Theoretical Investigation of Effects of Transition Elements on Phase Stabilities and Elastic Properties of the γ′ Phase in Co–V–Ta Superalloys
In order to improve the thermal stability and mechanical properties of W-free light-weight Co–V–Ta-based superalloys, the effects of alloying elements including Sc, Ti, Cr, Mn, Fe, Ni, Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Hf, W, Re, Os, Ir, and Pt on γ′-Co3(V, Ta) stability and elastic properties were stu...
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Frontiers Media S.A.
2022-05-01
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| Online Access: | https://www.frontiersin.org/articles/10.3389/fmats.2022.885608/full |
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| author | Youheng Chen Cuiping Wang Cuiping Wang Chi Zhang Chen Yang Jiajia Han Jiajia Han Xingjun Liu Xingjun Liu Xingjun Liu |
| author_facet | Youheng Chen Cuiping Wang Cuiping Wang Chi Zhang Chen Yang Jiajia Han Jiajia Han Xingjun Liu Xingjun Liu Xingjun Liu |
| author_sort | Youheng Chen |
| collection | DOAJ |
| description | In order to improve the thermal stability and mechanical properties of W-free light-weight Co–V–Ta-based superalloys, the effects of alloying elements including Sc, Ti, Cr, Mn, Fe, Ni, Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Hf, W, Re, Os, Ir, and Pt on γ′-Co3(V, Ta) stability and elastic properties were studied. The results from the reaction energy indicate that Sc, Ti, Y, Zr, Nb, Mo, Hf, and W tend to occupy the V site, whereas Cr, Mn, Fe, Ni, Tc, Ru, Rh, Pd, Re, Os, Ir, and Pt prefer to occupy the Co site. It was found that Sc, Ti, Y, Zr, Fe, and Mn stabilize the γ′-Co3(V, Ta) phase by raising the phase-transfer energy. The addition of Mo and W increases the bulk modulus, shear modulus, and Young’s modulus. According to Pugh’s classical criterion, the γ′-Co3(V, Ta) phase is an intrinsically brittle material, and the addition of elements such as Tc and Re significantly enhances the ductility. At finite temperature, the doping of Sc, Ti, Mn, Fe, and Hf enhances the relative stability of the γ′-Co3(V, Ta) phase in the whole temperature range from 0 to 1200 K and are candidates for improving the stability of the γ′-Co3(V, Ta) phase. |
| first_indexed | 2024-12-12T10:05:35Z |
| format | Article |
| id | doaj.art-8ba42a06656643d28b132bd605d87797 |
| institution | Directory Open Access Journal |
| issn | 2296-8016 |
| language | English |
| last_indexed | 2024-12-12T10:05:35Z |
| publishDate | 2022-05-01 |
| publisher | Frontiers Media S.A. |
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| series | Frontiers in Materials |
| spelling | doaj.art-8ba42a06656643d28b132bd605d877972022-12-22T00:27:54ZengFrontiers Media S.A.Frontiers in Materials2296-80162022-05-01910.3389/fmats.2022.885608885608Theoretical Investigation of Effects of Transition Elements on Phase Stabilities and Elastic Properties of the γ′ Phase in Co–V–Ta SuperalloysYouheng Chen0Cuiping Wang1Cuiping Wang2Chi Zhang3Chen Yang4Jiajia Han5Jiajia Han6Xingjun Liu7Xingjun Liu8Xingjun Liu9College of Materials and Fujian Provincial Key Laboratory of Materials Genome, Xiamen University, Xiamen, ChinaCollege of Materials and Fujian Provincial Key Laboratory of Materials Genome, Xiamen University, Xiamen, ChinaXiamen Key Laboratory of High Performance Metals and Materials, Xiamen University, Xiamen, ChinaCollege of Materials and Fujian Provincial Key Laboratory of Materials Genome, Xiamen University, Xiamen, ChinaCollege of Materials and Fujian Provincial Key Laboratory of Materials Genome, Xiamen University, Xiamen, ChinaCollege of Materials and Fujian Provincial Key Laboratory of Materials Genome, Xiamen University, Xiamen, ChinaXiamen Key Laboratory of High Performance Metals and Materials, Xiamen University, Xiamen, ChinaCollege of Materials and Fujian Provincial Key Laboratory of Materials Genome, Xiamen University, Xiamen, ChinaXiamen Key Laboratory of High Performance Metals and Materials, Xiamen University, Xiamen, ChinaInstitute of Materials Genome and Big Data, Harbin Institute of Technology, Shenzhen, ChinaIn order to improve the thermal stability and mechanical properties of W-free light-weight Co–V–Ta-based superalloys, the effects of alloying elements including Sc, Ti, Cr, Mn, Fe, Ni, Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Hf, W, Re, Os, Ir, and Pt on γ′-Co3(V, Ta) stability and elastic properties were studied. The results from the reaction energy indicate that Sc, Ti, Y, Zr, Nb, Mo, Hf, and W tend to occupy the V site, whereas Cr, Mn, Fe, Ni, Tc, Ru, Rh, Pd, Re, Os, Ir, and Pt prefer to occupy the Co site. It was found that Sc, Ti, Y, Zr, Fe, and Mn stabilize the γ′-Co3(V, Ta) phase by raising the phase-transfer energy. The addition of Mo and W increases the bulk modulus, shear modulus, and Young’s modulus. According to Pugh’s classical criterion, the γ′-Co3(V, Ta) phase is an intrinsically brittle material, and the addition of elements such as Tc and Re significantly enhances the ductility. At finite temperature, the doping of Sc, Ti, Mn, Fe, and Hf enhances the relative stability of the γ′-Co3(V, Ta) phase in the whole temperature range from 0 to 1200 K and are candidates for improving the stability of the γ′-Co3(V, Ta) phase.https://www.frontiersin.org/articles/10.3389/fmats.2022.885608/fullfirst-principle calculationsCo–V–Ta-based superalloysmechanical propertiesthermodynamic propertiesphase stability |
| spellingShingle | Youheng Chen Cuiping Wang Cuiping Wang Chi Zhang Chen Yang Jiajia Han Jiajia Han Xingjun Liu Xingjun Liu Xingjun Liu Theoretical Investigation of Effects of Transition Elements on Phase Stabilities and Elastic Properties of the γ′ Phase in Co–V–Ta Superalloys Frontiers in Materials first-principle calculations Co–V–Ta-based superalloys mechanical properties thermodynamic properties phase stability |
| title | Theoretical Investigation of Effects of Transition Elements on Phase Stabilities and Elastic Properties of the γ′ Phase in Co–V–Ta Superalloys |
| title_full | Theoretical Investigation of Effects of Transition Elements on Phase Stabilities and Elastic Properties of the γ′ Phase in Co–V–Ta Superalloys |
| title_fullStr | Theoretical Investigation of Effects of Transition Elements on Phase Stabilities and Elastic Properties of the γ′ Phase in Co–V–Ta Superalloys |
| title_full_unstemmed | Theoretical Investigation of Effects of Transition Elements on Phase Stabilities and Elastic Properties of the γ′ Phase in Co–V–Ta Superalloys |
| title_short | Theoretical Investigation of Effects of Transition Elements on Phase Stabilities and Elastic Properties of the γ′ Phase in Co–V–Ta Superalloys |
| title_sort | theoretical investigation of effects of transition elements on phase stabilities and elastic properties of the γ phase in co v ta superalloys |
| topic | first-principle calculations Co–V–Ta-based superalloys mechanical properties thermodynamic properties phase stability |
| url | https://www.frontiersin.org/articles/10.3389/fmats.2022.885608/full |
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