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

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• 作者：P. R. Budarapu ; B. Javvaji ; V. K. Sutrakar…
• 关键词：Graphene fracture ; Molecular dynamics ; Bond elongation and rotation ; Lattice orientation and initial crack size
• 刊名：International Journal of Fracture
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：203
• 期：1-2
• 页码：81-98
• 全文大小：
• 刊物类别：Chemistry and Materials Science
• 刊物主题：Characterization and Evaluation of Materials; Classical Mechanics; Civil Engineering; Automotive Engineering; Mechanical Engineering;
• 出版者：Springer Netherlands
• ISSN：1573-2673
• 卷排序：203

文摘

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 \(\approx \)0.05 is noticed. Therefore, the yield strain of \(\approx \)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.