Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
7958563 | Computational Materials Science | 2016 | 9 Pages |
Abstract
The combined effect of lattice orientation (Fig. 1(a)), domain size and crack length (Fig. 1(b)) on the mechanical properties of Graphene, namely the yield strength and strain, are studied extensively based on molecular dynamics (MD) simulations. Numerical predictions are compared to the continuum-based laws of size effect and multifractal scaling. Stresses estimated from the MD simulations, around the crack tip before and after the first bond break for domain sizes 10 nm, 43 nm, 60 nm and 86 nm, when the lattice is oriented along (c) 0° and (d) 30°. Configurations just before and after the first bond break and after the second bond break, are shown in the first, second and third columns, respectively. The yield strength is found to vary with the specimen size as âLâ1/3, which is in agreement with the multifractal scaling law and as the inverse square of the initial crack length âa0-1/2, satisfying the Griffith's energy criteria for fracture.214
Related Topics
Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
B. Javvaji, P.R. Budarapu, V.K. Sutrakar, D. Roy Mahapatra, M. Paggi, G. Zi, T. Rabczuk,