{"title":"高硫钢凝固过程中夹杂物沉淀的第一原理计算和现场观察","authors":"Haixin Yang, Ying Ren, Jinshu Wang, Lifeng Zhang","doi":"10.1002/srin.202400465","DOIUrl":null,"url":null,"abstract":"<p>The precipitation process of inclusions in the high sulfur steel with the cerium addition is observed using the high-temperature confocal scanning laser microscope (CSLM). Rare earth (Re) inclusions formed in the molten steel, and MnS inclusions precipitate along grain boundaries or on oxide cores at the end of solidification. With the addition of cerium, the average aspect ratio of inclusions in the steel decreases from 6.5 to 5.0, and the addition of cerium effectively modifies the elongated MnS. Thermodynamic calculations show the inclusion transformation during solidification, yet it lacked the formation of Ce<sub>2</sub>O<sub>2</sub>S and Re sulfides. According to the first-principles calculation, the priority of the inclusion formation was Ce<sub>2</sub>O<sub>3</sub> > CeAlO<sub>3</sub>, Ce<sub>2</sub>O<sub>2</sub>S > CeS > Ce<sub>3</sub>S<sub>4</sub> > MnS. The stability of MnS inclusions is much lower than that of cerium-containing inclusions. It is in situ observed that the addition of cerium promotes the formation of cerium-containing inclusions and reduces the precipitation of MnS in the high sulfur steel.</p>","PeriodicalId":1,"journal":{"name":"Accounts of Chemical Research","volume":null,"pages":null},"PeriodicalIF":16.4000,"publicationDate":"2024-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"First-Principles Calculation and In Situ Observation on the Precipitation of Inclusions during Solidification of a High Sulfur Steel\",\"authors\":\"Haixin Yang, Ying Ren, Jinshu Wang, Lifeng Zhang\",\"doi\":\"10.1002/srin.202400465\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>The precipitation process of inclusions in the high sulfur steel with the cerium addition is observed using the high-temperature confocal scanning laser microscope (CSLM). Rare earth (Re) inclusions formed in the molten steel, and MnS inclusions precipitate along grain boundaries or on oxide cores at the end of solidification. With the addition of cerium, the average aspect ratio of inclusions in the steel decreases from 6.5 to 5.0, and the addition of cerium effectively modifies the elongated MnS. Thermodynamic calculations show the inclusion transformation during solidification, yet it lacked the formation of Ce<sub>2</sub>O<sub>2</sub>S and Re sulfides. According to the first-principles calculation, the priority of the inclusion formation was Ce<sub>2</sub>O<sub>3</sub> > CeAlO<sub>3</sub>, Ce<sub>2</sub>O<sub>2</sub>S > CeS > Ce<sub>3</sub>S<sub>4</sub> > MnS. The stability of MnS inclusions is much lower than that of cerium-containing inclusions. It is in situ observed that the addition of cerium promotes the formation of cerium-containing inclusions and reduces the precipitation of MnS in the high sulfur steel.</p>\",\"PeriodicalId\":1,\"journal\":{\"name\":\"Accounts of Chemical Research\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":16.4000,\"publicationDate\":\"2024-08-12\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Accounts of Chemical Research\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://onlinelibrary.wiley.com/doi/10.1002/srin.202400465\",\"RegionNum\":1,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Accounts of Chemical Research","FirstCategoryId":"88","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/srin.202400465","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
First-Principles Calculation and In Situ Observation on the Precipitation of Inclusions during Solidification of a High Sulfur Steel
The precipitation process of inclusions in the high sulfur steel with the cerium addition is observed using the high-temperature confocal scanning laser microscope (CSLM). Rare earth (Re) inclusions formed in the molten steel, and MnS inclusions precipitate along grain boundaries or on oxide cores at the end of solidification. With the addition of cerium, the average aspect ratio of inclusions in the steel decreases from 6.5 to 5.0, and the addition of cerium effectively modifies the elongated MnS. Thermodynamic calculations show the inclusion transformation during solidification, yet it lacked the formation of Ce2O2S and Re sulfides. According to the first-principles calculation, the priority of the inclusion formation was Ce2O3 > CeAlO3, Ce2O2S > CeS > Ce3S4 > MnS. The stability of MnS inclusions is much lower than that of cerium-containing inclusions. It is in situ observed that the addition of cerium promotes the formation of cerium-containing inclusions and reduces the precipitation of MnS in the high sulfur steel.
期刊介绍：
Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance.
Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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