Experimental investigation and first-principles calculations of Nb and W alloying effects on the microstructure and properties of MoSi2 coatings fabricated via arc cladding
MoSi _2 is one of the most promising refractory metal silicide materials, but its further use as a structural material is limited by its drawbacks such as poor room-temperature toughness and low high-temperature strength. The work performed a comprehensive investigation combining first-principles ca...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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IOP Publishing
2023-01-01
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| Series: | Materials Research Express |
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| Online Access: | https://doi.org/10.1088/2053-1591/acfc9a |
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| author | YuRui Wang ShunPing Sun Yang Zhang HongJin Wang XiaoPing Li WeiNing Lei |
| author_facet | YuRui Wang ShunPing Sun Yang Zhang HongJin Wang XiaoPing Li WeiNing Lei |
| author_sort | YuRui Wang |
| collection | DOAJ |
| description | MoSi _2 is one of the most promising refractory metal silicide materials, but its further use as a structural material is limited by its drawbacks such as poor room-temperature toughness and low high-temperature strength. The work performed a comprehensive investigation combining first-principles calculations and arc cladding experiments to explore the effects of Nb and W doping on the mechanical properties and electronic structure of MoSi _2 coatings. The first-principles calculations revealed that Nb addition improved the B/G value and Poisson’s ratio of MoSi _2 , indicating enhanced ductility. W addition yields the opposite effect and led to a higher elastic modulus and improved hardness. Experimental results demonstrated that the arc-cladding MoSi _2 coating mainly consisted of MoSi _2 and Mo _5 Si _3 phases with a dendritic microstructure. Upon doping with Nb and W, additional t-(Mo,Nb)Si _2 and t-(Mo,W)Si _2 phases were formed, which resulted in a denser and finer microstructure. Nb addition contributed to the solid-solution toughening of the coating, while W addition enhanced hardness but reduced toughness. Remarkably, the synergistic alloying of Nb and W significantly increased the hardness and fracture toughness of the coating by 30.7 and 70.7%, respectively, compared to pure MoSi _2 . The strengthening mechanism of the coating was attributed to solid-solution softening and fine-grain strengthening, while the crack extension mechanism involved the crack deflection and bridging. Furthermore, the coatings doped with 2% Nb and 4% W exhibited the lowest wear weight loss and superior wear resistance. The dominant wear mechanisms were oxidation wear and abrasive wear. |
| first_indexed | 2024-03-11T19:42:32Z |
| format | Article |
| id | doaj.art-7e84cbd954474acb85d8cb8642437382 |
| institution | Directory Open Access Journal |
| issn | 2053-1591 |
| language | English |
| last_indexed | 2024-03-11T19:42:32Z |
| publishDate | 2023-01-01 |
| publisher | IOP Publishing |
| record_format | Article |
| series | Materials Research Express |
| spelling | doaj.art-7e84cbd954474acb85d8cb86424373822023-10-06T07:35:08ZengIOP PublishingMaterials Research Express2053-15912023-01-01101010650410.1088/2053-1591/acfc9aExperimental investigation and first-principles calculations of Nb and W alloying effects on the microstructure and properties of MoSi2 coatings fabricated via arc claddingYuRui Wang0https://orcid.org/0009-0007-0642-3126ShunPing Sun1https://orcid.org/0000-0001-9945-2477Yang Zhang2HongJin Wang3XiaoPing Li4WeiNing Lei5Jiangsu Key Laboratory of Advanced Materials Design and Additive Manufacturing, Jiangsu University of Technology , Changzhou, 213001, People’s Republic of ChinaJiangsu Key Laboratory of Advanced Materials Design and Additive Manufacturing, Jiangsu University of Technology , Changzhou, 213001, People’s Republic of ChinaJiangsu Key Laboratory of Advanced Materials Design and Additive Manufacturing, Jiangsu University of Technology , Changzhou, 213001, People’s Republic of ChinaJiangsu Key Laboratory of Advanced Materials Design and Additive Manufacturing, Jiangsu University of Technology , Changzhou, 213001, People’s Republic of ChinaJiangsu Key Laboratory of Advanced Materials Design and Additive Manufacturing, Jiangsu University of Technology , Changzhou, 213001, People’s Republic of ChinaJiangsu Key Laboratory of Advanced Materials Design and Additive Manufacturing, Jiangsu University of Technology , Changzhou, 213001, People’s Republic of ChinaMoSi _2 is one of the most promising refractory metal silicide materials, but its further use as a structural material is limited by its drawbacks such as poor room-temperature toughness and low high-temperature strength. The work performed a comprehensive investigation combining first-principles calculations and arc cladding experiments to explore the effects of Nb and W doping on the mechanical properties and electronic structure of MoSi _2 coatings. The first-principles calculations revealed that Nb addition improved the B/G value and Poisson’s ratio of MoSi _2 , indicating enhanced ductility. W addition yields the opposite effect and led to a higher elastic modulus and improved hardness. Experimental results demonstrated that the arc-cladding MoSi _2 coating mainly consisted of MoSi _2 and Mo _5 Si _3 phases with a dendritic microstructure. Upon doping with Nb and W, additional t-(Mo,Nb)Si _2 and t-(Mo,W)Si _2 phases were formed, which resulted in a denser and finer microstructure. Nb addition contributed to the solid-solution toughening of the coating, while W addition enhanced hardness but reduced toughness. Remarkably, the synergistic alloying of Nb and W significantly increased the hardness and fracture toughness of the coating by 30.7 and 70.7%, respectively, compared to pure MoSi _2 . The strengthening mechanism of the coating was attributed to solid-solution softening and fine-grain strengthening, while the crack extension mechanism involved the crack deflection and bridging. Furthermore, the coatings doped with 2% Nb and 4% W exhibited the lowest wear weight loss and superior wear resistance. The dominant wear mechanisms were oxidation wear and abrasive wear.https://doi.org/10.1088/2053-1591/acfc9amolybdenum disilicide (MoSi2)first principlesarc claddingsynergistic alloyingfracture toughnesswear weight loss |
| spellingShingle | YuRui Wang ShunPing Sun Yang Zhang HongJin Wang XiaoPing Li WeiNing Lei Experimental investigation and first-principles calculations of Nb and W alloying effects on the microstructure and properties of MoSi2 coatings fabricated via arc cladding Materials Research Express molybdenum disilicide (MoSi2) first principles arc cladding synergistic alloying fracture toughness wear weight loss |
| title | Experimental investigation and first-principles calculations of Nb and W alloying effects on the microstructure and properties of MoSi2 coatings fabricated via arc cladding |
| title_full | Experimental investigation and first-principles calculations of Nb and W alloying effects on the microstructure and properties of MoSi2 coatings fabricated via arc cladding |
| title_fullStr | Experimental investigation and first-principles calculations of Nb and W alloying effects on the microstructure and properties of MoSi2 coatings fabricated via arc cladding |
| title_full_unstemmed | Experimental investigation and first-principles calculations of Nb and W alloying effects on the microstructure and properties of MoSi2 coatings fabricated via arc cladding |
| title_short | Experimental investigation and first-principles calculations of Nb and W alloying effects on the microstructure and properties of MoSi2 coatings fabricated via arc cladding |
| title_sort | experimental investigation and first principles calculations of nb and w alloying effects on the microstructure and properties of mosi2 coatings fabricated via arc cladding |
| topic | molybdenum disilicide (MoSi2) first principles arc cladding synergistic alloying fracture toughness wear weight loss |
| url | https://doi.org/10.1088/2053-1591/acfc9a |
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