Dataset

WBe_PRB2019


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Species content of dataset


Name :
WBe_PRB2019
Authors :
Mitchell A. Wood, Mary Alice Cusentino, Brian D. Wirth, Aidan P. Thompson
Description :
This data set was originally used to generate a multi-component linear SNAP potential for tungsten and beryllium as published in Wood, M. A., et. al. Phys. Rev. B 99 (2019) 184305. This data set was developed for the purpose of studying plasma material interactions in fusion reactors.
DOI :
https://doi.org/10.60732/7500db4b https://commons.datacite.org/doi.org/10.60732/7500db4b
Cite As :
Wood, M. A., Cusentino, M. A., Wirth, B. D., and Thompson, A. P. "WBe PRB2019." ColabFit, 2023. https://doi.org/10.60732/7500db4b.
ColabFit ID :
DS_yq2whjjndyq5_0
Extended ID :
WBe_PRB2019__Wood-Cusentino-Wirth-Thompson__DS_yq2whjjndyq5_0
Date Added :
2023-04-21
License :
CC-BY-4.0
Downloads :
36
Num. Configurations :
25,055
Num. Atoms :
524,332
Calculated Property Types :
atomic_forces cauchy_stress energy
Elements :
Be (50.17%) W (49.83%)
Methods :
DFT-PBE
Software :
VASP
Publication Link :
https://doi.org/10.1103/PhysRevB.99.184305
Data Source Link :
https://github.com/FitSNAP/FitSNAP/tree/master/examples/WBe_PRB2019
Spec File :
colabfitspec.json
Configuration Sets by Name :
Configuration Sets by ID :
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