{"title":"Effect of Si and P elements on the stability of Fe2Mo-Laves phase in ferritic stainless steel","authors":"","doi":"10.1016/j.jssc.2024.124968","DOIUrl":null,"url":null,"abstract":"<div><p>It is of great significance to study the nucleation mechanism of Si and P elements in the Fe<sub>2</sub>Mo-Laves phase to control their precipitation and improve the strength of steel. Based on the first-principles calculations, the effects of Si and P elements on the stability of Fe<sub>2</sub>Mo were studied. The addition of Si and P greatly increases the possibility of its formation in steel. When the Si and P concentrations are 37.5 %, the formation energy is the lowest. Si and P elements improve the stress deformation resistance and the stiffness of Laves phase, which makes Laves phase more stable in high-temperature environment. The addition of Si and P significantly improves the kinetic stability of Fe<sub>2</sub>Mo, but the improvement effect of P is not as good as that of Si. This study provides theoretical guidance for controlling the precipitation of the Fe<sub>2</sub>Mo-Laves phase in practical production.</p></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":null,"pages":null},"PeriodicalIF":3.2000,"publicationDate":"2024-08-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Solid State Chemistry","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0022459624004225","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
引用次数: 0
Abstract
It is of great significance to study the nucleation mechanism of Si and P elements in the Fe2Mo-Laves phase to control their precipitation and improve the strength of steel. Based on the first-principles calculations, the effects of Si and P elements on the stability of Fe2Mo were studied. The addition of Si and P greatly increases the possibility of its formation in steel. When the Si and P concentrations are 37.5 %, the formation energy is the lowest. Si and P elements improve the stress deformation resistance and the stiffness of Laves phase, which makes Laves phase more stable in high-temperature environment. The addition of Si and P significantly improves the kinetic stability of Fe2Mo, but the improvement effect of P is not as good as that of Si. This study provides theoretical guidance for controlling the precipitation of the Fe2Mo-Laves phase in practical production.
研究 Si 和 P 元素在 Fe2Mo-Laves 相中的成核机制对控制其析出和提高钢的强度具有重要意义。基于第一性原理计算，研究了 Si 和 P 元素对 Fe2Mo 稳定性的影响。Si和P的加入大大增加了Fe2Mo在钢中形成的可能性。当 Si 和 P 的浓度为 37.5% 时，形成能最低。Si和P元素提高了Laves相的抗应力变形能力和刚度，从而使Laves相在高温环境中更加稳定。添加 Si 和 P 元素可明显改善 Fe2Mo 的动力学稳定性，但 P 元素的改善效果不如 Si 元素。这项研究为在实际生产中控制 Fe2Mo-Laves 相的析出提供了理论指导。
期刊介绍：
Covering major developments in the field of solid state chemistry and related areas such as ceramics and amorphous materials, the Journal of Solid State Chemistry features studies of chemical, structural, thermodynamic, electronic, magnetic, and optical properties and processes in solids.
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