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# Stress, potential energy and displacement fields in cracked graphene flakes under tension 

The dataset includes LAMMPS molecular dynamics results of cracked graphene flake under tension. Each simulation features a randomly generated defect (shape, location, etc. varied) under the same applied tensile load. 

The dataset includes the initial microstructures, visualizations of the atomic potential energy fields, stress fields, displacement fields, and other data. For each sample, statistical measures of the Von Mises stress field and potential energy field are included. 

Please cite:

```bibtex
@article{BuehlerFieldPerceiver2022,
  title   = {FieldPerceiver: Domain agnostic transformer model to predict multiscale physical fields and nonlinear material properties through neural ologs},
  author  = {M. J. Buehler},
  journal = {Materials Today},
  volume  = {57},
  pages   = {9-25},
  year    = {2022},
  url     = {https://doi.org/10.1016/j.mattod.2022.05.020},
  }
```

## Model setup and boundary conditions

Further details, see M.J. Buehler, Materials Today, 2022, https://doi.org/10.1016/j.mattod.2022.05.020. 

![image/png](https://cdn-uploads.huggingface.co/production/uploads/623ce1c6b66fedf374859fe7/yE6n_TzFqynToFcCp4C0L.png)
