/beam_induced_heating

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

Primary LanguageJupyter NotebookMIT LicenseMIT

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).