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We introduce a Monte--Carlo simulation approach to thermodynamic Bethe ansatz (TBA). We exemplify the method on one particle integrable models, which include a free boson and a free fermions systems along with the scaling Lee--Yang model…

High Energy Physics - Theory · Physics 2009-11-11 Doron Gepner

The thermal properties of bulk copper are investigated by performing ab initio DFT and DFPT calculations and using the quasiharmonic approximation for the free energy. Using both the LDA and the GGA for the exchange-correlation potential,…

Materials Science · Physics 2009-11-07 Shobhana Narasimhan , Stefano de Gironcoli

This paper analyzes a transient thermo-electromagnetic problem arising in the modeling of induction heating processes. Unlike previous studies that focused on steady-state scenarios, we consider a time-dependent thermal problem coupled with…

Numerical Analysis · Mathematics 2026-04-29 D. Gómez , B. López-Rodríguez , P. Salgado , P. Venegas

The thermal conductivity of Functionally Graded Materials (FGMs) can be efficiently designed through topology optimization to obtain thermal meta-structures that actively steer the heat flow. Compared to conventional analytical design…

Computational Engineering, Finance, and Science · Computer Science 2024-12-04 Chintan Jansari , Stéphane P. A. Bordas , Marco Montemurro , Elena Atroshchenko

We present an in-depth analysis of the sometimes understated role of the principle of energy conservation in linear irreversible thermodynamics. Our case study is that of a thermoelectric generator (TEG), which is a heat engine of choice in…

Statistical Mechanics · Physics 2013-09-02 Yann Apertet , Henni Ouerdane , Christophe Goupil , Philippe Lecoeur

We report an investigation of temperature- and doping-dependent thermoelectric behaviors of topological semimetal Cd3As2. The electrical conductivity, thermal conductivity, Seebeck coefficient, and figure of merit (ZT) are calculated by…

Materials Science · Physics 2016-11-22 Tong Zhou , Cheng Zhang , Huisheng Zhang , Faxian Xiu , Zhongqin Yang

The thermoelectric properties of the surface states in three-dimensional topological insulator nanowires are studied. The Seebeck coefficients $S_c$ and the dimensionless thermoelectrical figure of merit $ZT$ are obtained by using the…

Mesoscale and Nanoscale Physics · Physics 2018-07-04 Ning-Xuan Yang , Yan-Feng Zhou , Peng Lv , Qing-Feng Sun

New strategy is presented to optimize the performance of Thermoelectric (TE) coolers. This approach breaks optimizing TE coolers free from traditional methods of controlling temperature or engineering materials and the structural properties…

Systems and Control · Electrical Eng. & Systems 2024-07-26 Alireza Amiri-Margavi , Reza Jamali , Seyed Aria Hosseini , Farschad Torabi

We show how small-signal analysis, a standard method in electrical engineering, may be applied to thermoelectric device performance measurement by extending a dc model to the dynamical regime. We thus provide a physical ground to…

Mesoscale and Nanoscale Physics · Physics 2017-08-11 Y. Apertet , H. Ouerdane

A convenient model for estimating the total entropy ({\Sigma}Si) of atmospheric gases based on physical action is proposed. This realistic approach is fully consistent with statistical mechanics, but uses the properties of translational,…

Chemical Physics · Physics 2021-10-26 Ivan R. Kennedy , Harold Geering , Michael T. Rose , Angus N. Crossan

Here, we have investigated the thermoelectric properties of FeMnScGa alloy by combined use of full potential linearized augmented plane-wave (FP-LAPW) method and Boltzmann transport theory implemented in Wien2K and BoltzTraP code,…

Strongly Correlated Electrons · Physics 2020-12-02 Shubham Singh , Saurabh Singh , Nitinkumar Bijewar , Ashish Kumar

A paradigm shift in quantum thermometry is proposed. To date, thermometry has relied on local estimation, which is useful to reduce statistical fluctuations once the temperature is very well known. In order to estimate temperatures in cases…

Quantum Physics · Physics 2021-11-04 Jesús Rubio , Janet Anders , Luis A. Correa

Thin layers can lead to unfavorable meshes in a finite element (FE) analysis. Thin shell approximations (TSAs) avoid this issue by removing the need for a mesh of the thin layer while approximating the physics across the layer by an…

Computational Engineering, Finance, and Science · Computer Science 2024-11-08 Robert Hahn , Erik Schnaubelt , Mariusz Wozniak , Christophe Geuzaine , Sebastian Schöps

We present the method of the self-consistent calculation of thermodynamical and correlation functions. This approach is based on the GRPA (generalized random phase approximation) scheme with the inclusion of the mean field corrections.…

Statistical Mechanics · Physics 2016-08-31 I. V. Stasyuk , A. M. Shvaika , K. V. Tabunshchyk

We performed Boltzmann transport calculation to obtain the Seebeck coefficient, electrical conductivity, electronic thermal conductivity, and thermoelectric figure of merit (ZT) for Dirac systems. We found an enhancement of ZT due to the…

Mesoscale and Nanoscale Physics · Physics 2018-10-04 Eddwi H. Hasdeo , Lukas P. A. Krisna , Ahmad R. T. Nugraha

Thermoelectric materials can be used to convert heat to electric power through the Seebeck effect. We study magneto-thermoelectric figure of merit (ZT) in three-dimensional Dirac semimetal Cd$_3$As$_2$ crystal. It is found that enhancement…

Materials Science · Physics 2018-02-23 H. H. Wang , X. G. Luo , W. W. Chen , N. Z. Wang , B. Lei , F. B. Meng , C. Shang , L. K. Ma , T. Wu , X. Dai , Z. F. Wang , X. H. Chen

Semilocal density functionals for the exchange-correlation energy are needed for large electronic systems. The Tao-Perdew-Staroverov-Scuseria (TPSS) meta-generalized gradient approximation (meta-GGA) is semilocal and usefully accurate, but…

Materials Science · Physics 2009-06-30 John P. Perdew , Adrienn Ruzsinszky , Gabor I. Csonka , Lucian A. Constantin , Jianwei Sun

The recently introduced Thermodynamic Binding Networks (TBN) model was developed with the purpose of studying self-assembling systems by focusing on their thermodynamically favorable final states, and ignoring the kinetic pathways through…

Emerging Technologies · Computer Science 2018-02-09 Cameron Chalk , Jacob Hendricks , Matthew J. Patitz , Michael Sharp

The differential effective medium method (DEM) is presented from a physical viewpoint and employed to calculate the lattice thermal conductivity of nano-bulk composites comprising core-shell particles. Extended from the average-T-matrix…

Materials Science · Physics 2013-08-09 S. J. Poon , A. S. Petersen , Di Wu

We investigate the thermoelectric performance of 2D nanojunctions with gate tunable architectures and varying channel lengths from 3 to 12 nm using a combination of first principles simulations, including density functional theory, DFT with…

Mesoscale and Nanoscale Physics · Physics 2025-10-09 Yu-Chang Chen , Yu-Chen Chang