Phase selection motifs in High Entropy Alloys revealed through combinatorial methods: Large atomic size difference favors BCC over FCC
Abstract
High Entropy Alloys are inherently complex and span a vast composition space, making their research and discovery challenging. Developing quantitative predictions of their phase selection requires a large quantity of consistently determined experimental data. Here, we use combinatorial methods to fabricate and characterize 2478 quinary alloys based on Al and transition metals. Phase selection can be predicted for considered alloys when combining the content of FCC/BCC elements and the constituents’ atomic size difference. Mining our data reveals that High Entropy Alloys with increasing atomic size difference prefer BCC structure over FCC. This preference is typically overshadowed by other selection motifs, which dominate during close-to-equilibrium processing. Not suggested by the Hume-Rothery rules, this preference originates from the ability of the BCC structure to accommodate a large atomic size difference with lower strain energy penalty which can be practically only realized in High Entropy Alloys.
- Authors:
- Publication Date:
- Research Org.:
- SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1492457
- Alternate Identifier(s):
- OSTI ID: 1505635
- Grant/Contract Number:
- AC02-76SF00515; 1609391
- Resource Type:
- Journal Article: Published Article
- Journal Name:
- Acta Materialia
- Additional Journal Information:
- Journal Name: Acta Materialia Journal Volume: 166 Journal Issue: C; Journal ID: ISSN 1359-6454
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; High entropy alloys; Combinatorial sputtering; Phase selection; Atomic size difference
Citation Formats
Kube, Sebastian Alexander, Sohn, Sungwoo, Uhl, David, Datye, Amit, Mehta, Apurva, and Schroers, Jan. Phase selection motifs in High Entropy Alloys revealed through combinatorial methods: Large atomic size difference favors BCC over FCC. United States: N. p., 2019.
Web. doi:10.1016/j.actamat.2019.01.023.
Kube, Sebastian Alexander, Sohn, Sungwoo, Uhl, David, Datye, Amit, Mehta, Apurva, & Schroers, Jan. Phase selection motifs in High Entropy Alloys revealed through combinatorial methods: Large atomic size difference favors BCC over FCC. United States. https://doi.org/10.1016/j.actamat.2019.01.023
Kube, Sebastian Alexander, Sohn, Sungwoo, Uhl, David, Datye, Amit, Mehta, Apurva, and Schroers, Jan. 2019.
"Phase selection motifs in High Entropy Alloys revealed through combinatorial methods: Large atomic size difference favors BCC over FCC". United States. https://doi.org/10.1016/j.actamat.2019.01.023.
@article{osti_1492457,
title = {Phase selection motifs in High Entropy Alloys revealed through combinatorial methods: Large atomic size difference favors BCC over FCC},
author = {Kube, Sebastian Alexander and Sohn, Sungwoo and Uhl, David and Datye, Amit and Mehta, Apurva and Schroers, Jan},
abstractNote = {High Entropy Alloys are inherently complex and span a vast composition space, making their research and discovery challenging. Developing quantitative predictions of their phase selection requires a large quantity of consistently determined experimental data. Here, we use combinatorial methods to fabricate and characterize 2478 quinary alloys based on Al and transition metals. Phase selection can be predicted for considered alloys when combining the content of FCC/BCC elements and the constituents’ atomic size difference. Mining our data reveals that High Entropy Alloys with increasing atomic size difference prefer BCC structure over FCC. This preference is typically overshadowed by other selection motifs, which dominate during close-to-equilibrium processing. Not suggested by the Hume-Rothery rules, this preference originates from the ability of the BCC structure to accommodate a large atomic size difference with lower strain energy penalty which can be practically only realized in High Entropy Alloys.},
doi = {10.1016/j.actamat.2019.01.023},
url = {https://www.osti.gov/biblio/1492457},
journal = {Acta Materialia},
issn = {1359-6454},
number = C,
volume = 166,
place = {United States},
year = {Fri Mar 01 00:00:00 EST 2019},
month = {Fri Mar 01 00:00:00 EST 2019}
}
Web of Science
Figures / Tables:
Works referencing / citing this record:
Critical Review of Chemical Complexity Effect on Local Structure of Multi-principal-Element Alloys
journal, August 2019
- Tong, Yang; Zhang, Fuxiang
- JOM, Vol. 71, Issue 10
Formation and stability of complex metallic phases including quasicrystals explored through combinatorial methods
journal, May 2019
- Wolf, Witor; Kube, Sebastian A.; Sohn, Sungwoo
- Scientific Reports, Vol. 9, Issue 1
Accelerated discovery and mechanical property characterization of bioresorbable amorphous alloys in the Mg–Zn–Ca and the Fe–Mg–Zn systems using high-throughput methods
journal, January 2019
- Datye, Amit; Alexander Kube, Sebastian; Verma, Devendra
- Journal of Materials Chemistry B, Vol. 7, Issue 35
Formation criterion for binary metal diboride solid solutions established through combinatorial methods
journal, January 2020
- Wen, Tongqi; Ye, Beilin; Liu, Honghua
- Journal of the American Ceramic Society, Vol. 103, Issue 5
Figures / Tables found in this record: