Research data on the transferability of Zr-Zr interatomic potentials
Published: 12 June 2023| Version 1 | DOI: 10.17632/nr9n5bc6cg.1
Contributors:
, Patrick BurrDescription
The raw data produced for the study published in: Oliver G. Nicholls , Dillion G. Frost , Vidur Tuli , Jana Smutna , Mark R. Wenman , Patrick A. Burr, "Transferability of Zr-Zr interatomic potentials", Journal of Nuclear Materials (2023), <https://doi.org/10.1016/j.jnucmat.2023.154391> The dataset contains raw input and outputs from LAMMPS simulations used to evaluate and compare the transferability of interatomic Zr potentials. The numbering and names of folders correspond with the relevant sections of the paper. Further details provided in the README.md file
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Institutions
University of New South Wales
Categories
Materials Science, Zirconium Alloys, Molecular Dynamics, Zirconium, Materials Science Engineering, Nuclear Fuel