journal article·2023-01

Short-range ordering heredity in eutectic high entropy alloys: A new model based on pseudo-ternary eutectics

Kewu Bai, Chee Koon Ng, Ming Lin, Fengxia Wei, Shuang Li, Siew Lang Teo, Dennis Cheng Cheh Tan, Pei Wang, Delvin Wuu, Jing Jun Lee, Yong-Wei Zhang

Acta Materialia· Volume 243
Publisher page

Abstract

Eutectic high entropy alloys (EHEAs) have garnered wide attention in the metal community due to their excellent castability and unique microstructures. However, the formation mechanisms of these eutectic microstructures and their compositional design remain puzzling. In this paper, we have developed a simple yet unified pseudo-ternary model to unravel the puzzle of multiple eutectics in Ni-Al-containing high entropy alloys (HEAs) deploying a combination of the chemical similarity/dissimilarity coefficient concept, CALPHAD technique and first principle molecular dynamics simulation. Using the chemical similarity/dissimilarity parameters derived from CALPHAD model parameters and the eutectic valleys of Ni-Al-Cr, we reproduce the multiple eutectic patterns in the Ni-Al-containing HEAs and present a general approach for pinpointing the composition of eutectic HEA (EHEA) in the vast temperature-composition space. Aided by the first principle molecular dynamics calculation, we have shown that although the eutectic structures of Ni-Al containing EHEAs are different, the formation mechanism of the eutectic structure is similar, which stems from the short-range-ordering (SRO) heredity of EHEA liquid from the eutectic valleys of the pseudo Ni-Al-Cr ternary. Two EHEAs, EHEA 1 (Al 16.95Cr 16.95Fe 19.1Ni 47) with L1 2+B2 eutectic structures and EHEA 2 (Al 33.5Cr 33Co 4Ni 29.5) with BCC+B2 eutectic structures were designed using the model and experimentally verified. This unified Ni-Al-Cr ternary model, validated by experimental data in both literature and our fabricated EHEAs, presents a compelling solution to the long-debated grouping strategy in EHEA design and offers a new paradigm to map the complicated but intriguing eutectic microstructures in EHEAs and conventional alloys.
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Research context

OpenAlex topics: High Entropy Alloys Studies · High-Temperature Coating Behaviors

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (75)

Show source-provided references
1. A promising new class of high-temperature alloys: eutectic high-entropy alloys10.1038/srep06200 ↗
2. A novel Fe20Co20 Ni41Al19 eutectic high entropy alloy with excellent tensile properties10.1016/j.matlet.2018.01.017 ↗
3. High-temperature high-entropy alloys AlxCo15Cr15Ni70-x based on the Al-Ni binary system10.1016/j.msea.2018.03.058 ↗
4. Design of NiCoCrAl eutectic high entropy alloys by combining machine learning with CALPHAD method
5. Design of eutectic high entropy alloys in Al–Co–Cr–Fe–Ni system10.1007/s12540-020-00655-3 ↗
6. A new pseudo binary strategy to design eutectic high entropy alloys using mixing enthalpy and valence electron concentration10.1016/j.matdes.2018.01.057 ↗
7. Designing novel AlCoCrNi eutectic high entropy alloys10.1016/j.jallcom.2022.163775 ↗
8. Tensile deformation behavior and mechanical properties of a bulk cast Al0.9CoFeNi2 eutectic high-entropy alloy10.1016/j.jmst.2020.05.053 ↗
9. A precipitate-free AlCoFeNi eutectic high-entropy alloy with strong strain hardening10.1016/j.jmst.2021.03.005 ↗
10. Uncovering the eutectics design by machine learning in the Al–Co–Cr–Fe–Ni high entropy system10.1016/j.actamat.2019.10.043 ↗
11. Accelerated design eutectic-high-entropy-alloys using simple empirical rules10.1016/j.matlet.2021.131340 ↗
12. New eutectic high-entropy alloys based on Co–Cr–Fe–Mo–Ni–Al: design, characterization and mechanical properties10.1007/s12540-019-00515-9 ↗
13. Design of a new cobalt base nano-lamellar eutectic high entropy alloy10.1016/j.scriptamat.2021.113993 ↗
14. A new CrFeNi2Al eutectic high entropy alloy system with excellent mechanical properties10.1016/j.jallcom.2018.08.176 ↗
15. Microstructure evolution and room temperature fracture toughness of as-cast and directionally solidified novel NiAl-Cr(Fe) alloy10.1016/j.intermet.2016.12.021 ↗
16. Effects of aluminum on microstructure and compressive properties of Al-Cr-Fe-Ni eutectic multi-component alloys10.1016/j.msea.2016.11.019 ↗
17. Microstructure and mechanical property of novel NiAl-based hypoeutectic/eutectic/hypereutectic high-entropy alloy10.1016/j.intermet.2022.107476 ↗
18. Peng · 2016 · 109
19. Microstructures and compressive properties of NiAl-Cr(Mo) and NiAl-Cr eutectic alloys with different Fe contents10.1016/j.msea.2018.12.085 ↗
20. Evidence for a phase transition in an AlCrFe2Ni2 high entropy alloy processed by high-pressure torsion10.1016/j.jallcom.2021.159063 ↗
21. Five decades of research on the development of eutectic as engineering materials10.1016/j.pmatsci.2021.100793 ↗
22. Promising properties and future trend of eutectic high entropy alloys10.1016/j.scriptamat.2020.06.022 ↗
23. Modelling of microstructure formation in solidification processes10.1179/imr.1989.34.1.93 ↗
24. Modelling of solidification microstructures
25. Growth of composites from the melt - Part II
26. The composition of interdendritic eutectic10.1007/BF02645601 ↗
27. Under what conditions can a glass be formed?10.1080/00107516908204405 ↗
28. Erratum: solving the puzzle of eutectic compositions with 'Miracle glasses
29. Alloy compositions of metallic glasses and eutectics from an idealized structural model10.1016/j.actamat.2008.04.002 ↗
30. The efficient cluster packing model – an atomic structural model for metallic glasses10.1016/j.actamat.2006.06.002 ↗
31. A structural model for metallic glasses10.1038/nmat1219 ↗
32. Solving the puzzle of eutectic compositions with 'Miracle glasses10.1038/nmat1289 ↗
33. CALPHAD aided eutectic high-entropy alloy design10.1016/j.matlet.2019.127175 ↗
34. Design of a seven-component eutectic high-entropy alloy10.1007/s11661-019-05210-3 ↗
35. Database development and Calphad calculations for high entropy alloys: challenges, strategies, and tips10.1016/j.matchemphys.2017.07.082 ↗
36. Microstructure and mechanical properties of AlCoxCrFeNi3-x eutectic high-entropy-alloy system10.1016/j.jallcom.2020.153886 ↗
37. Grouping strategy in eutectic multi-principal-component alloys10.1016/j.matchemphys.2018.09.044 ↗
38. A new strategy to design eutectic high-entropy alloys using simple mixture method10.1016/j.matdes.2018.01.025 ↗
39. Grouping strategy via d-orbit energy level to design eutectic high-entropy alloys10.1063/5.0061641 ↗
40. Exploring the design of eutectic or near-eutectic multicomponent alloys: from binary to high entropy alloys10.1007/s11431-017-9051-6 ↗
41. A new strategy to design eutectic high-entropy alloys using mixing enthalpy10.1016/j.intermet.2017.09.001 ↗
42. A new infinite solid solution strategy to design eutectic high entropy alloys with B2 and BCC structure10.1016/j.scriptamat.2021.113886 ↗
43. A new method to design eutectic high-entropy alloys by determining the formation of single-phase solid solution and calculating solidification paths10.1016/j.msea.2021.142325 ↗
44. Microstructure and mechanical properties of BCC-FCC eutectics in ternary, quaternary and quinary alloys from the Al-Co-Cr-Fe-Ni system10.3389/fmats.2020.567793 ↗
45. Ordering in liquid and its heredity impact on phase transformation of Mg-Al-Ca alloys
46. Liquid structure as a guide for phase stability in the solid state: discovery of a stable compound in the Au–Si alloy system10.1016/j.actamat.2009.09.023 ↗
47. Crystallization kinetics and physical properties of Al-3Fe-3Ni alloy due to the order of the introduction of the alloying elements
48. Binary eutectic clusters and glass formation in ideal glass-forming liquids10.1063/1.2336597 ↗
49. Evidence-based recommender system for high-entropy alloys10.1038/s43588-021-00097-w ↗
50. An ab initio molecular dynamics exploration of associates in Ba-Bi liquid with strong ordering trends10.1016/j.actamat.2020.03.024 ↗
51. Calculation of liquidus temperature for aluminum and magnesium alloys applying method of equivalency10.1155/2013/170527 ↗
52. Y.M. Muggianu, M. Gambino, J.P. Bross, Enthalpies deformation des alliages liquids bismuth-etain-gallium a 723K, 1975.
53. Estimation of the thermodynamic data for a ternary system from the corresponding binary systems10.1007/BF00899814 ↗
54. Predicting ternary activities using binary data
55. New insights into ternary geometrical models for material design10.1016/j.matdes.2020.108778 ↗
56. New generation solution geometrical model and its further development
57. Partial Gibbs energies from Redlich-Kister polynomials10.1016/0040-6031(88)87198-3 ↗
58. Thermo-Calc & DICTRA, computational tools for materials science10.1016/S0364-5916(02)00037-8 ↗
59. Deviation from high-entropy configurations in the atomic distributions of a multi-principal-element alloy10.1038/ncomms6964 ↗
60. Insights into the fivefold symmetry of the amorphous Sb-based change materials in the rapid phase change from first principles10.1016/j.actamat.2019.09.025 ↗
61. A promising new class of high-temperature alloys: eutectic high-entropy alloys10.1038/srep06200 ↗
62. Formation mechanism of eutectic microstructures in NiAl-Cr composites10.1039/C6CP01921H ↗
63. A review: constitution of the Al-Cr-Ni system10.1016/0025-5416(84)90140-X ↗
64. Thermodynamic re-assessment of the ternary system Al-Cr-Ni10.1016/S0364-5916(01)00049-9 ↗
65. Thermodynamic properties of the Ni–Al–Cr system10.1016/S0966-9795(98)00138-1 ↗
66. A review: constitution of the AlCrNi system10.1016/0025-5416(84)90140-X ↗
67. The constitution of nickel-rich alloys of the Nickel-Chromium-. Aluminium system
68. A multi-component AlCrFe2Ni2 alloy with excellent mechanical properties10.1016/j.matlet.2016.01.096 ↗
69. Microstructural origins of high strength and high ductility in an AlCoCrFeNi2.1 eutectic high-entropy alloy10.1016/j.actamat.2017.07.041 ↗
70. Processing and mechanical properties of in-situ composites from the NiAlCr and the NiAl(Cr,Mo) eutectic systems10.1016/0966-9795(95)92674-O ↗
71. Thermodynamic modelling to predict phase stability in BCC + B2 Al–Ti–Co–Ni–Fe–Cr high entropy alloys10.1016/j.matchemphys.2021.125395 ↗
72. Porter · 2009
73. Quench enhanced ordering of Fe Ni310.1016/0022-3697(70)90277-5 ↗
74. Ring statistics analysis of topological networks: new approach and application to amorphous GeS2 and SiO2 systems10.1016/j.commatsci.2010.04.023 ↗
75. Gibbs · 1876 · 108