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Thermostats are dynamical equations used to model thermodynamic variables such as temperature and pressure in molecular simulations. For computationally intensive problems such as the simulation of biomolecules, we propose to average over…

Computational Physics · Physics 2011-05-13 A. A. Samoletov , C. P. Dettmann , M. A. J. Chaplain

Samples of heavy fermion compound CeCu6 were prepared by hot-press technique. Temperature-dependent (5-300 K) thermoelectric transport properties of the samples were measured. The dimensionless figure-of-merit (ZT) was optimized by varying…

Materials Science · Physics 2013-12-16 Mani Pokharel , Tulashi Dahal , Zhifeng Ren , Cyril Opeil

A half-Heusler material FeNb$_{0.8}$Ti$_{0.2}$Sb has been identified as a promising thermoelectric material due to its excellent thermoelectric performance at high temperatures. The origins of the efficient thermoelectric performance are…

Materials Science · Physics 2018-08-01 Hong-Jie Pang , Chen-Guang Fu , Hao Yu , Liu-Cheng Chen , Tie-Jun Zhu , Xiao-Jia Chen

Predictive models of thermodynamic properties of mixtures are paramount in chemical engineering and chemistry. Classical thermodynamic models are successful in generalizing over (continuous) conditions like temperature and concentration. On…

Thermal-electric conversion is crucial for smart energy control and harvesting, such as thermal sensing and waste heat recovering. So far, people are aware of two main ways of direct thermal-electric conversion, Seebeck and pyroelectric…

Mesoscale and Nanoscale Physics · Physics 2023-08-09 Jie Ren

The thermoelectric properties of a semiconduct quantum dot chain (SQDC) connected to metallic electrodes are theoretically investigated in the Coulomb blockade regime. An extended Hubbard model is employed to simulate the SQDC system…

Mesoscale and Nanoscale Physics · Physics 2013-01-11 David M. -T. Kuo , Yia-Chung Chang

In this paper, we propose an iterative convolution-thresholding method (ICTM) based on prediction-correction for solving the topology optimization problem in steady-state heat transfer equations. The problem is formulated as a constrained…

Numerical Analysis · Mathematics 2024-01-03 Huangxin Chen , Piaopiao Dong , Dong Wang , Xiao-Ping Wang

Thermoelectric (TE) generators can directly convert heat into electricity, but their performance is often constrained by limited temperature gradients. Here it is shown that width-modulated metamaterials with constrictions and expansions…

Applied Physics · Physics 2025-09-08 Xanthippi Zianni

We apply the Mori-Zwanzig projection operator formalism to obtain an expression for the frequency dependent specific heat c(z) of a liquid. By using an exact transformation formula due to Lebowitz et al., we derive a relation between c(z)…

Statistical Mechanics · Physics 2009-10-31 Peter Scheidler , Walter Kob , Arnulf Latz , Jurgen Horbach , Kurt Binder

In this article we propose and numerically implement a mathematical model for the simulation of three-dimensional semiconductor devices characterized by an heterogeneous material structure. The model consists of a system of nonlinearly…

Numerical Analysis · Mathematics 2013-07-12 A. Mauri , R. Sacco , M. Verri

Accurate prediction of thermodynamic properties is pivotal in chemical engineering for optimizing process efficiency and sustainability. Physical group-contribution (GC) methods are widely employed for this purpose but suffer from…

Chemical Physics · Physics 2025-01-28 Nicolas Hayer , Thorsten Wendel , Stephan Mandt , Hans Hasse , Fabian Jirasek

The conventional thermoelectric figure of merit and the power factor are not sufficient as a measure of thin film quality of thermoelectric materials, where the power conversion efficiency depends on the film dimensions. By considering the…

Applied Physics · Physics 2022-07-19 Kazuhiko Seki , Masakazu Mukaida , Qingshuo Wei , Takao Ishida

Thermodynamic geometry provides a physically transparent framework to describe thermodynamic processes in meso- and micro-scale systems that are driven by slow variations of external control parameters. Focusing on periodic driving for…

Quantum Gases · Physics 2023-04-14 Joshua Eglinton , Tuomas Pyharanta , Keiji Saito , Kay Brandner

This paper presents a method to simulate the thermal behavior of 3D systems using a graph neural network. The method discussed achieves a significant speed-up with respect to a traditional finite-element simulation. The graph neural network…

Computational Engineering, Finance, and Science · Computer Science 2022-09-29 Helios Sanchis-Alepuz , Monika Stipsitz

Comparison of the thermodynamic entropy with Boltzmann's principle shows that under conditions of constant volume the total number of arrangements in simple thermodynamic systems with temperature-independent heat capacities is TC/k. A…

General Physics · Physics 2009-11-13 David Sands

We study the physical processes at work at the interface of two thermoelectric generators (TEGs) thermally and electrically connected in series. We show and explain how these processes impact on the system's performance: the derivation of…

Materials Science · Physics 2015-01-27 Y. Apertet , H. Ouerdane , C. Goupil , Ph. Lecoeur

Predicting microstructure evolution during thermomechanical treatment is essential for determining the final mechanical properties of a material, yet conventional simulations based on Partial Differential Equations (PDEs) remain…

Materials Science · Physics 2026-03-26 Pungponhavoan Tep , Marc Bernacki

The principles of the thermoelectric phenomenon, including Seebeck effect, Peltier effect, and Thomson effect are discussed. The dependence of the thermoelectric devices on the figure of merit, Seebeck coefficient, electrical conductivity,…

Materials Science · Physics 2017-06-29 Ibrahim M Abdel-Motaleb , Syed M. Qadri

Self-heating in surrounding gate transistors can degrade its on-current performance and reduce lifetime. If a transistor heats/cools with time-constants less than the inverse of the operating frequency, a predictable, frequency-independent…

Instrumentation and Detectors · Physics 2016-09-02 SangHoon Shin , Muhammad Masuduzzaman , Muhammad Ashraful Alam

The temperature profile (TP) of the intracluster medium (ICM) is of primeval importance for deriving the dynamical parameters of the largest equilibrium systems known in the universe, in particular their total mass profile. Analytical…

Astrophysics · Physics 2009-10-31 S. Dos Santos
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