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Lattice orientation and crack size effect on the mechanical properties of Graphene

Budarapu, Pattabhi R. and Javvaji, B. and Sutrakar, V. K. and Mahapatra, D. Roy and Paggi, Marco and Zi, G. and Rabczuk, T. Lattice orientation and crack size effect on the mechanical properties of Graphene. International Journal of Fracture, 203 (1-2). pp. 81-98. ISSN 1573-2673 (2017)

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The effect of lattice orientation and crack length on the mechanical properties of Graphene are studied based on molecular dynamics simulations. Bond breaking and crack initiation in an initial edge crack model with 13 different crack lengths, in 10 different lattice orientations of Graphene are examined. In all the lattice orientations, three recurrent fracture patterns are reported. The influence of the lattice orientation and crack length on yield stress and yield strain of Graphene is also investigated. The arm-chair fracture pattern is observed to possess the lowest yield properties. A sudden decrease in yield stress and yield strain can be noticed for crack sizes <10 nm. However, for larger crack sizes, a linear decrease in yield stress is observed, whereas a constant yield strain of ≈≈0.05 is noticed. Therefore, the yield strain of ≈≈0.05 can be considered as a critical strain value below which Graphene does not show failure. This information can be utilized as a lower bound for the design of nano-devices for various strain sensor applications. Furthermore, the yield data will be useful while developing the Graphene coating on Silicon surface in order to enhance the mechanical and electrical characteristics of solar cells and to arrest the growth of micro-cracks in Silicon cells.

Item Type: Article
Identification Number: 10.1007/s10704-016-0115-9
Projects: FP7-PEOPLE-2010-IRSES "MultiFrac", ERC Grant No. 306622 “Multi-field and multi-scale Computational Approach to Design and Durability of PhotoVoltaic Modules”
Funders: European Research Council, Germany Science Foundation
Uncontrolled Keywords: Graphene fracture; Molecular dynamics; Bond elongation and rotation; Lattice orientation and initial crack size
Subjects: T Technology > T Technology (General)
T Technology > TH Building construction
T Technology > TJ Mechanical engineering and machinery
Research Area: Computer Science and Applications
Depositing User: Caterina Tangheroni
Date Deposited: 30 Jan 2017 10:33
Last Modified: 30 Jan 2017 11:33
URI: http://eprints.imtlucca.it/id/eprint/3647

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