High-entropy alloy inspired development of compositionally complex superhard (Hf,Ta,Ti,V,Zr)-B-N coatings
Phase stability and mechanical properties of multimetal-boronnitride (Hf,Ta,Ti,V,Zr)-B-N is investigated by ab initio computations and experimental methods. (Hf,Ta,Ti,V,Zr)-B-N shows a strong energetic preference for the fcc NaCl-type structure over other structures up to a B:N ratio of 3.5. Reactiv...
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| Format: | Article |
| Language: | English |
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Elsevier
2022-06-01
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| Series: | Materials & Design |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S0264127522003173 |
| _version_ | 1811258748828647424 |
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| author | Andreas Kretschmer Alexander Kirnbauer Eduardo Pitthan Daniel Primetzhofer Kumar Yalamanchili Helmut Rudigier Paul Heinz Mayrhofer |
| author_facet | Andreas Kretschmer Alexander Kirnbauer Eduardo Pitthan Daniel Primetzhofer Kumar Yalamanchili Helmut Rudigier Paul Heinz Mayrhofer |
| author_sort | Andreas Kretschmer |
| collection | DOAJ |
| description | Phase stability and mechanical properties of multimetal-boronnitride (Hf,Ta,Ti,V,Zr)-B-N is investigated by ab initio computations and experimental methods. (Hf,Ta,Ti,V,Zr)-B-N shows a strong energetic preference for the fcc NaCl-type structure over other structures up to a B:N ratio of 3.5. Reactively deposited (Hf,Ta,Ti,V,Zr)-B-N coatings show formation of X-ray amorphous BN, accompanied by a drastic hardness decrease with increasing B content. But non-reactively sputtered (Hf,Ta,Ti,V,Zr)-B-N coatings exhibit a single-phase fcc solid solution, up to the maximum B:N ratio of 1.12 studied, in good agreement with calculations. All non-reactively sputtered multimetal-boronnitride coatings contain a high Zr metal-fraction and ≈8at% C, stemming from impurities in the target. The single-phase coatings reach superhardness up to 46.3 GPa. Even after vacuum annealing to 1200°C, the hardness of the coating with a B:N ratio of 1.03 is still 43.7 GPa, while that of ZrN0.72C0.28 decreased from 36.3 to 30.2 GPa. Our results demonstrate the importance of the deposition technique to deposit single-phased coatings with exceptional hardness and thermal stability. |
| first_indexed | 2024-04-12T18:19:16Z |
| format | Article |
| id | doaj.art-ec5bd96d84ed45729f73af41cf8c5c52 |
| institution | Directory Open Access Journal |
| issn | 0264-1275 |
| language | English |
| last_indexed | 2024-04-12T18:19:16Z |
| publishDate | 2022-06-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Materials & Design |
| spelling | doaj.art-ec5bd96d84ed45729f73af41cf8c5c522022-12-22T03:21:30ZengElsevierMaterials & Design0264-12752022-06-01218110695High-entropy alloy inspired development of compositionally complex superhard (Hf,Ta,Ti,V,Zr)-B-N coatingsAndreas Kretschmer0Alexander Kirnbauer1Eduardo Pitthan2Daniel Primetzhofer3Kumar Yalamanchili4Helmut Rudigier5Paul Heinz Mayrhofer6Institute of Materials Science and Technology, TU Wien, Getreidemarkt 9, 1060 Vienna, Austria; Corresponding author.Institute of Materials Science and Technology, TU Wien, Getreidemarkt 9, 1060 Vienna, AustriaDepartment of Physics and Astronomy, Uppsala University, SE-75120 Uppsala, SwedenDepartment of Physics and Astronomy, Uppsala University, SE-75120 Uppsala, SwedenOerlikon Balzers, Oerlikon Surface Solutions AG, Iramalli 18, 9496 Balzers, LiechtensteinOerlikon Balzers, Oerlikon Surface Solutions AG, Iramalli 18, 9496 Balzers, Liechtenstein; OC Oerlikon Management AG, 8808 Pfäffikon SZ, SwitzerlandInstitute of Materials Science and Technology, TU Wien, Getreidemarkt 9, 1060 Vienna, AustriaPhase stability and mechanical properties of multimetal-boronnitride (Hf,Ta,Ti,V,Zr)-B-N is investigated by ab initio computations and experimental methods. (Hf,Ta,Ti,V,Zr)-B-N shows a strong energetic preference for the fcc NaCl-type structure over other structures up to a B:N ratio of 3.5. Reactively deposited (Hf,Ta,Ti,V,Zr)-B-N coatings show formation of X-ray amorphous BN, accompanied by a drastic hardness decrease with increasing B content. But non-reactively sputtered (Hf,Ta,Ti,V,Zr)-B-N coatings exhibit a single-phase fcc solid solution, up to the maximum B:N ratio of 1.12 studied, in good agreement with calculations. All non-reactively sputtered multimetal-boronnitride coatings contain a high Zr metal-fraction and ≈8at% C, stemming from impurities in the target. The single-phase coatings reach superhardness up to 46.3 GPa. Even after vacuum annealing to 1200°C, the hardness of the coating with a B:N ratio of 1.03 is still 43.7 GPa, while that of ZrN0.72C0.28 decreased from 36.3 to 30.2 GPa. Our results demonstrate the importance of the deposition technique to deposit single-phased coatings with exceptional hardness and thermal stability.http://www.sciencedirect.com/science/article/pii/S0264127522003173PVDDFTBoronnitridesSuperhard materialsEntropy |
| spellingShingle | Andreas Kretschmer Alexander Kirnbauer Eduardo Pitthan Daniel Primetzhofer Kumar Yalamanchili Helmut Rudigier Paul Heinz Mayrhofer High-entropy alloy inspired development of compositionally complex superhard (Hf,Ta,Ti,V,Zr)-B-N coatings Materials & Design PVD DFT Boronnitrides Superhard materials Entropy |
| title | High-entropy alloy inspired development of compositionally complex superhard (Hf,Ta,Ti,V,Zr)-B-N coatings |
| title_full | High-entropy alloy inspired development of compositionally complex superhard (Hf,Ta,Ti,V,Zr)-B-N coatings |
| title_fullStr | High-entropy alloy inspired development of compositionally complex superhard (Hf,Ta,Ti,V,Zr)-B-N coatings |
| title_full_unstemmed | High-entropy alloy inspired development of compositionally complex superhard (Hf,Ta,Ti,V,Zr)-B-N coatings |
| title_short | High-entropy alloy inspired development of compositionally complex superhard (Hf,Ta,Ti,V,Zr)-B-N coatings |
| title_sort | high entropy alloy inspired development of compositionally complex superhard hf ta ti v zr b n coatings |
| topic | PVD DFT Boronnitrides Superhard materials Entropy |
| url | http://www.sciencedirect.com/science/article/pii/S0264127522003173 |
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