| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1544611 | Physica E: Low-dimensional Systems and Nanostructures | 2014 | 5 Pages |
•We present a multiple component correlation model to predict the elastic properties of SLGS.•The correlation of geometric size, chirality and aspect ratio is considered in the model.•The model has a high precision with a lower relative error and a higher confidence level.•The model may be directly used to predict the mechanical properties of SLGS accurately.
A multiple component correlation model is first proposed to give an accurate prediction for the elastic modulus of single layer graphene sheets (SLGS). This model reflects the correlation of geometric size, chirality and aspect ratio by introducing two parameters, the graphene size and a coupling factor. The coupling factor may be used to reflect the chirality and aspect ratio simultaneously. Determination of the model coefficients is by using MD atomistic simulation. Precision of the prediction model is evaluated by relative error and confidence. The reliability of this model is verified by comparing with published data. It provides a convenient and effective prediction for elastic modulus of SLGS. It is beneficial to evaluate the complex macroscopic mechanical behavior of SLGS accurately.
Graphical abstractMultiple component correlation model and its prediction precision.Figure optionsDownload full-size imageDownload as PowerPoint slide
