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Mechanical properties of Graphene: Molecular dynamics simulations correlated to continuum based scaling laws
- Authors
- Javvaji, B.; Budarapu, P. R.; Sutrakar, V. K.; Mahapatra, D. Roy; Paggi, M.; Zi, G.; Rabczuk, T.
- Issue Date
- 12월-2016
- Publisher
- ELSEVIER
- Keywords
- Graphene fracture; Molecular dynamics; Size-scale effects; Size effect law; Multifractal scaling law; Lattice orientation effect
- Citation
- COMPUTATIONAL MATERIALS SCIENCE, v.125, pp.319 - 327
- Indexed
- SCIE
SCOPUS
- Journal Title
- COMPUTATIONAL MATERIALS SCIENCE
- Volume
- 125
- Start Page
- 319
- End Page
- 327
- ISSN
- 0927-0256
- Abstract
- In this paper, the combined effect of domain size, lattice orientation and crack length on the mechanical properties of Graphene, namely the yield strength and strain, are studied extensively based on molecular dynamics simulations. Numerical predictions are compared with the continuum- based laws of size effect and multifractal scaling. The yield strength is found to vary with the specimen size as approximate to L-1/3, which is in agreement with the multifractal scaling law, and with the inverse square of the initial crack length as approximate to a(0)(1/2), according to the Griffith's energy criterion for fracture. (C) 2016 Elsevier B.V. All rights reserved.
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