Dataset

WBe_PRB2019


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Name WBe_PRB2019
Extended ID WBe_PRB2019__Wood-Cusentino-Wirth-Thompson__DS_yq2whjjndyq5_0
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.
Authors Mitchell A. Wood
Mary Alice Cusentino
Brian D. Wirth
Aidan P. Thompson
DOI 10.60732/7500db4b
https://commons.datacite.org/doi.org/10.60732/7500db4b
https://doi.datacite.org/dois/10.60732%2F7500db4b
https://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.
For other citation formats, see the DataCite Fabrica page for this dataset.
Calculated Property Types atomic_forces
cauchy_stress
energy
Elements Be (50.12%)
W (49.88%)
Number of Configurations 25,120
Number of Atoms 525,915
Links https://github.com/FitSNAP/FitSNAP/tree/master/examples/WBe_PRB2019
https://doi.org/10.1103/PhysRevB.99.184305
Configuration Sets by Name
Configuration Sets by ID
Calculated Properties
ColabFit ID DS_yq2whjjndyq5_0
Files colabfitspec.json

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