Unexpected spinodal decomposition in as-cast eutectic high entropy alloy Al30Co10Cr30Fe15Ni15
By integrating calculation of phase diagram (CALPHAD) simulations, ab initio molecular dynamics (AIMD) and experimental validation, we shed light on the unexpected spinodal decomposition in as-cast Al30Co10Cr30Fe15Ni15 alloy, as opposed to the eutectic BCC/B2 microstructure predicted by CALPHAD. We...
| Main Authors: | , , , , , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2023-12-01
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| Series: | Materials & Design |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S0264127523009243 |
| _version_ | 1797391916735660032 |
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| author | Kewu Bai Chee Koon Ng Ming Lin Baisong Cheng Yingzhi Zeng Delvin Wuu Jing Jun Lee Siew Lang Teo Si Rong Ng Dennis Cheng Cheh Tan Pei Wang Zachary Aitken Yong-Wei Zhang |
| author_facet | Kewu Bai Chee Koon Ng Ming Lin Baisong Cheng Yingzhi Zeng Delvin Wuu Jing Jun Lee Siew Lang Teo Si Rong Ng Dennis Cheng Cheh Tan Pei Wang Zachary Aitken Yong-Wei Zhang |
| author_sort | Kewu Bai |
| collection | DOAJ |
| description | By integrating calculation of phase diagram (CALPHAD) simulations, ab initio molecular dynamics (AIMD) and experimental validation, we shed light on the unexpected spinodal decomposition in as-cast Al30Co10Cr30Fe15Ni15 alloy, as opposed to the eutectic BCC/B2 microstructure predicted by CALPHAD. We showed that the eutectic high entropy alloy (EHEA) and spinodal decomposition (SD) may be correlated with each other. A shift from as-cast EHEA to SD can be triggered by the strong short-range ordering in the EHEA liquid phase and high configuration entropy of the metastable phase. CALPHAD showed that the low eutectic temperature of Al30Co10Cr30Fe15Ni15 alloy is stabilized by the short-range and topological ordering (SRO), rendering a small undercooling ΔT for partitionless solidification of the metastable B2 phase. AIMD calculations showed that the particular metastable-like liquid preordering might reduce interface energy between the eutectic liquid and saturated B2, facilitating metastable saturated phase formation even with a small undercooling and suppressing the eutectic reaction. The single B2 phase might have solidified in the spinodal region of the phase diagram resulting in a shift from as-cast EHEA to SD. The interplay between SD and EHEAs presents an alternative route to explore spinodal HEAs by simple as-casted samples without lengthy heat treatments for homogenization. |
| first_indexed | 2024-03-08T23:39:39Z |
| format | Article |
| id | doaj.art-676ccf51c0604fe79caa81ee305f9da4 |
| institution | Directory Open Access Journal |
| issn | 0264-1275 |
| language | English |
| last_indexed | 2024-03-08T23:39:39Z |
| publishDate | 2023-12-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Materials & Design |
| spelling | doaj.art-676ccf51c0604fe79caa81ee305f9da42023-12-14T05:20:30ZengElsevierMaterials & Design0264-12752023-12-01236112508Unexpected spinodal decomposition in as-cast eutectic high entropy alloy Al30Co10Cr30Fe15Ni15Kewu Bai0Chee Koon Ng1Ming Lin2Baisong Cheng3Yingzhi Zeng4Delvin Wuu5Jing Jun Lee6Siew Lang Teo7Si Rong Ng8Dennis Cheng Cheh Tan9Pei Wang10Zachary Aitken11Yong-Wei Zhang12Institute of High Performance Computing, Agency for Science, Technology and Research (A*STAR), Fusionopolis Way, #16-16 Connexis, Singapore 138632, Singapore; Corresponding authors.Institute of Materials Research and Engineering, Agency for Science Technology and Research (A*STAR), Fusionopolis Way, #08-03 Innovis, Singapore 138634, Singapore; Corresponding authors.Institute of Materials Research and Engineering, Agency for Science Technology and Research (A*STAR), Fusionopolis Way, #08-03 Innovis, Singapore 138634, SingaporeInstitute of Materials Research and Engineering, Agency for Science Technology and Research (A*STAR), Fusionopolis Way, #08-03 Innovis, Singapore 138634, SingaporeInstitute of High Performance Computing, Agency for Science, Technology and Research (A*STAR), Fusionopolis Way, #16-16 Connexis, Singapore 138632, SingaporeInstitute of Materials Research and Engineering, Agency for Science Technology and Research (A*STAR), Fusionopolis Way, #08-03 Innovis, Singapore 138634, SingaporeInstitute of Materials Research and Engineering, Agency for Science Technology and Research (A*STAR), Fusionopolis Way, #08-03 Innovis, Singapore 138634, SingaporeInstitute of Materials Research and Engineering, Agency for Science Technology and Research (A*STAR), Fusionopolis Way, #08-03 Innovis, Singapore 138634, SingaporeInstitute of Materials Research and Engineering, Agency for Science Technology and Research (A*STAR), Fusionopolis Way, #08-03 Innovis, Singapore 138634, SingaporeInstitute of Materials Research and Engineering, Agency for Science Technology and Research (A*STAR), Fusionopolis Way, #08-03 Innovis, Singapore 138634, SingaporeInstitute of Materials Research and Engineering, Agency for Science Technology and Research (A*STAR), Fusionopolis Way, #08-03 Innovis, Singapore 138634, SingaporeInstitute of High Performance Computing, Agency for Science, Technology and Research (A*STAR), Fusionopolis Way, #16-16 Connexis, Singapore 138632, SingaporeInstitute of High Performance Computing, Agency for Science, Technology and Research (A*STAR), Fusionopolis Way, #16-16 Connexis, Singapore 138632, SingaporeBy integrating calculation of phase diagram (CALPHAD) simulations, ab initio molecular dynamics (AIMD) and experimental validation, we shed light on the unexpected spinodal decomposition in as-cast Al30Co10Cr30Fe15Ni15 alloy, as opposed to the eutectic BCC/B2 microstructure predicted by CALPHAD. We showed that the eutectic high entropy alloy (EHEA) and spinodal decomposition (SD) may be correlated with each other. A shift from as-cast EHEA to SD can be triggered by the strong short-range ordering in the EHEA liquid phase and high configuration entropy of the metastable phase. CALPHAD showed that the low eutectic temperature of Al30Co10Cr30Fe15Ni15 alloy is stabilized by the short-range and topological ordering (SRO), rendering a small undercooling ΔT for partitionless solidification of the metastable B2 phase. AIMD calculations showed that the particular metastable-like liquid preordering might reduce interface energy between the eutectic liquid and saturated B2, facilitating metastable saturated phase formation even with a small undercooling and suppressing the eutectic reaction. The single B2 phase might have solidified in the spinodal region of the phase diagram resulting in a shift from as-cast EHEA to SD. The interplay between SD and EHEAs presents an alternative route to explore spinodal HEAs by simple as-casted samples without lengthy heat treatments for homogenization.http://www.sciencedirect.com/science/article/pii/S0264127523009243Spinodal decompositionHigh entropy alloysCALPHADFirst principles calculationEutectics |
| spellingShingle | Kewu Bai Chee Koon Ng Ming Lin Baisong Cheng Yingzhi Zeng Delvin Wuu Jing Jun Lee Siew Lang Teo Si Rong Ng Dennis Cheng Cheh Tan Pei Wang Zachary Aitken Yong-Wei Zhang Unexpected spinodal decomposition in as-cast eutectic high entropy alloy Al30Co10Cr30Fe15Ni15 Materials & Design Spinodal decomposition High entropy alloys CALPHAD First principles calculation Eutectics |
| title | Unexpected spinodal decomposition in as-cast eutectic high entropy alloy Al30Co10Cr30Fe15Ni15 |
| title_full | Unexpected spinodal decomposition in as-cast eutectic high entropy alloy Al30Co10Cr30Fe15Ni15 |
| title_fullStr | Unexpected spinodal decomposition in as-cast eutectic high entropy alloy Al30Co10Cr30Fe15Ni15 |
| title_full_unstemmed | Unexpected spinodal decomposition in as-cast eutectic high entropy alloy Al30Co10Cr30Fe15Ni15 |
| title_short | Unexpected spinodal decomposition in as-cast eutectic high entropy alloy Al30Co10Cr30Fe15Ni15 |
| title_sort | unexpected spinodal decomposition in as cast eutectic high entropy alloy al30co10cr30fe15ni15 |
| topic | Spinodal decomposition High entropy alloys CALPHAD First principles calculation Eutectics |
| url | http://www.sciencedirect.com/science/article/pii/S0264127523009243 |
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