Dataset: Experimental characterization and atomistic simulation of grain boundary segregation in Mg-Y alloys

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Published: 3 months ago Views: 56 Downloads: 1 DOI: 10.13011/m3-da3d-2b58 License: No license Size: 7.19 GB
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  • Qianying Shi
  • Vaidehi Menon
  • Liang Qi
  • John Allison

This dataset supplements the publication “Experimental characterization and atomistic simulation of grain boundary segregation in Mg-Y alloys” on Journal of Magnesium and Alloys. It compiles the experimental investigation results including EBSD, STEM, and EDS characterization. Please note, the meta-data provided will be updated over time. We reserve the right to update this dataset without notification. If you would like to be notified of changes, please email Qianying Shi at shiqiany@umich.edu.

As a rare earth solute element in Mg alloys, Y has the beneficial effects of increasing both the strength and the ductility as well as weakening the crystallographic texture. To achieve a more fundamental understanding on how Y addition affects the microstructural evolution and mechanical properties, the Y segregation behavior at grain boundaries was investigated in Mg-1wt.%Y and Mg-7wt.%Y alloys at different conditions. The segregation intensity and its dependence on the grain boundary misorientation angle were experimentally characterized and computationally predicted. Strong segregation at grain boundaries was observed in both low and high Y-containing alloys. Y segregation was found to remain in alloy Mg-7Y after high-temperature annealing heat treatment at 540 C. No direct correlation between the Y segregation intensity and the grain boundary misorientation angle could be established based on either the experimental characterization or the atomistic simulation with a spectral model. We thus conclude that grain boundary segregation of Y is independent of grain boundary misorientation angle.

Funded by U.S. Department of Energy, Office of Basic Energy Science, Division of Materials Science and Engineering (Grant award number DE-SC0008637). Authors acknowledge the access to and the support from Michigan Center for Materials Characterization (MC2) at University of Michigan and CanmetMATERIALS, Natural Resources Canada who provided the materials used in this investigation. This work used the Extreme Science and Engineering Discovery Environment (XSEDE) Stampede2 at the TACC through allocation TG-MSS160003. This research also used resources of the National Energy Research Scientific Computing Center (NERSC), a U.S. Department of Energy Office of Science User Facility operated under Contract No. DE-AC02-05CH11231.

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