Combinatorial atomistic-to-AI prediction and experimental validation of heating effects in 350 F supercapacitor modules

Zheng Bo, Haowen Li, Huachao Yang, Changwen Li, Shenghao Wu, Chenxuan Xu, Guoping Xiong, Davide Mariotti, Jianhua Yan, Kefa Cen, Kostya (Ken) Ostrikov

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Accurately predicting thermal behavior is critically important in the real-world thermal management of supercapacitor modules with ultrahigh power and discharging current. In this work, an artificial intelligence approach based on the improved multiscale coupled electro-thermal model is employed for the first time to accurately predict the thermal behavior of a 350 F supercapacitor module under air-cooling conditions. Different from previous work that used commercial cells, the 350 F supercapacitors are fabricated from our proprietary pilot-scale production line. This approach provides a platform to precisely measure the structural parameters, electrical and thermal properties of electrodes and electrolytes (e.g., the temperature/current dependent equivalent series resistance and axial/radial thermal characteristics), which can improve the model for characterizing the irreversible heat generation and thermal transport processes. In particular, coupled with molecular dynamics simulations, the molecular origin of entropy is revealed via probing the atomic-level information (e.g., 1D/2D electric double-layer structure, electrical field/potential distributions, areal capacitance, and diffusion kinetics) to accurately predict the reversible heat generation. As a consequence, the deviation between our improved model and experimental results is substantially reduced to below 5%. A deep neural network based on the long short-term memory (LSTM) approach is trained to build a temperature database for practical supercapacitor modules under different operating conditions (including charging/discharging currents, cooling airflow rates, and cycle duration). This work demonstrates the potential of LSTM in predicting the thermal behavior, which can be broadly used for industry-relevant thermal management applications.
Original languageEnglish
Article number121075
Pages (from-to)121075
Number of pages1
JournalInternational Journal of Heat and Mass Transfer
Early online date19 Feb 2021
Publication statusPublished (in print/issue) - 30 Jun 2021

Bibliographical note

Funding Information:
This work was supported by the National Natural Science Foundation of China (No. 51722604 and 51906211 ), Royal Society Newton Advanced Fellowship (No. 52061130218 ), China Postdoctoral Science Foundation (No. 2020T130574 and 2019M662048 ), and the State Key Laboratory of Clean Energy Utilization Open Fund (No. ZJUCEU2019002). Z.B. thanks the National Program for Support of Top-notch Young Professionals. K. O. acknowledges partial support from the Australian Research Council and QUT centre for Materials Science.

Publisher Copyright:
© 2021

Copyright 2021 Elsevier B.V., All rights reserved.


  • 350 F supercapacitor modules
  • Entropy
  • Irreversible and reversible heat
  • Long short term memory approach
  • Multiscale coupled electro-thermal model
  • Thermal management


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