Predicting ductility in quaternary B2-like alloys
Abstract
Although intermetallics with a B2-type crystal structure are typically brittle, a class of B2 intermetallics that demonstrates unusually high ductility has been reported. A set of recently developed B2-like quaternary precious metal-rare earth alloys also includes compositions with significant ductility. To predict ductility in these systems, we have adapted a computational energy-based metric based on slip systems and relative stability of planar defects, developed to predict ductility in B2 binary systems, for use with quaternary B2-like alloys. The computational metric successfully predicts the experimentally-determined ductility or brittleness of 15 B2-like quaternary precious metal-rare earth and refractory alloys.
Additional Information
© 2021 American Physical Society. Received 1 October 2020; accepted 1 February 2021; published 11 March 2021. Thank you to Bailey Meyer and Kyla Scott for production and initial characterization of the new quaternary alloys and to Dr. Karen Privat at the UNSW Electron Microscope Unit and Dr. Caitlin Healy for contributions to their characterization work. Thank you to Dr. Ruoshi Sun and Prof. Duane D. Johnson for correspondence regarding their paper. We acknowledge the support of NSF Grant No. OISE-1559403, the Jude and Eileen Laspa Fellowship at Harvey Mudd College, and the Rose Hills Foundation Science and Engineering Summer Undergraduate Research Fellowship program. This material is based upon work supported by the US Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, Department of Energy Computational Science Graduate Fellowship to J.L.K. under Award No. DE-FG02-97ER25308. A.P.J. acknowledges support from DOE Grant No. DE-SC0019053. This work used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation Grant No. ACI-1548562 [39]. The authors acknowledge the Texas Advanced Computing Center (TACC) at the University of Texas at Austin for providing high performance computing resources that have contributed to the research results reported within this paper.Attached Files
Published - PhysRevMaterials.5.033604.pdf
Supplemental Material - HwangSupplementary.pdf
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Additional details
- Eprint ID
- 108415
- Resolver ID
- CaltechAUTHORS:20210312-133700745
- OISE-1559403
- NSF
- Harvey Mudd College
- Rose Hills Foundation
- DE-FG02-97ER25308
- Department of Energy (DOE)
- DE-SC0019053
- Department of Energy (DOE)
- ACI-1548562
- NSF
- Created
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2021-03-12Created from EPrint's datestamp field
- Updated
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2021-11-16Created from EPrint's last_modified field