Gallagher, Brian; Elder, Kate L. M.; Chen, Xuxi; Chen, Tianlong; Olivares, Everardo, Y.; McCall, Scott K.; Perron, Aurelien P. P.; McKeown, Joseph, T.; Kailkhura, Bhavya; Wang, Zhangyang (2023). X-Yield: A Multi-Fidelity Yield Strength Dataset for Refractory High Entropy Alloys. In Lawrence Livermore National Laboratory (LLNL) Open Data Initiative. UC San Diego Library Digital Collections. https://doi.org/10.6075/J0B858B0

The created data is a yield strength prediction for all ternary-septenary alloys from the Al-Cr-Fe-Hf-Mo-Nb-Ta-Ti-V-W-Zr element family. The yield strength was predicted in 1% composition increments for ternary and quaternary alloys and in 5% increments for quinary, senary, and septenary alloys. Each prediction was done at temperatures between 300 - 2500 K in 100 K increments. This data was generated with an in-house code based on the yield strength prediction model introduced by Maresca and Curtin (https://doi.org/10.1016/j.actamat.2019.10.015).

The collected data contains 334 experimental yield strength measurements from the public open-source database, Citrine MPEA database (https://citrination.com/datasets/190954/show_search?searchMatchOption=fuzzyMatch), which is described in this publication (https://doi.org/10.1038/s41597-020-00768-9). All data consisting of a yield strength measurement that was taken at or above room temperature from an alloy in the 11 element family that has a body centered cubic (BCC) structure was extracted. For each extracted experimental point, a simulated prediction was generated for comparison using the referenced model.

• 2021-11-23

• 2021-12-19 to 2022-04-25

• 2023

• Gallagher, Brian

• Elder, Kate L. M.

• Chen, Tianlong
• Chen, Xuxi
• Kailkhura, Bhavya
• McCall, Scott K.
• McKeown, Joseph, T.
• Olivares, Everardo, Y.
• Perron, Aurelien P. P.
• Wang, Zhangyang

This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and was supported by the Laboratory Directed Research and Development (LDRD) program under project tracking code 22-SI-007.

• Alloy design
• High entropy alloys
• Mechanical properties
• Yield strength

• data

• English

Identifier: Aurelien P. P. Perron: https://orcid.org/0000-0002-5280-003X

Identifier: Bhavya Kailkhura: https://orcid.org/0000-0002-2819-2919

Identifier: Brian Gallagher: https://orcid.org/0000-0002-3262-6652

Identifier: Everardo Y. Olivares: https://orcid.org/0009-0004-4693-5810

Identifier: Joseph T. McKeown: https://orcid.org/0000-0002-8921-4798

Identifier: Kate L. M. Elder: https://orcid.org/0000-0001-7922-9913

Identifier: Scott K. McCall: https://orcid.org/0000-0002-7979-4944

Identifier: Tianlong Chen: https://orcid.org/0000-0001-7774-8197

Identifier: Xuxi Chen: https://orcid.org/0000-0001-5451-2704

Identifier: Zhangyang Wang: https://orcid.org/0000-0002-2050-5693

Source data

• Experimental yield strength measurement data from Citrine MPEA database: https://citrination.com/datasets/190954/show_search?searchMatchOption=fuzzyMatch

Described by

• Borg, C.K.H., Frey, C., Moh, J. et al. Expanded dataset of mechanical properties and observed phases of multi-principal element alloys. Sci Data 7, 430 (2020). https://doi.org/10.1038/s41597-020-00768-9

Reference

• Francesco Maresca, William A. Curtin. Mechanistic origin of high strength in refractory BCC high entropy alloys up to 1900K. Acta Materialia, Volume 182, 2020, Pages 235-249, ISSN 1359-6454. https://doi.org/10.1016/j.actamat.2019.10.015

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• Lawrence Livermore National Laboratory

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2023-04-13