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The Theoretical Study of Kink Deformation in Graphite Based on Differential Geometric Method
Xiao-Wen Lei1,2, Shungo Shimizu1, Jin-Xing Shi3
1Department of Mechanical Engineering, University of Fukui, 3-9-1 Bunkyo, Fukui 910-8507, Japan.
Nanomaterials (Basel, Switzerland)
|March 26, 2022
Summary
Kink deformation in graphite occurs around 0.02 strain, with potential energy increasing proportionally. A new differential geometric method using mean curvature can predict this interlayer deformation in layered materials.
Area of Science:
- Materials Science
- Nanotechnology
- Computational Physics
Background:
- Kink deformation is a common phenomenon in laminated materials.
- Graphite, with its stacked graphene layers, exhibits a unique laminated structure relevant to carbon nanomaterials.
Purpose of the Study:
- To investigate interlayer deformation in graphite under compression using molecular dynamics simulations.
- To propose a novel differential geometrical method for evaluating kink deformation.
- To explore the mechanism and mechanical behaviors of kink deformation in nanoscale graphite.
Main Methods:
- Molecular dynamics simulations were employed to model interlayer deformation of graphite under compression.
- A differential geometrical method, utilizing mean curvature, was developed to quantify kink deformation.
- The influence of the number of graphene layers and lattice chirality on deformation and stress-strain behavior was analyzed.
Main Results:
- Kink deformation was observed in compressed graphite at approximately 0.02 strain.
- The potential energy of compressed graphite increased proportionally with increasing compressive strain.
- The study detailed the effects of layer count and lattice chirality on kink deformation and mechanical responses.
Conclusions:
- The proposed differential geometric method effectively evaluates kink deformation in nanoscale graphite.
- This method has the potential for broader application in predicting interlayer deformation in micro- and macro-scale laminated structures.
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