Published May 31, 2024
| Version v1
Dataset
Open
Data related to: Simulated TEM imaging of a heavily irradiated metal
Authors/Creators
-
1.
United Kingdom Atomic Energy Authority
Description
Data set related to article "Simulated TEM imaging of a heavily irradiated metal"
The data is the output of a simulation of single-crystal tungsten with periodic boundary conditions evolving under irradiation up to high dose (1 dpa). The simulation was done in LAMMPS, only every 100th snapshot in LAMMPS Dump format is uploaded here. A frame corresponds to a dose increment of 0.000167 dpa, i.e. frame 1000 corresponds to a dose of 0.167 dpa. The files are zipped. A finer resolution can be supplied upon request.
The simulations were performed for the article: 10.1103/PhysRevMaterials.6.063601, where more details on the simulations are found. The data is here made available for the article: 10.48550/arXiv.2401.14781.
The TEM simulation software is available at: https://github.com/mason-daniel/simulated_tem.
Files
Files
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md5:a48f1574c9d59d1f2da252170039e8d4
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249.9 MB | Download |
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md5:11fc8fa05a31bb21af143f4b91ef1b7d
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md5:fdd14edf475ad04f5aae6a9ba531d794
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243.7 MB | Download |
Additional details
Additional titles
- Subtitle
- Atomistic simulation data: 21 mio atoms, 1 dpa, irradiated tungsten microstructure
Related works
- Is published in
- Journal article: 10.1103/PhysRevMaterials.6.063601 (DOI)
- Preprint: arXiv:2401.14781v1 (arXiv)
Funding
Software
- Repository URL
- https://github.com/mason-daniel/simulated_tem
- Programming language
- Fortran
- Development Status
- Active