Predicting the Mechanical Properties of Polyurethane Elastomers Using Machine Learning

Fang Ding; Lun-Yang Liu; Ting-Li Liu; Yun-Qi Li; Jun-Peng Li; Zhao-Yan Sun

doi:10.1007/s10118-022-2838-6

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Predicting the Mechanical Properties of Polyurethane Elastomers Using Machine Learning

RESEARCH ARTICLE | Updated：2023-01-18

- Predicting the Mechanical Properties of Polyurethane Elastomers Using Machine Learning
- Chinese Journal of Polymer Science Vol. 41, Issue 3, Pages: 422-431(2023)
- Affiliations：
  
  a.State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China
  b.School of Applied Chemistry and Engineering, University of Science and Technology of China, Hefei 230026, China
  c.Department of Polymer Materials and Engineering, College of Materials and Metallurgy, Guizhou University, Guiyang 550025, China
  d.State Key Laboratory of Advanced Technologies for Comprehensive Utilization of Platinum Metals, Sino-Platinum Metals Co. Ltd., Kunming 650106, China
- Author bio：
  
  yunqi@ciac.ac.cn (Y.Q.L.)
  lijunpeng@ipm.com.cn (J.P.L)
  zysun@ciac.ac.cn (Z.Y.S.)
- Funds：
- DOI：10.1007/s10118-022-2838-6
  CLC：
- Received：13 June 2022，
  
  Revised：2022-07-04，
  
  Accepted：06 July 2022，
  
  Online First：08 October 2022，
  
  Published：01 March 2023
- Accepted：
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Ding, F.; Liu, L. Y.; Liu, T. L.; Li, Y. Q.; Li, J. P.; Sun, Z. Y. Predicting the mechanical properties of polyurethane elastomers using machine learning. Chinese J. Polym. Sci. 2023, 41, 422–431

Fang Ding, Lun-Yang Liu, Ting-Li Liu, et al. Predicting the Mechanical Properties of Polyurethane Elastomers Using Machine Learning[J]. Chinese Journal of Polymer Science, 2023, 41(3): 422-431.
Ding, F.; Liu, L. Y.; Liu, T. L.; Li, Y. Q.; Li, J. P.; Sun, Z. Y. Predicting the mechanical properties of polyurethane elastomers using machine learning. Chinese J. Polym. Sci. 2023, 41, 422–431 DOI： 10.1007/s10118-022-2838-6.

Fang Ding, Lun-Yang Liu, Ting-Li Liu, et al. Predicting the Mechanical Properties of Polyurethane Elastomers Using Machine Learning[J]. Chinese Journal of Polymer Science, 2023, 41(3): 422-431. DOI： 10.1007/s10118-022-2838-6.

摘要

Predict the mechanical properties of polyurethane elastomers and construct a benchmark dataset with conserved chemical structure-composition-processing-mechanical properties relationship.

Abstract

Bridging the gap between the computation of mechanical properties and the chemical structure of elastomers is a long-standing challen

ge. To fill the gap

we create a raw dataset and build predictive models for Young’s modulus

tensile strength

and elongation at break of polyurethane elastomers (PUEs). We then construct a benchmark dataset with 50.4% samples remained from the raw dataset which suffers from the intrinsic diversity problem

through a newly proposed recursive data elimination protocol. The coefficients of determination (

s) from predictions are improved from 0.73−0.78 to 0.85−0.91 based on the raw and the benchmark datasets. The fitting of stress-strain curves using the machine learning model shows a slightly better performance than that for one of the well-performed constitutive models (

e.g.

the Khiêm-Itskov model). It confirmed that the black-box machine learning models are feasible to bridge the gap between the mechanical properties of PUEs and multiple factors for their chemical structures

composition

processing

and measurement settings. While accurate prediction for these curves is still a challenge. We release the raw dataset and the most representative benchmark dataset so far to call for more attention to tackle the long-standing gap problem.

关键词

Keywords

references

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