Hi everyone,

I'm currently working on a molecular dynamics (MD) simulation project where I'm investigating the behavior of vacancies and interstitials generated by displacement cascades. I'm particularly interested in quantifying and visualizing these defects.

I've been using Ovito software for visualization, but unfortunately, the functionalities I need for analyzing and visualizing displacement cascades require a paid subscription.

Does anyone have recommendations for alternative software (free/open-source) or Python code that could help me achieve the following?

  • Quantifying vacancy and interstitial concentrations: Tools to calculate the number of vacancies and interstitials within the simulation box.
  • Visualizing displacement cascades: Software capable of highlighting atom trajectories during the cascade event.

Any suggestions or pointers to relevant resources would be greatly appreciated!

Thanks,

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