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Dynamic Modeling of Intrinsic Self-Healing Polymers Using Deep Learning.

Hashina Parveen Anwar Ali1,2, Zichen Zhao3, Yu Jun Tan4

  • 1Department of Materials Science and Engineering, National University of Singapore, 9 Engineering Drive 1, Singapore117575, Singapore.

ACS Applied Materials & Interfaces
|November 8, 2022
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Summary

This study introduces the self-healing property evolution using energy functional dynamical (SPEED) model to predict polymer mechanics from healing images. This machine learning approach bypasses destructive testing for dynamic property analysis.

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AI materials discoverydata-driven modelingdynamical systemsmachine learningself-healingtoughness

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Area of Science:

  • Materials Science
  • Polymer Science
  • Computational Mechanics

Background:

  • Traditional characterization of self-healing polymers relies on destructive testing, limiting dynamic property analysis.
  • Understanding the mechanics of polymer self-healing often requires complex theoretical derivations or simulations post-experiment.

Purpose of the Study:

  • To propose a novel model, the self-healing property evolution using energy functional dynamical (SPEED) model, for predicting polymer self-healing mechanics.
  • To enable the prediction of macroscopic property evolution using dynamic imaging and machine learning, avoiding destructive testing.

Main Methods:

  • Developed an energy functional minimization (EFM) model to extract dynamical systems from time-series 2D cut images of self-healing polymers.
  • Integrated the EFM model with a static property prediction model to create the SPEED model.
  • Trained the machine learning (ML) model using a large dataset of healing polymer images (over 100,000 frames).

Main Results:

  • The SPEED model successfully predicted the temporal evolution of material properties, specifically toughness, in a self-healing conductive polymer.
  • Demonstrated that the model can capture the underlying physics of self-healing dynamics, including potential and interface energies.
  • Validated the model's ability to predict macroscopic property evolution with minimal training data.

Conclusions:

  • The SPEED model offers a non-destructive method to predict the dynamic evolution of self-healing polymer properties.
  • This approach significantly advances the understanding and characterization of self-healing materials by providing temporal insights.
  • The methodology is applicable to various self-healing polymers, facilitating efficient material property prediction.