• 文献标题:   Deep learning model to predict fracture mechanisms of graphene
  • 文献类型:   Article
  • 作  者:   LEW AJ, YU CH, HSU YC, BUEHLER MJ
  • 作者关键词:  
  • 出版物名称:   NPJ 2D MATERIALS APPLICATIONS
  • ISSN:  
  • 通讯作者地址:  
  • 被引频次:   19
  • DOI:   10.1038/s41699-021-00228-x
  • 出版年:   2021

▎ 摘  要

Understanding fracture is critical to the design of resilient nanomaterials. Molecular dynamics offers a way to study fracture at an atomistic level, but is computationally expensive with limitations of scalability. In this work, we build upon machine-learning approaches for predicting nanoscopic fracture mechanisms including crack instabilities and branching as a function of crystal orientation. We focus on a particular technologically relevant material system, graphene, and apply a deep learning method to the study of such nanomaterials and explore the parameter space necessary for calibrating machine-learning predictions to meaningful results. Our results validate the ability of deep learning methods to quantitatively capture graphene fracture behavior, including its fractal dimension as a function of crystal orientation, and provide promise toward the wider application of deep learning to materials design, opening the potential for other 2D materials.