Name: solute strengthening of prism edge locations in Mg alloys
License: CC-BY-4.0

Dataset

solute_strengthening_of_prism_edge_locations_in_Mg_alloys

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 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.
Elements	Mg (99.6%) Zn (0.4%)
Number of Data Objects	94
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_x48fkxpyvg1u_0 CS_d6r9h4fibirr_0 CS_jrklr8pzf1lk_0 CS_xraukzk1yt8z_0 CS_18kxdlooc1xt_0
Data Objects	DO_1715037487009064546 DO_454089995312768363 DO_1602746114813262254 DO_1316950836239205991 DO_122202186275983569 DO_13823446511891619 DO_962031117411021788 DO_1529052178587308758 DO_1384226953844958872 DO_1944585515205375743 DO_1489165789507833064 DO_750760125865397098 DO_2261325675014672868 DO_335509493902496324 DO_292666706346913374 DO_438418540351979899 DO_2059283888038606815 DO_1556973010898888819 DO_810454620367110245 DO_1318905172879341832 DO_201761219265171360 DO_578596483273427127 DO_751623689317682111 DO_1674121905345583436 DO_1793268032555717315 DO_1533924411539416600 DO_1330358860283659754 DO_1930952783350945684 DO_2093462211809985898 DO_1699067888835664568 DO_90570363308130529 DO_1342263741753345610 DO_1740165135433939413 DO_1232180818000284488 DO_1151217941251803030 DO_1884938528751081687 DO_374038196506248729 DO_792062022808916486 DO_1852112432070977512 DO_1077730214511721385 DO_1769179780071855177 DO_950838143568354315 DO_933974730056015444 DO_399253808030432498 DO_2091854835859400633 DO_636163536511290202 DO_93549502644296507 DO_2223065174923388151 DO_1123299085065150561 DO_589986735754621413 DO_623406586841631267 DO_488388789885220800 DO_59853474597030874 DO_1085657331845084355 DO_1869090313029084338 DO_1414961561017594904 DO_1249266359335358607 DO_154459573799581432 DO_129368976009435972 DO_2257458329863274072 DO_590350371494113445 DO_1258800204429647047 DO_1327029347538159297 DO_250557003009625111 DO_2181017575565063325 DO_1644151704685559861 DO_634166836747722236 DO_95923952519813463 DO_476785618096182912 DO_1554486864899045719 DO_1909890727858614463 DO_1275479616702345677 DO_905984040227591290 DO_1409601368626193015 DO_1925057115983273979 DO_1679513640515023712 DO_492801931288683599 DO_1952510390987114832 DO_1586193068668267414 DO_41526993011837219 DO_1651446367170866063 DO_1435618035900644537 DO_2220981761390292174 DO_2122517792619202672 DO_1618699293716633193 DO_1355024747557608373 DO_591383282330883632 DO_380745152912948880 DO_428603795323525095 DO_1506832743403949405 DO_93832235353428108 DO_736083121113825074 DO_322800786165935489 DO_200487751523926455
ColabFit ID	DS_b4o9n4n8b7sp_0
Files	colabfitspec.json

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