About this Abstract |
Meeting |
2nd World Congress on High Entropy Alloys (HEA 2021)
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Symposium
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2nd World Congress on High Entropy Alloys (HEA 2021)
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Presentation Title |
First-principles Investigation into Ductility of High Entropy B2-like Alloys
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Author(s) |
Emma Frances Cuddy, Emily Hwang, Jonas Kaufman, Adam Shaw, Kevin Laws, Aurora Pribram-Jones, Lori Bassman |
On-Site Speaker (Planned) |
Emma Frances Cuddy |
Abstract Scope |
Alloy compounds of the B2 crystal structure are known to exhibit minimal ductility due to their structural ordering and covalent bonding nature. However, some previously established B2 binary alloys and recently developed B2-structured precious metal-rare earth multicomponent alloys have demonstrated unusually high ductility. Previous work using density functional theory has successfully used the relative energies of stacking faults and antiphase boundaries on different slip planes to form a metric to indicate ductility in binary B2 and quaternary B2-like alloys. This study adapts the method for B2-like high entropy alloys with six elemental components. Due to the odd number of species on each sublattice, these also incorporate disorder for the first time. Disorder is approximated with special quasirandom structures, and particular attention is paid to alloys containing lanthanide elements due to their high prevalence in ductile B2-like alloys. |
Proceedings Inclusion? |
Undecided |