Dataset
solute_strengthening_of_prism_edge_locations_in_Mg_alloys
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| Name | solute_strengthening_of_prism_edge_locations_in_Mg_alloys |
|---|---|
| Extended ID | solute_strengthening_of_prism_edge_locations_in_Mg_alloys__Niazi-Curtin__DS_b4o9n4n8b7sp_0 |
| Description | This dataset includes Mg and Mg-Zn alloy structures with solute atoms at the prism edge locations. The dataset was created to study the strengthening effect of solute atoms at the prism edge locations in Mg alloys. |
| Authors |
Masoud Rahbar Niazi W. A Curtin |
| DOI |
10.60732/95b38454
https://commons.datacite.org/doi.org/10.60732/95b38454 https://doi.datacite.org/dois/10.60732%2F95b38454 https://doi.org/10.60732/95b38454 Cite as: Niazi, M. R., and Curtin, W. A. "solute strengthening of prism edge locations in Mg alloys." ColabFit, 2024. https://doi.org/10.60732/95b38454. For other citation formats, see the DataCite Fabrica page for this dataset. |
| Calculated Property Types |
atomic_forces cauchy_stress energy |
| Elements |
Mg (99.6%) Zn (0.4%) |
| Number of Configurations | 94 |
| Number of Atoms | 28,615 |
| Links |
https://doi.org/10.24435/materialscloud:1e-c7 http://doi.org/10.1016/j.euromechsol.2023.105128 |
| Configuration Sets by Name |
solute_strengthening_of_prism_edge_locations_in_Mg_alloys_Mg_dislocation — Relaxed structures of Mg from solute_strengthening_of_prism_edge_locations_in_Mg_alloys solute_strengthening_of_prism_edge_locations_in_Mg_alloys_Mg_step — Relaxed structures of Mg with a removed extra atom to account for presence of edge dislocation; from {DATASET_NAME} solute_strengthening_of_prism_edge_locations_in_Mg_alloys_MgZn_2-atom — Structures of Mg-Zn with an additional solute atom to to pin edge dislocation; from {DATASET_NAME} solute_strengthening_of_prism_edge_locations_in_Mg_alloys_MgZn_perfect — Structures of MgZn with one Zn atom and no edge dislocation from solute_strengthening_of_prism_edge_locations_in_Mg_alloys solute_strengthening_of_prism_edge_locations_in_Mg_alloys_neigh — Calculations for Zn-Zn interaction energies at different distances and directions; from {DATASET_NAME} |
| Configuration Sets by ID |
CS_18kxdlooc1xt_0 CS_d6r9h4fibirr_0 CS_jrklr8pzf1lk_0 CS_x48fkxpyvg1u_0 CS_xraukzk1yt8z_0 |
| Calculated Properties | |
| ColabFit ID | DS_b4o9n4n8b7sp_0 |
| Files | colabfitspec.json |
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