Design of refractory high-entropy alloys

Gao, M. C.; Carney, C. S.; Dogan, O. N.; Jablonksi, P. D.; Hawk, J. A.; Alman, D. E.

doi:10.1007/s11837-015-1617-z

Design of refractory high-entropy alloys

Journal Article · Tue Sep 15 00:00:00 EDT 2015 · JOM. Journal of the Minerals, Metals & Materials Society

DOI:https://doi.org/10.1007/s11837-015-1617-z· OSTI ID:1258464

Gao, M. C. ^[1]; Carney, C. S. ^[1]; Dogan, O. N. ^[2]; Jablonksi, P. D. ^[2]; Hawk, J. A. ^[2]; Alman, D. E. ^[2]

National Energy Technology Lab. (NETL), Albany, OR (United States); AECOM, Albany, OR (United States)
National Energy Technology Lab. (NETL), Albany, OR (United States)

Here, this report presents a design methodology for refractory high-entropy alloys with a body-centered cubic (bcc) structure using select empirical parameters (i.e., enthalpy of mixing, atomic size difference, Ω-parameter, and electronegativity difference) and CALPHAD approach. Sixteen alloys in equimolar compositions ranging from quinary to ennead systems were designed with experimental verification studies performed on two alloys using x-ray diffraction, energy-dispersive spectroscopy, and scanning electron microscopy. Two bcc phases were identified in the as-cast HfMoNbTaTiVZr, whereas multiple phases formed in the as-cast HfMoNbTaTiVWZr. Observed elemental segregation in the alloys qualitatively agrees with CALPHAD prediction. Comparisons of the thermodynamic mixing properties for liquid and bcc phases using the Miedema model and CALPHAD are presented. This study demonstrates that CALPHAD is more effective in predicting HEA formation than empirical parameters, and new single bcc HEAs are suggested: HfMoNbTiZr, HfMoTaTiZr, NbTaTiVZr, HfMoNbTaTiZr, HfMoTaTiVZr, and MoNbTaTiVZr.

View Accepted Manuscript (DOE)

Research Organization:: National Energy Technology Laboratory (NETL), Pittsburgh, PA, and Morgantown, WV (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: FE0004000

OSTI ID:: 1258464

Journal Information:: JOM. Journal of the Minerals, Metals & Materials Society, Journal Name: JOM. Journal of the Minerals, Metals & Materials Society Journal Issue: 11 Vol. 67; ISSN 1047-4838

Publisher:: SpringerCopyright Statement

Country of Publication:: United States

Language:: English

References (25)

Nanostructured High-Entropy Alloys with Multiple Principal Elements: Novel Alloy Design Concepts and Outcomes Yeh, J.-W.; Chen, S.-K.; Lin, S.-J. Advanced Engineering Materials, Vol. 6, Issue 5, p. 299-303 https://doi.org/10.1002/adem.200300567	journal	May 2004
Solid-Solution Phase Formation Rules for Multi-component Alloys Zhang, Y.; Zhou, Y. J.; Lin, J. P. Advanced Engineering Materials, Vol. 10, Issue 6, p. 534-538 https://doi.org/10.1002/adem.200700240	journal	June 2008
High-Entropy Alloys in Hexagonal Close-Packed Structure Gao, M. C.; Zhang, B.; Guo, S. M. Metallurgical and Materials Transactions A, Vol. 47, Issue 7 https://doi.org/10.1007/s11661-015-3091-1	journal	August 2015
Senary Refractory High-Entropy Alloy HfNbTaTiVZr Gao, M. C.; Zhang, B.; Yang, S. Metallurgical and Materials Transactions A, Vol. 47, Issue 7 https://doi.org/10.1007/s11661-015-3105-z	journal	September 2015
Computational Thermodynamics Aided High-Entropy Alloy Design Zhang, Chuan; Zhang, Fan; Chen, Shuanglin JOM, Vol. 64, Issue 7 https://doi.org/10.1007/s11837-012-0365-6	journal	June 2012
Alloy Design and Properties Optimization of High-Entropy Alloys Zhang, Y.; Yang, X.; Liaw, P. K. JOM, Vol. 64, Issue 7 https://doi.org/10.1007/s11837-012-0366-5	journal	July 2012
Alloy Design Strategies and Future Trends in High-Entropy Alloys Yeh, Jien-Wei JOM, Vol. 65, Issue 12 https://doi.org/10.1007/s11837-013-0761-6	journal	October 2013
Model predictions for the enthalpy of formation of transition metal alloys Miedema, A. R.; de Boer, F. R.; Boom, R. Calphad, Vol. 1, Issue 4 https://doi.org/10.1016/0364-5916(77)90011-6	journal	January 1977
The Thermo-Calc databank system Sundman, Bo; Jansson, Bo; Andersson, Jan-Olof Calphad, Vol. 9, Issue 2 https://doi.org/10.1016/0364-5916(85)90021-5	journal	April 1985
Relationship between the widths of supercooled liquid regions and bond parameters of Mg-based bulk metallic glasses Fang, Shoushi; Xiao, Xueshan; Xia, Lei Journal of Non-Crystalline Solids, Vol. 321, Issue 1-2 https://doi.org/10.1016/S0022-3093(03)00155-8	journal	June 2003
Relative effects of enthalpy and entropy on the phase stability of equiatomic high-entropy alloys Otto, F.; Yang, Y.; Bei, H. Acta Materialia, Vol. 61, Issue 7 https://doi.org/10.1016/j.actamat.2013.01.042	journal	April 2013
Electronic and thermodynamic criteria for the occurrence of high entropy alloys in metallic systems Poletti, M. G.; Battezzati, L. Acta Materialia, Vol. 75 https://doi.org/10.1016/j.actamat.2014.04.033	journal	August 2014
An understanding of high entropy alloys from phase diagram calculations Zhang, F.; Zhang, C.; Chen, S. L. Calphad, Vol. 45 https://doi.org/10.1016/j.calphad.2013.10.006	journal	June 2014
Refractory high-entropy alloys Senkov, O. N.; Wilks, G. B.; Miracle, D. B. Intermetallics, Vol. 18, Issue 9 https://doi.org/10.1016/j.intermet.2010.05.014	journal	September 2010
Microstructure and room temperature properties of a high-entropy TaNbHfZrTi alloy Senkov, O. N.; Scott, J. M.; Senkova, S. V. Journal of Alloys and Compounds, Vol. 509, Issue 20 https://doi.org/10.1016/j.jallcom.2011.02.171	journal	May 2011
Microstructural development in equiatomic multicomponent alloys Cantor, B.; Chang, I. T. H.; Knight, P. Materials Science and Engineering: A, Vol. 375-377 https://doi.org/10.1016/j.msea.2003.10.257	journal	July 2004
Microstructures and properties of high-entropy alloys Zhang, Yong; Zuo, Ting Ting; Tang, Zhi Progress in Materials Science, Vol. 61 https://doi.org/10.1016/j.pmatsci.2013.10.001	journal	April 2014
Deviation from high-entropy configurations in the atomic distributions of a multi-principal-element alloy Santodonato, Louis J.; Zhang, Yang; Feygenson, Mikhail Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms6964	journal	January 2015
Accelerated exploration of multi-principal element alloys with solid solution phases Senkov, O. N.; Miller, J. D.; Miracle, D. B. Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms7529	journal	March 2015
Effect of valence electron concentration on stability of fcc or bcc phase in high entropy alloys Guo, Sheng; Ng, Chun; Lu, Jian Journal of Applied Physics, Vol. 109, Issue 10 https://doi.org/10.1063/1.3587228	journal	May 2011
Senary refractory high entropy alloy MoNbTaTiVW Zhang, B.; Gao, M. C.; Zhang, Y. Materials Science and Technology, Vol. 31, Issue 10 https://doi.org/10.1179/1743284715Y.0000000031	journal	March 2015
Guidelines in predicting phase formation of high-entropy alloys Zhang, Y.; Lu, Z. P.; Ma, S. G. MRS Communications, Vol. 4, Issue 2 https://doi.org/10.1557/mrc.2014.11	journal	April 2014
Classification of Bulk Metallic Glasses by Atomic Size Difference, Heat of Mixing and Period of Constituent Elements and Its Application to Characterization of the Main Alloying Element Takeuchi, Akira; Inoue, Akihisa MATERIALS TRANSACTIONS, Vol. 46, Issue 12 https://doi.org/10.2320/matertrans.46.2817	journal	January 2005
Searching for Next Single-Phase High-Entropy Alloy Compositions Gao, Michael; Alman, David Entropy, Vol. 15, Issue 12 https://doi.org/10.3390/e15104504	journal	October 2013
Exploration and Development of High Entropy Alloys for Structural Applications Miracle, Daniel; Miller, Jonathan; Senkov, Oleg Entropy, Vol. 16, Issue 1 https://doi.org/10.3390/e16010494	journal	January 2014

Cited By (14)

Strong and Ductile Non-equiatomic High-Entropy Alloys: Design, Processing, Microstructure, and Mechanical Properties Li, Zhiming; Raabe, Dierk JOM, Vol. 69, Issue 11 https://doi.org/10.1007/s11837-017-2540-2	journal	August 2017
Giant Enhancement of Exchange Coupling in Entropy-Stabilized Oxide Heterostructures Meisenheimer, P. B.; Kratofil, T. J.; Heron, J. T. Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/s41598-017-13810-5	journal	October 2017
Influence of Cr Substitution and Temperature on Hierarchical Phase Decomposition in the AlCoFeNi High Entropy Alloy Chaudhary, V.; Gwalani, B.; Soni, V. Scientific Reports, Vol. 8, Issue 1 https://doi.org/10.1038/s41598-018-33922-w	journal	October 2018
The Effects of Mo and Nb on the Microstructures and Properties of CrFeCoNi(Nb,Mo) Alloys Tsau, Chun-Huei; Tsai, Meng-Chi Entropy, Vol. 20, Issue 9 https://doi.org/10.3390/e20090648	journal	August 2018
Novel Ultralight-Weight Complex Concentrated Alloys with High Strength Jia, Yuefei; Jia, Yandong; Wu, Shiwei Materials, Vol. 12, Issue 7 https://doi.org/10.3390/ma12071136	journal	April 2019
High-Entropy Metal Diborides: A New Class of High-Entropy Materials and a New Type of Ultrahigh Temperature Ceramics Gild, Joshua; Zhang, Yuanyao; Harrington, Tyler Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep37946	journal	November 2016
High-entropy alloys: a critical assessment of their founding principles and future prospects Pickering, E. J.; Jones, N. G. International Materials Reviews, Vol. 61, Issue 3 https://doi.org/10.1080/09506608.2016.1180020	journal	April 2016
Computational modeling of high-entropy alloys: Structures, thermodynamics and elasticity Gao, Michael C.; Gao, Pan; Hawk, Jeffrey A. Journal of Materials Research, Vol. 32, Issue 19 https://doi.org/10.1557/jmr.2017.366	journal	October 2017
Current and emerging practices of CALPHAD toward the development of high entropy alloys and complex concentrated alloys Gorsse, Stéphane; Tancret, Franck Journal of Materials Research, Vol. 33, Issue 19 https://doi.org/10.1557/jmr.2018.152	journal	June 2018
Development and exploration of refractory high entropy alloys—A review Senkov, Oleg N.; Miracle, Daniel B.; Chaput, Kevin J. Journal of Materials Research, Vol. 33, Issue 19 https://doi.org/10.1557/jmr.2018.153	journal	June 2018
Modeling the structure and thermodynamics of high-entropy alloys Widom, Michael Journal of Materials Research, Vol. 33, Issue 19 https://doi.org/10.1557/jmr.2018.222	journal	July 2018
MoNbTaV Medium-Entropy Alloy Yao, Hongwei; Qiao, Jun-Wei; Gao, Michael Entropy, Vol. 18, Issue 5 https://doi.org/10.3390/e18050189	journal	May 2016
Design of Light-Weight High-Entropy Alloys Feng, Rui; Gao, Michael; Lee, Chanho Entropy, Vol. 18, Issue 9 https://doi.org/10.3390/e18090333	journal	September 2016
Solidification Microstructures of the Ingots Obtained by Arc Melting and Cold Crucible Levitation Melting in TiNbTaZr Medium-Entropy Alloy and TiNbTaZrX (X = V, Mo, W) High-Entropy Alloys Nagase, Takeshi; Mizuuchi, Kiyoshi; Nakano, Takayoshi Entropy, Vol. 21, Issue 5 https://doi.org/10.3390/e21050483	journal	May 2019

Similar Records

Senary refractory high-entropy alloy Cr_xMoNbTaVW

Journal Article · Tue Nov 10 19:00:00 EST 2015 · Calphad · OSTI ID:1482329

Lattice distortion in a strong and ductile refractory high-entropy alloy

Journal Article · Wed Aug 29 20:00:00 EDT 2018 · Acta Materialia · OSTI ID:1483190

Computational modeling of high-entropy alloys: Structures, thermodynamics and elasticity

Journal Article · Wed Oct 11 20:00:00 EDT 2017 · Journal of Materials Research · OSTI ID:1439970

Related Subjects

36 MATERIALS SCIENCE
BCC structure
CALPHAD
high-entropy alloys
phase diagram
refractory metals
thermodynamics

Design of refractory high-entropy alloys

Citation Formats

References (25)

Cited By (14)

Similar Records

Related Subjects