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Scripts for "Beam Induced Heating..."

Scripts for the article "Beam induced heating in electron microscopy modeled with machine learning interatomic potentials"

Authors: Cuauhtemoc Nuñez Valencia, William Bang Lomholdt, Matthew Helmi Leth Larsen, Thomas W. Hansen, and Jakob Schiøtz.

Affiliation: Technical University of Denmark

These scripts belong to the data repository at DOI: 10.11583/DTU.24271543 but cannot be published there for legal reasons.

A preprint of the article is available at arXiv:2309.16239.

Content:

  • produceplots.ipynb Jupyter Notebook file for producing the figures of the manuscript based on the data in the data repository referenced above.

  • TiO2/heattransport.py The script for running the heat transport molecular dynamics simulation with the Au-TiO2 potential.

  • hBN/heattransport.py The script for running the heat transport molecular dynamics simulation with the Au-hBN potential.

License:

These scripts are made available here under the MIT License (Open Source).

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