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Predicting ductility in quaternary B2-like alloys

Hwang, Emily and Cuddy, Emma and Lin, Julianne and Kaufman, Jonas L. and Shaw, Adam and Conway, Patrick L. J. and Pribram-Jones, Aurora and Laws, Kevin J. and Bassman, Lori (2021) Predicting ductility in quaternary B2-like alloys. Physical Review Materials, 5 (3). Art. No. 033604. ISSN 2475-9953.

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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.

Item Type:Article
Related URLs:
URLURL TypeDescription
Hwang, Emily0000-0002-9541-5887
Cuddy, Emma0000-0001-6153-8507
Kaufman, Jonas L.0000-0002-0814-9462
Shaw, Adam0000-0002-8059-5950
Laws, Kevin J.0000-0002-1402-0921
Bassman, Lori0000-0002-9351-1154
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.
Funding AgencyGrant Number
Harvey Mudd CollegeUNSPECIFIED
Rose Hills FoundationUNSPECIFIED
Department of Energy (DOE)DE-FG02-97ER25308
Department of Energy (DOE)DE-SC0019053
Issue or Number:3
Record Number:CaltechAUTHORS:20210312-133700745
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:108415
Deposited By: Tony Diaz
Deposited On:12 Mar 2021 21:50
Last Modified:12 Mar 2021 21:50

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