Chinese Science Citation Database Core Library(CSCD)Source Journals
Chinese Core Journals
Chinese Core Science and Technology Journals
RCCSE China Authoritative Academic Journal(A+)
Dutch Digest and Citation Database (Scopus)

Comparative study of machine learning regression algorithms for predictingthermal energy storage performance of metal hydrides withhigh hydrogen density

2024 No. 12
179
70
OnlineView
Download
Authors:
YANG Yikun
WU Zhen
LIU Honghao
ZHANG Zaoxiao
Unit:
School of Chemical Engineering and Technology,Xi’an Jiaotong University
State Key Laboratory ofGreen Hydrogen and Electricity
Abstract:

Metal hydride thermal/hydrogen energy storage material is considered ideal candidate due to high energy density,wide workingtemperature range and lack of corrosive pollutants. Multi-component metal hydride alloys can be formed by doping with differentelements to obtain various target properties. However, conventional material development method relies on experimental synthesis,having the disadvantages of time-consuming and costly. Data-driven machine learning prediction model is capable of addressing thisproblem. By comparing varieties of regression algorithms such as least squares regression,least absolute shrinkage and selection operatorregression,ridge regression,elastic net regression,supporting vector regression,and random forest regression,the relationship betweenthe microscopic properties of metal hydride materials and their macroscopic formation energy are established. Results show that randomforest regression have the best prediction performance,with lowest relative errors on both the training and test sets of 3.078 and 8.2011,high R-squared values,and great generalization and regression abilities. SHAP analysis reveals extreme and mean value of ground stateatom of metal hydride exhibit the greatest SHAP value of 5.56 and 1.26,suggesting their significant influence on the formation energy.Analysis for the prediction value of Mg-base,Ca-base,AB type,AB2 type,and AB5 type metal hydrides shows the highest relative errorbelow 9%,further proving the accuracy and universality of the model for all types of metal hydride. This model can be used to predict theformation enthalpy of unknown datasets.

Keywords:
thermal application of solar energy
metal hydride
hydrogen and heat storage
machine learning
performance comparison
Citation format:
杨宜坤(1997—),男,河南三门峡人,博士。E-mail:yikun.yang@stu.xjtu.edu.cn
Chart:
Articles:
--
Citation format:
YANG Yikun,WU Zhen,LIU Honghao,et al. Comparative study of machine learning regression algorithms for predictingthermal energy storage performance of metal hydrides with high hydrogen density[J].Clean Coal Technology, 2024, 30(12):134−146.

About Journal

  • Executive director

    China Coal Science and Industry Group Co., Ltd

  • Sponsored by

    Coal Science Research Institute Co., Ltd
    Coal Industry Clean Coal Engineering
    Technology Research Center

  • Editor in Chief

    XIE Qiang

  • Vice Editor-in-Chief

    YU Chang
    SHI Yixiang
    ZHAO Yongchun
    DUAN Linbo
    CAO Jingpei
    ZENG Jie

  • Publication Frequencies

    Monthly

  • ISSN

    1006-6772

  • CN

    11-3676/TD

Covered by

  • CSTPCD
  • RCCSE(A+)
  • AJ
  • EBSCO host
  • Ulrichsweb
  • JST
  • Scopus

Contact us

New Media

  • Meichuanmei
    Meichuanmei
  • Clean Coal Technology
    Clean Coal Technology
  • Online Journals
    Online Journals
Website Copyright © {year} Clean Coal Technology
京ICP备05086979号-19
地址:Coal Tower, Hepingli, Chaoyang District, Beijing, China.
邮编:100013
Tel:86-10-87986452 / 010-87986451
E-mail:jjmjs@263.net