , Shunda Chen , Davide Donadio , Tapio Ala-Nissila

Semiconductors with very low lattice thermal conductivities are highly desired for applications relevant to thermal energy conversion and management, such as thermoelectrics and thermal barrier coatings. Although the crystal structure and…

Materials Science · Physics 2021-07-13 Jiangang He , Yi Xia , Wenwen Lin , Koushik Pal , Yizhou Zhu , Mercouri G. Kanatzidis , Chris Wolverton

A systematic study was performed to measure the effective thermal conductivity of ceramic particle beds, a promising heat transfer and thermal energy storage media for concentrating solar power (CSP). The thermal conductivity of the ceramic…

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

The vast amount of computational studies on electrical conduction in solid-state electrolytes is not mirrored by comparable efforts addressing thermal conduction, which has been scarcely investigated despite its relevance to thermal…

Materials Science · Physics 2024-06-18 Davide Tisi , Federico Grasselli , Lorenzo Gigli , Michele Ceriotti

We have designed and developed a new experimental setup, based on the 3-omega method, to measure thermal conductivity, heat capacity and electrical resistivity of a variety of samples in a broad temperature range (2-550 K) and under…

Instrumentation and Detectors · Physics 2018-04-17 K. Shrestha , K. Gofryk

A comprehensive 3-D finite element formulation for the coupled thermoelastic system is proposed based on the Total Lagrangian framework to study the thermoelastic damping (TED) in small scale structures. The proposed formulation takes into…

Computational Engineering, Finance, and Science · Computer Science 2024-09-25 Saurabh Dixit

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

Prediction of lattice thermal conductivity is important to many applications and technologies, especially for high-throughput materials screening. However, the state-of-the-art method based on three-phonon scattering process is bound with…

Computational Physics · Physics 2019-05-24 Han Xie , Xiaokun Gu , Hua Bao

This study presents a data-driven spatial interpolation algorithm based on physics-informed graph neural networks used to develop national temperature-at-depth maps for the conterminous United States. The model was trained to approximately…

Geophysics · Physics 2024-03-18 Mohammad J. Aljubran , Roland N. Horne
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