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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_NiaziCurtin__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

Cite as: Niazi, M. R., and Curtin, W. A. "solute strengthening of prism edge locations in Mg alloys." ColabFit, 2024.
For other citation formats, see the DataCite Fabrica page for this dataset.
Elements Mg (99.6%)
Zn (0.4%)
Number of Data Objects 94
Number of Configurations 94
Number of Atoms 28,615
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_x48fkxpyvg1u_0
Data Objects
ColabFit ID DS_b4o9n4n8b7sp_0
Files colabfitspec.json

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