{"title":"Si segregation deters prenucleation at the interfaces between liquid-aluminum and TiB2 substrates, the origin of ‘Si poisoning’","authors":"Changming Fang, Yun Wang, Zhongyun Fan","doi":"10.1016/j.scriptamat.2024.116445","DOIUrl":null,"url":null,"abstract":"<div><div>The mechanism of ‘Si poisoning’ of Al-Ti-B based grain-refiners in Al-Si alloys has been a topic of intensive study for over half a century. We here investigate prenucleation of Al at the Si segregated interfaces between liquid Al and TiB<sub>2</sub>{0001} substrates using <em>ab initio</em> techniques. Our study reveals that chemical affinity between Ti and Si atoms empowers Si segregation at the Al(l)/substrate interface during solidification. The Si interfacial segregation curbs atomic ordering in the liquid Al adjacent to the substrate. Consequently, prenucleation of Al atoms at the Al(l)/{0001}TiB<sub>2</sub> interface is deteriorated and thus, the subsequent nucleation process adversely affected, which causes the so-called ‘Si poisoning’ effect during the practice of grain refinement via inoculation with addition of TiB<sub>2</sub> particles in Al-Si alloys.</div></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":"256 ","pages":"Article 116445"},"PeriodicalIF":5.3000,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Scripta Materialia","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1359646224004809","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
The mechanism of ‘Si poisoning’ of Al-Ti-B based grain-refiners in Al-Si alloys has been a topic of intensive study for over half a century. We here investigate prenucleation of Al at the Si segregated interfaces between liquid Al and TiB2{0001} substrates using ab initio techniques. Our study reveals that chemical affinity between Ti and Si atoms empowers Si segregation at the Al(l)/substrate interface during solidification. The Si interfacial segregation curbs atomic ordering in the liquid Al adjacent to the substrate. Consequently, prenucleation of Al atoms at the Al(l)/{0001}TiB2 interface is deteriorated and thus, the subsequent nucleation process adversely affected, which causes the so-called ‘Si poisoning’ effect during the practice of grain refinement via inoculation with addition of TiB2 particles in Al-Si alloys.
期刊介绍:
Scripta Materialia is a LETTERS journal of Acta Materialia, providing a forum for the rapid publication of short communications on the relationship between the structure and the properties of inorganic materials. The emphasis is on originality rather than incremental research. Short reports on the development of materials with novel or substantially improved properties are also welcomed. Emphasis is on either the functional or mechanical behavior of metals, ceramics and semiconductors at all length scales.