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Title: 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:
 [1];  [1];  [2];  [1];  [3];  [1]
  1. Yale Univ., New Haven, CT (United States)
  2. Southern Connecticut State Univ., New Haven, CT (United States)
  3. SLAC National Accelerator Lab., Menlo Park, CA (United States)
Publication Date:
Research Org.:
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1492457
Alternate Identifier(s):
OSTI ID: 1505635
Grant/Contract Number:  
1609391; AC02-76SF00515
Resource Type:
Journal Article: Published Article
Journal Name:
Acta Materialia
Additional Journal Information:
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. doi:10.1016/j.actamat.2019.01.023.
Kube, Sebastian Alexander, Sohn, Sungwoo, Uhl, David, Datye, Amit, Mehta, Apurva, and Schroers, Jan. Sat . "Phase selection motifs in High Entropy Alloys revealed through combinatorial methods: Large atomic size difference favors BCC over FCC". United States. doi: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},
journal = {Acta Materialia},
issn = {1359-6454},
number = C,
volume = 166,
place = {United States},
year = {2019},
month = {1}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1016/j.actamat.2019.01.023

Citation Metrics:
Cited by: 1 work
Citation information provided by
Web of Science

Figures / Tables:

Fig. 1 Fig. 1: (a) Experimental procedure: Combinatorial co-sputtering of quinary alloy libraries: Three sputtering sources are utilized. Two of the sputtering sources deposit each two elements simultaneously at a constant ratio. The compositional spread originates from the tetrahedral arrangement of the sputtering sources with respect to the substrate. Patches closer tomore » a particular source exhibit a higher concentration of the corresponding elements (e.g., high concentration of element E close to the red source). For experimental convenience, the film is deposited in circular patches on a square grid. For each patch, an EDX spectrum is measured, from which the composition is determined: The quinary composition range can be visualized as quasi-ternary in a Gibbs triangle, because the molar fraction ratio of two paired elements is approximately constant across a library. Finally, for each patch an X-ray diffractogram is measured using high-throughput synchrotron XRD. The use of a 2D detector mitigates the effects of texturing on the diffractograms. The 2D diffraction images are converted to 1D diffractograms for phase identification. By merging compositional with structural data, composition-structure phase diagrams are obtained. (b) Overview over the considered alloy systems: The Al-group (red) and the Mn group (blue) contain all possible quinary combinations of the element pools AlCrFeCoNiCu and CrMnFeCoNiCu, respectively. Libraries belonging to a system are denoted by an ID-number. For some systems, two different libraries were fabricated to map different compositional subsections. (For interpretation of the references to color in this figure legend, the reader is referred to the Web version of this article.)« less

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Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.