Revisit the VEC rule in high entropy alloys (HEAs) with high-throughput CALPHAD approach and its applications for material design-A case study with Al–Co–Cr–Fe–Ni system

Yang, Songge; Lu, Jun; Xing, Fangzhou; Zhang, Lijun; Zhong, Yu

doi:10.1016/j.actamat.2020.03.039

Revisit the VEC rule in high entropy alloys (HEAs) with high-throughput CALPHAD approach and its applications for material design-A case study with Al–Co–Cr–Fe–Ni system

Journal Article · Sat Apr 11 00:00:00 EDT 2020 · Acta Materialia

DOI:https://doi.org/10.1016/j.actamat.2020.03.039· OSTI ID:1669890

^[1]; Lu, Jun ^[2]; Xing, Fangzhou ^[3]; Zhang, Lijun ^[4]; ^[2]

Worcester Polytechnic Institute, MA (United States); Worcester Polytechnic Institute
Worcester Polytechnic Institute, MA (United States)
Worcester Polytechnic Institute, MA (United States); Central South University, Hunan (China)
Central South University, Hunan (China)

Valence electron concentration (VEC) was treated as a useful parameter to predict solid solution phases, and the VEC rule was proposed for high entropy alloys (HEAs). However, this empirical rule has its limitations, which restricts its applications for phase predictions in HEAs. In this paper, we revisited the empirical VEC rule with the HT-CALPHAD approach in the Al–Co–Cr–Fe–Ni system. Our investigation showed that more than 90% compositions are observed to have BCC structures when 5.7≤VEC≤7.2 and we got 100% FCC structures when VEC≥8.4. Meanwhile, we proposed a data screening procedure to classify and discover the new HEAs. The concepts of average density (ρHEA), highest BCC/FCC temperatures ($$T$$ $$^{max}_{BCC/FCC}$$), and temperature ranges (ΔT_BCC/FCC) were introduced as useful data screening criteria to down-screen the candidate alloy compositions for specific engineering applications. In the current work, we have identified three HEA categories (refractory BCC HEAs, light-weight BCC HEA and refractory FCC HEAs) in the Al–Co–Cr–Fe–Ni system and proposed the best candidate in each group. Here, our investigation showed the HEA non-equiatomic composition space provides ample opportunities for the discovery of the next-generation HEAs.

View Accepted Manuscript (DOE)

Research Organization:: Florida International Univ. (FIU), Miami, FL (United States); Florida International University, Miami, FL (United States)

Sponsoring Organization:: USDOE; USDOE Office of Fossil Energy (FE)

Grant/Contract Number:: FE0030585

OSTI ID:: 1669890

Alternate ID(s):: OSTI ID: 1617246
OSTI ID: 1878435

Journal Information:: Acta Materialia, Journal Name: Acta Materialia Vol. 192; ISSN 1359-6454

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Revisit the VEC rule in high entropy alloys (HEAs) with high-throughput CALPHAD approach and its applications for material design-A case study with Al–Co–Cr–Fe–Ni system

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