Automatically Predicting Material Properties with Microscopic Images: Polymer Miscibility as an Example.

Journal: Journal of chemical information and modeling
Published Date:

Abstract

Many material properties are manifested in the morphological appearance and characterized using microscopic images, such as scanning electron microscopy (SEM). Polymer miscibility is a key physical quantity of polymer materials and is commonly and intuitively judged using SEM images. However, human observation and judgment of the images is time-consuming, labor-intensive, and hard to be quantified. Computer image recognition with machine learning methods can make up for the defects of artificial judging, giving accurate and quantitative judgment. We achieve automatic miscibility recognition utilizing a convolutional neural network and transfer learning methods, and the model obtains up to 94% accuracy. We also put forward a quantitative criterion for polymer miscibility with this model. The proposed method can be widely applied to the quantitative characterization of the microstructure and properties of various materials.

Authors

  • Zhilong Liang
    Institute for Artificial Intelligence of Tsinghua University (THUAI), Beijing National Research Center for Information Science and Technology (BNRist), and Department of Automation, Tsinghua University, Beijing 100084, P. R. China.
  • Zhenzhi Tan
    Department of Chemistry, Tsinghua University, Beijing 100084, P. R. China.
  • Ruixin Hong
    Institute for Artificial Intelligence of Tsinghua University (THUAI), Beijing National Research Center for Information Science and Technology (BNRist), and Department of Automation, Tsinghua University, Beijing 100084, P. R. China.
  • Wanli Ouyang
    Shanghai AI Laboratory, Shanghai, China.
  • Jinying Yuan
    Key Lab of Organic Optoelectronics and Molecular Engineering of Ministry of Education, Department of Chemistry, Tsinghua University, Beijing 100084, P. R. China.
  • Changshui Zhang