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THE ATOMISTIC STUDIES OF MECHANICAL BEHAVIOR OF GRAPHENE SHEET USING TERSOFF POTENTIAL

Author(s):
Damasceno, Daniela A. ; Mesquita, E. ; Rajapakse, R. K. N. D. ; Pavanello, Renato ; Gomes, JFS ; Meguid, SA
Total Authors: 6
Document type: Journal article
Source: PROCEEDINGS OF THE 7TH INTERNATIONAL CONFERENCE ON MECHANICS AND MATERIALS IN DESIGN (M2D2017); v. N/A, p. 2-pg., 2017-01-01.
Abstract

In this work the atomic-scale finite element method (AFEM), proposed by Liu et al. (2004), is used to describe the mechanical behaviour of graphene sheet having armchair edges. Nanomaterials as graphene sheet, carbon nanotubes (CNT) (IIjima, 1991), require many-body potential formulations. In this work the Tersoff potential is considered. Initially, in order to validate the AFEM implementation, the force-strain curve of perfect graphene sheet will be compared with molecular dynamics (MD) LAMMPS code. Additionally, the influence of the presence of crack on the ultimate tensile strength of graphene will be studied considering four different sized meshes. (AU)

FAPESP's process: 13/08293-7 - CCES - Center for Computational Engineering and Sciences
Grantee:Munir Salomao Skaf
Support Opportunities: Research Grants - Research, Innovation and Dissemination Centers - RIDC