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26–31 May 2024
Western University
America/Toronto timezone
Welcome to the 2024 CAP Congress Program website! / Bienvenue au siteweb du programme du Congrès de l'ACP 2024!

(UG*) Enhancing the Performance of Thermoelectric Materials by Integrating Computational Modelling and Machine Learning

28 May 2024, 15:15
15m
PAB Rm 106 (CAP. 96) (Physics & Astronomy Bldg., Western U.)

PAB Rm 106 (CAP. 96)

Physics & Astronomy Bldg., Western U.

Oral Competition (Undergraduate Student) / Compétition orale (Étudiant(e) du 1er cycle) Condensed Matter and Materials Physics / Physique de la matière condensée et matériaux (DCMMP-DPMCM) (DCMMP) T2-7 Material Properties | Propriétés des matériaux (DPMCM)

Speaker

Malavika Nair (University of Western Ontario)

Description

This research aims to enhance the performance of thermoelectric systems through a multifaceted approach combining computational modeling and machine learning techniques. The study focuses on analyzing quantum statistics within thermoelectric systems to uncover novel insights into alloy doping. We verified key derivations concerning the extrema of thermal, lattice thermal, and electrical conductivities as a function of temperature. Utilizing the analytical equations proposed by Yadav et al. (2019), we numerically verified and validated these equations, and discussed the theoretical predictions given in the paper. We developed a machine-learning model to predict thermoelectric figures of merit. With the use of the Polylogarithm and Lambert W functions, the model aims to provide optimal values for doping in thermoelectric alloys and seeks to identify compositions that can significantly enhance thermoelectric performance. This study involves a comprehensive analysis of the interplay between doping concentration, material properties, and thermoelectric efficiency. Our study endeavours to provide valuable insights into materials that advance thermoelectric technology to develop more efficient and sustainable energy conversion systems.

Keyword-1 Thermoelectric Materials
Keyword-2 Machine Learning
Keyword-3 Mathematical Modelling

Authors

Malavika Nair (University of Western Ontario) Xiyuan Li (University of Western Ontario) Prof. Pranawa Deshmukh (Indian Institute of Technology, Tirupati) Dr Ken Roberts (University of Western Ontario) Dr Najeh Jisrawi (University of Western Ontario) Prof. Sree Valluri (University of Western Ontario)

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