.... Keywords: Deep convolutional neural network, Molecular dynamics (MD) simulations, fracture stress, Polycrystalline graphene, and Grain boundaries. INTRODUCTION Graphene [1], a single layer of carbon atoms tightly packed in a honeycomb lattice structure, has attracted extensive attention for both...

... Carolina 28223, USA ABSTRACT The fracture properties of various grain boundaries in graphene are investigated using the cohesive zone method (CZM). Molecular dynamics simulations are conducted using REBO2+S potential in order to develop a cohesive zone model for graphene grain boundaries using a double...