Peridynamic Simulation of Fracture in Polycrystalline Graphene

Liu，Xuefeng1; He，Xiaoqiao2,3; Oterkus，Erkan4; Yu，Peng1; Lu，Chun1

2022

10.1007/s42102-021-00073-y

Journal of Peridynamics and Nonlocal Modeling   影响因子和分区

2522-896X

2522-8978

Defect-free graphene is believed to be the strongest material. However, the effective strength of engineering used large-area graphene in which defects are inevitable is actually determined by the fracture toughness, rather than the intrinsic strength that governs the breakage of atomic bonds in perfect graphene. Due to the limitations of commonly adopted experiments, conventional continuum mechanics–based methods and fully atomistic simulations, fracture of polycrystalline graphene under uniaxial tensile load is explored by performing peridynamic (PD) simulations in this paper. The fracture strength, the fracture strain, and the fracture toughness of polycrystalline graphene, as well as the grain size effect and the temperature effect on such quantities, are studied in this work. The results show that the fracture strength of polycrystalline graphene and the grain size follows an inverse pseudo Hall–Petch relation. The fracture strain and the fracture toughness of polycrystalline graphene decrease with a decrease in the grain size. Increasing temperature can also weaken the fracture properties of graphene. The results can provide guidelines for the applications of polycrystalline graphene in nano devices. This study also expands the application of peridynamics and presents a new way to study the fracture of graphene.

Fracture Graphene Peridynamics

英语

第一 ; 通讯

2-s2.0-85130503683

Scopus

1.Department of Mechanics and Aerospace Engineering,Southern University of Science and Technology,Shenzhen,China
2.Center for Advanced Structural Materials,City University of Hong Kong Shenzhen Research Institute,Shenzhen,China
3.Department of Architecture and Civil Engineering,City University of Hong Kong,Hong Kong
4.Peridynamics Research Centre,Department of Naval Architecture,Ocean and Marine Engineering,University of Strathclyde,Glasgow,United Kingdom

Liu，Xuefeng,He，Xiaoqiao,Oterkus，Erkan,et al. Peridynamic Simulation of Fracture in Polycrystalline Graphene[J]. Journal of Peridynamics and Nonlocal Modeling,2022.

Liu，Xuefeng,He，Xiaoqiao,Oterkus，Erkan,Yu，Peng,&Lu，Chun.(2022).Peridynamic Simulation of Fracture in Polycrystalline Graphene.Journal of Peridynamics and Nonlocal Modeling.

Liu，Xuefeng,et al."Peridynamic Simulation of Fracture in Polycrystalline Graphene".Journal of Peridynamics and Nonlocal Modeling (2022).