Effect of Mo and Cr on S-Induced Intergranular Fracture in γ-Fe
S is a common corrosion medium for austenitic stainless steels. The severe intergranular fracture of austenitic stainless steels occurs in sulfur environments. In this paper, the permeation of S at different atomic positions for three symmetric tilt grain boundary types, i.e., Σ5(210), Σ5(310), and...
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MDPI AG
2022-09-01
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| Series: | Metals |
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| Online Access: | https://www.mdpi.com/2075-4701/12/10/1606 |
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| author | Si Liu Yi Zhang Junyu Ren Nan Dong Caili Zhang Jinyao Ma Zhouhua Jiang Huabing Li Peide Han |
| author_facet | Si Liu Yi Zhang Junyu Ren Nan Dong Caili Zhang Jinyao Ma Zhouhua Jiang Huabing Li Peide Han |
| author_sort | Si Liu |
| collection | DOAJ |
| description | S is a common corrosion medium for austenitic stainless steels. The severe intergranular fracture of austenitic stainless steels occurs in sulfur environments. In this paper, the permeation of S at different atomic positions for three symmetric tilt grain boundary types, i.e., Σ5(210), Σ5(310), and Σ9(114) have been computed using first-principles calculations. S has the strongest segregation tendency in the Σ5(210) grain boundary. A high content of S at the grain boundary indicates harm to the grain boundary. Sulfur segregation in the grain boundaries can weaken the strength of the metallic bond. When Mo and Cr are present at the Σ5(210) grain boundary, the sulfur-induced embrittlement is inhibited. With increased S concentration at the grain boundary, the coexistence of Mo and Cr can suppress the intergranular fracture of S on the grain boundary. The reason why high-Mo stainless steel has excellent sulfur-induced intergranular corrosion resistance is explained at the atomic level. |
| first_indexed | 2024-03-09T19:48:34Z |
| format | Article |
| id | doaj.art-accc5a0f64d54c908b9d682717d6ad1e |
| institution | Directory Open Access Journal |
| issn | 2075-4701 |
| language | English |
| last_indexed | 2024-03-09T19:48:34Z |
| publishDate | 2022-09-01 |
| publisher | MDPI AG |
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| spelling | doaj.art-accc5a0f64d54c908b9d682717d6ad1e2023-11-24T01:17:44ZengMDPI AGMetals2075-47012022-09-011210160610.3390/met12101606Effect of Mo and Cr on S-Induced Intergranular Fracture in γ-FeSi Liu0Yi Zhang1Junyu Ren2Nan Dong3Caili Zhang4Jinyao Ma5Zhouhua Jiang6Huabing Li7Peide Han8College of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan 030024, ChinaCollege of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan 030024, ChinaCollege of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan 030024, ChinaCollege of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan 030024, ChinaCollege of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan 030024, ChinaCollege of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan 030024, ChinaSchool of Metallurgy, Northeastern University, Shenyang 110167, ChinaSchool of Metallurgy, Northeastern University, Shenyang 110167, ChinaCollege of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan 030024, ChinaS is a common corrosion medium for austenitic stainless steels. The severe intergranular fracture of austenitic stainless steels occurs in sulfur environments. In this paper, the permeation of S at different atomic positions for three symmetric tilt grain boundary types, i.e., Σ5(210), Σ5(310), and Σ9(114) have been computed using first-principles calculations. S has the strongest segregation tendency in the Σ5(210) grain boundary. A high content of S at the grain boundary indicates harm to the grain boundary. Sulfur segregation in the grain boundaries can weaken the strength of the metallic bond. When Mo and Cr are present at the Σ5(210) grain boundary, the sulfur-induced embrittlement is inhibited. With increased S concentration at the grain boundary, the coexistence of Mo and Cr can suppress the intergranular fracture of S on the grain boundary. The reason why high-Mo stainless steel has excellent sulfur-induced intergranular corrosion resistance is explained at the atomic level.https://www.mdpi.com/2075-4701/12/10/1606austenitic steelintergranular fracturesulfurfirst principles |
| spellingShingle | Si Liu Yi Zhang Junyu Ren Nan Dong Caili Zhang Jinyao Ma Zhouhua Jiang Huabing Li Peide Han Effect of Mo and Cr on S-Induced Intergranular Fracture in γ-Fe Metals austenitic steel intergranular fracture sulfur first principles |
| title | Effect of Mo and Cr on S-Induced Intergranular Fracture in γ-Fe |
| title_full | Effect of Mo and Cr on S-Induced Intergranular Fracture in γ-Fe |
| title_fullStr | Effect of Mo and Cr on S-Induced Intergranular Fracture in γ-Fe |
| title_full_unstemmed | Effect of Mo and Cr on S-Induced Intergranular Fracture in γ-Fe |
| title_short | Effect of Mo and Cr on S-Induced Intergranular Fracture in γ-Fe |
| title_sort | effect of mo and cr on s induced intergranular fracture in γ fe |
| topic | austenitic steel intergranular fracture sulfur first principles |
| url | https://www.mdpi.com/2075-4701/12/10/1606 |
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