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Low lattice thermal conductivity is essential for high thermoelectric performance of a material. Lattice thermal conductivity is often computed using density functional theory (DFT), typically at a high computational cost. Training machine…

Materials Science · Physics 2021-09-30 Rasmus Tranås , Ole Martin Løvvik , Oliver Tomic , Kristian Berland

Knowledge of thermal properties is essential to design and evaluate thermal systems and processes using nanofluids. This paper presents different analytical models to predict thermal conductivity and viscosity. The efforts have been made to…

Fluid Dynamics · Physics 2021-02-25 Shankar Durgam , Ganesh Kadam

The Mori's projection method, known as memory function method is an important theoretical formalism to study various transport coefficients. In the present work, we calculate the dynamical thermal conductivity in the case of metals using…

Strongly Correlated Electrons · Physics 2016-09-21 Pankaj Bhalla , Pradeep Kumar , Nabyendu Das , Navinder Singh

Thermal conductivities $\Lambda $ of amorphous carbon thin films are measured in the temperatures range 80--400 K using the $3\omega $ method. Sample films range from soft a-C:H prepared by remote-plasma deposition ($\Lambda = 0.20$ W…

Materials Science · Physics 2009-10-31 Andrew J. Bullen , Keith E. O'Hara , David G. Cahill , Othon Monteiro , Achim von Keudell

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

Thermal conductivities are routinely calculated in molecular dynamics simulations by keeping the boundaries at different temperatures and measuring the slope of the temperature profile in the bulk of the material, explicitly using Fourier's…

Statistical Mechanics · Physics 2021-04-13 Yuanyang Ren , Kai Wu , David Cubero

Thermal conductivity and interfacial thermal conductance play crucial roles in the design of engineering systems where temperature and thermal stress are of concerns. To date, a variety of measurement techniques are available for both bulk…

Materials Science · Physics 2016-12-09 Dongliang Zhao , Xin Qian , Xiaokun Gu , Saad Ayub Jajja , Ronggui Yang

For $\beta$-$\mathrm{Ga_2O_3}$ only little information exist concerning the thermal properties, especially the thermal conductivity $\lambda$. Here, the thermal conductivity is measured by applying the electrical 3$\omega$-method on…

Materials Science · Physics 2015-02-10 Martin Handwerg , Rüdiger Mitdank , Zbigniew Galazka , Saskia F. Fischer

We investigated the accelerated prediction of the thermal conductivity of materials through end- to-end structure-based approaches employing machine learning methods. Due to the non-availability of high-quality thermal conductivity data, we…

Materials Science · Physics 2023-11-07 Yagyank Srivastava , Ankit Jain

First-principles based modeling on phonon dynamics and transport using density functional theory and Boltzmann transport equation has proven powerful in predicting thermal conductivity of crystalline materials, but it remains unfeasible for…

Materials Science · Physics 2019-07-23 Xin Qian , Shenyou Peng , Xiaobo Li , Yujie Wei , Ronggui Yang

Significant differences exist among literature for thermal conductivity of various systems computed using molecular dynamics simulation. In some cases, unphysical results, for example, negative thermal conductivity, have been found. Using…

Materials Science · Physics 2012-06-26 X. W. Zhou , S. Aubry , R. E. Jones , A. Greenstein , P. K. Schelling

The thermo-electrical properties of a complex silicon cantilever structure used in thermal scanning probe lithography are modeled based on well established empirical laws for the thermal conductivity in silicon, the electrical conductivity…

Materials Science · Physics 2017-11-28 M. Spieser , C. Rawlings , E. Lörtscher , U. Duerig , A. W. Knoll

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

Measuring the thermal conductivity ($\kappa$) of water at extreme conditions is a challenging task and few experimental data are available. We predict $\kappa$ for temperatures and pressures relevant to the conditions of the Earth mantle,…

Materials Science · Physics 2023-05-10 Cunzhi Zhang , Marcello Puligheddu , Linfeng Zhang , Roberto Car , Giulia Galli

In recent years, nanostructuring of dielectric and semiconducting crystals has enhanced controllability of their thermal conductivity. To carry out computational material search for nanostructured materials with desirable thermal…

Mesoscale and Nanoscale Physics · Physics 2016-02-23 Takuma Shiga , Daisuke Aketo , Lei Feng , Junichiro Shiomi

Coherent thermal emission for a given polarization has been observed in many metamaterials with micro/nanostructures. A complete description of the thermal emission requires the full characterization of the spectral angular emissivity for…

Optics · Physics 2022-12-21 Chiyu Yang , Wenshan Cai , Zhuomin M. Zhang

Reliable evaluation of the lattice thermal conductivity is of importance for optimizing the figure-of-merit of thermoelectric materials. Traditionally, when deriving the phonon mediated thermal conductivity $\kappa_{ph} = \kappa -…

Materials Science · Physics 2014-08-15 M. X. Chen , R. Podloucky

We have developed a transient thermoreflectance technique using picosecond pulsed and cw laser to study thermal conductivity and interface conductance in both thin-films and bulk materials. A real time-resolved system observes a thermal…

Materials Science · Physics 2021-08-27 Jihoon Jeong , Xianghai Meng , Ann Kathryn Rockwell , Seth R Bank , Wen-Pin Hsieh , Jung-fu Lin , Yaguo Wang

Understanding the electronic transport properties of iron under high temperatures and pressures is essential for constraining geophysical processes. The difficulty of reliably measuring these properties under Earth-core conditions calls for…

Materials Science · Physics 2023-03-15 Kushal Ramakrishna , Mani Lokamani , Andrew Baczewski , Jan Vorberger , Attila Cangi

The Earth acts as a gigantic heat engine driven by decay of radiogenic isotopes and slow cooling, which gives rise to plate tectonics, volcanoes, and mountain building. Another key product is the geomagnetic field, generated in the liquid…

Geophysics · Physics 2015-06-04 Monica Pozzo , Chris Davies , David Gubbins , Dario Alfè