Dataset
WBe_PRB2019
Species content of dataset
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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 (50.17%)
W (49.83%) |
| Number of Configurations | 25,055 |
| Number of Atoms | 524,332 |
| Publication Link | https://doi.org/10.1103/PhysRevB.99.184305 |
| Data Source Link | https://github.com/FitSNAP/FitSNAP/tree/master/examples/WBe_PRB2019 |
| Configuration Sets by Name | |
| Configuration Sets by ID | |
| ColabFit ID | DS_yq2whjjndyq5_0 |
| Downloads | 8 |
| Files | colabfitspec.json |
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