A plate model for multilayer graphene sheets and its finite element implementation via corotational formulation

• Published in: Computer methods in applied mechanics and engineering Vol. 325; pp. 102 - 138
• Main Authors: Kim, Moonhong, Im, Seyoung
• Format: Journal Article
• Language: English
• Published: Amsterdam Elsevier B.V 01.10.2017; Elsevier BV
• Subjects: Cantilever plates; Carbon; Computer simulation; Continuum modeling; Corotational formulation; Deformation; Finite element analysis; Finite element method; Graphene; Kinematics; Mathematical analysis; Mathematical models; Mechanical properties; Molecular dynamics; Molecular dynamics simulations; Molecular structure; Nonlinear analysis; Numerical analysis; Patch tests; Plane strain; Plate model; Plates (structural members); Sheets; Studies; Plate model; Molecular dynamics simulations; Graphene; Corotational formulation
• ISSN: 0045-7825; 1879-2138
• DOI: 10.1016/j.cma.2017.06.034

An equivalent continuum model for multilayer graphene sheets (MLGSs) and its plate model are developed to analyze the deformation behavior of MLGSs. Hyperelastic material models are introduced for the MLGS continuum model by examining the atomistic structures of MLGSs and obtaining their mechanical properties by means of molecular statics simulations. The MLGS plate model, a structural model for MLGSs, is developed by applying kinematics assumptions to the MLGS continuum model subjected to infinitesimal deformation. Finite element methods (FEM) with the corotational formulation are adopted to analyze the mechanical behavior of MLGSs under small-strain deformation and large rotation conditions. The MLGS plate element passes several basic numerical tests, including patch tests, eigenvalue analyses, and geometrically nonlinear benchmark problems. Finally, the deflections of a plane-strain cantilever and spherical indentations are analyzed by the proposed MLGS plate element and molecular dynamics (MD) simulations. These results show that the MLGS plate element properly represents the deformation behaviors of MLGSs from the atomic scale to the macroscopic continuum scale. •We present a plate finite element able to analyze deformation of MLGSs.•Interlayer slip and layer deformation are described by kinematics assumptions.•Corotational formulation is employed for small-strain deformations & large rotations.•The element is verified as a structural element and a continuum description of MLGSs.