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solid-NaCl-under-compression

Compression of NaCl crystal

Description

The simulation consists of a block of NaCl atoms. The box size along x is reduced progressively. This video has been made with this script.

How to

Run the make-LAMMPS-data.ipynb script using Jupyter notebook. Execute the input.lammps file using LAMMPS. Visualise the dump file using VMD. If you are new to LAMMPS and VMD, you can find tutorials and instructions here.

Find LAMMPS tutorial

If you are new to LAMMPS, you can find tutorials and instructions here.

Contact

Feel free to contact me by email if you have inquiries. You can find contact details on my personal page.