New Cr-Ni-Base Alloy for High-Temperature Applications Designed on the Basis of First Principles Calculations
We use ab initio calculations to analyze the influence of 4d and 5d transition metal alloying elements on cohesive properties of the bulk and a representative grain boundary in Cr within the framework of the Rice–Thomson–Wang approach. The results obtained for Cr are combined with the analogous resu...
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| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
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Wiley
2018-01-01
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| Series: | Advances in Condensed Matter Physics |
| Online Access: | http://dx.doi.org/10.1155/2018/9383981 |
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| author | V. I. Razumovskiy D. Scheiber I. M. Razumovskii V. N. Butrim A. S. Trushnikova S. B. Varlamova A. G. Beresnev |
| author_facet | V. I. Razumovskiy D. Scheiber I. M. Razumovskii V. N. Butrim A. S. Trushnikova S. B. Varlamova A. G. Beresnev |
| author_sort | V. I. Razumovskiy |
| collection | DOAJ |
| description | We use ab initio calculations to analyze the influence of 4d and 5d transition metal alloying elements on cohesive properties of the bulk and a representative grain boundary in Cr within the framework of the Rice–Thomson–Wang approach. The results obtained for Cr are combined with the analogous results for Ni to select Ta and Nb as promising alloying additions to dual-phase (α/γ) Cr-Ni-base high-temperature alloys. Ta and Nb are added to the alloying system of an existing alloy I (Cr-Ni-W-V-Ti) in an attempt to design a chemical composition of a new alloy II (Cr-Ni-W-V-Ti) + (Ta-Nb). Investigation of the microstructure of the Ta-bearing Cr-Ni-alloy reveals a Ta enrichment of large γ-areas near GBs in α-matrix that we consider as potency to increase the cohesive strength of GBs and the cohesive energy of the bulk in γ-phase. Mechanical testing of alloys I and II demonstrates that the alloy II has improved tensile strength and creep resistance at high temperatures. |
| format | Article |
| id | doaj-art-ba6ea4be4e214de1a209aaeb360b1374 |
| institution | Kabale University |
| issn | 1687-8108 1687-8124 |
| language | English |
| publishDate | 2018-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Advances in Condensed Matter Physics |
| spelling | doaj-art-ba6ea4be4e214de1a209aaeb360b13742025-02-03T01:24:28ZengWileyAdvances in Condensed Matter Physics1687-81081687-81242018-01-01201810.1155/2018/93839819383981New Cr-Ni-Base Alloy for High-Temperature Applications Designed on the Basis of First Principles CalculationsV. I. Razumovskiy0D. Scheiber1I. M. Razumovskii2V. N. Butrim3A. S. Trushnikova4S. B. Varlamova5A. G. Beresnev6Materials Center Leoben Forschung GmbH, Roseggerstraße 12, 8700 Leoben, AustriaMaterials Center Leoben Forschung GmbH, Roseggerstraße 12, 8700 Leoben, AustriaJoint-Stock Company “Kompozit”, Pionerskaya St. 4, Korolev, Moscow Region 141070, RussiaJoint-Stock Company “Kompozit”, Pionerskaya St. 4, Korolev, Moscow Region 141070, RussiaJoint-Stock Company “Kompozit”, Pionerskaya St. 4, Korolev, Moscow Region 141070, RussiaJoint-Stock Company “Kompozit”, Pionerskaya St. 4, Korolev, Moscow Region 141070, RussiaJoint-Stock Company “Kompozit”, Pionerskaya St. 4, Korolev, Moscow Region 141070, RussiaWe use ab initio calculations to analyze the influence of 4d and 5d transition metal alloying elements on cohesive properties of the bulk and a representative grain boundary in Cr within the framework of the Rice–Thomson–Wang approach. The results obtained for Cr are combined with the analogous results for Ni to select Ta and Nb as promising alloying additions to dual-phase (α/γ) Cr-Ni-base high-temperature alloys. Ta and Nb are added to the alloying system of an existing alloy I (Cr-Ni-W-V-Ti) in an attempt to design a chemical composition of a new alloy II (Cr-Ni-W-V-Ti) + (Ta-Nb). Investigation of the microstructure of the Ta-bearing Cr-Ni-alloy reveals a Ta enrichment of large γ-areas near GBs in α-matrix that we consider as potency to increase the cohesive strength of GBs and the cohesive energy of the bulk in γ-phase. Mechanical testing of alloys I and II demonstrates that the alloy II has improved tensile strength and creep resistance at high temperatures.http://dx.doi.org/10.1155/2018/9383981 |
| spellingShingle | V. I. Razumovskiy D. Scheiber I. M. Razumovskii V. N. Butrim A. S. Trushnikova S. B. Varlamova A. G. Beresnev New Cr-Ni-Base Alloy for High-Temperature Applications Designed on the Basis of First Principles Calculations Advances in Condensed Matter Physics |
| title | New Cr-Ni-Base Alloy for High-Temperature Applications Designed on the Basis of First Principles Calculations |
| title_full | New Cr-Ni-Base Alloy for High-Temperature Applications Designed on the Basis of First Principles Calculations |
| title_fullStr | New Cr-Ni-Base Alloy for High-Temperature Applications Designed on the Basis of First Principles Calculations |
| title_full_unstemmed | New Cr-Ni-Base Alloy for High-Temperature Applications Designed on the Basis of First Principles Calculations |
| title_short | New Cr-Ni-Base Alloy for High-Temperature Applications Designed on the Basis of First Principles Calculations |
| title_sort | new cr ni base alloy for high temperature applications designed on the basis of first principles calculations |
| url | http://dx.doi.org/10.1155/2018/9383981 |
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