Adhesion property of AlCrNbSiTi high-entropy alloy coating on zirconium: experimental and theoretical studies

IF 3.6 1区 物理与天体物理 Q1 NUCLEAR SCIENCE & TECHNOLOGY Nuclear Science and Techniques Pub Date : 2024-08-07 DOI:10.1007/s41365-024-01508-z
Bao-Liang Zhang, Wen-Guan Liu, Meng-He Tu, Can Fang, Yan Liu, Yu-Hui Wang, Yong Hu, Hui Wang
{"title":"Adhesion property of AlCrNbSiTi high-entropy alloy coating on zirconium: experimental and theoretical studies","authors":"Bao-Liang Zhang, Wen-Guan Liu, Meng-He Tu, Can Fang, Yan Liu, Yu-Hui Wang, Yong Hu, Hui Wang","doi":"10.1007/s41365-024-01508-z","DOIUrl":null,"url":null,"abstract":"<p>Experimental scratch tests and first-principles calculations were used to investigate the adhesion property of AlCrNbSiTi high-entropy alloy (HEA) coatings on zirconium substrates. AlCrNbSiTi HEA and Cr coatings were deposited on Zr alloy substrates using multi-arc ion plating technology, and scratch tests were subsequently conducted to estimate the adhesion property of the coatings. The results indicated that Cr coatings had better adhesion strength than HEA coatings, and the HEA coatings showed brittleness. The special quasi-random structure approach was used to build HEA models, and Cr/Zr and HEA/Zr interface models were employed to investigate the cohesion between the coatings and Zr substrate using first-principles calculations. The calculated interface energies showed that the cohesion between the Cr coating and the Zr substrate was stronger than that of the HEA coating with Zr. In contrary to Al or Si in the HEA coating, Cr, Nb, and Ti atoms binded strongly with Zr substrate. Based on the calculated elastic constants, it was found that low Cr and high Al content decreased the mechanical performances of HEA coatings. Finally, this study demonstrated the utilization of a combined approach involving first-principles calculations and experimental studies for future HEA coating development.</p>","PeriodicalId":19177,"journal":{"name":"Nuclear Science and Techniques","volume":null,"pages":null},"PeriodicalIF":3.6000,"publicationDate":"2024-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Nuclear Science and Techniques","FirstCategoryId":"101","ListUrlMain":"https://doi.org/10.1007/s41365-024-01508-z","RegionNum":1,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"NUCLEAR SCIENCE & TECHNOLOGY","Score":null,"Total":0}
引用次数: 0

Abstract

Experimental scratch tests and first-principles calculations were used to investigate the adhesion property of AlCrNbSiTi high-entropy alloy (HEA) coatings on zirconium substrates. AlCrNbSiTi HEA and Cr coatings were deposited on Zr alloy substrates using multi-arc ion plating technology, and scratch tests were subsequently conducted to estimate the adhesion property of the coatings. The results indicated that Cr coatings had better adhesion strength than HEA coatings, and the HEA coatings showed brittleness. The special quasi-random structure approach was used to build HEA models, and Cr/Zr and HEA/Zr interface models were employed to investigate the cohesion between the coatings and Zr substrate using first-principles calculations. The calculated interface energies showed that the cohesion between the Cr coating and the Zr substrate was stronger than that of the HEA coating with Zr. In contrary to Al or Si in the HEA coating, Cr, Nb, and Ti atoms binded strongly with Zr substrate. Based on the calculated elastic constants, it was found that low Cr and high Al content decreased the mechanical performances of HEA coatings. Finally, this study demonstrated the utilization of a combined approach involving first-principles calculations and experimental studies for future HEA coating development.

Abstract Image

查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
锆上 AlCrNbSiTi 高熵合金涂层的附着特性:实验与理论研究
实验划痕测试和第一原理计算用于研究锆基底上的铝铬铌硅钛高熵合金(HEA)涂层的附着力特性。采用多弧离子镀技术在锆合金基底上沉积了 AlCrNbSiTi 高熵合金和铬涂层,随后进行了划痕测试,以评估涂层的附着特性。结果表明,与 HEA 涂层相比,铬涂层具有更好的附着强度,而 HEA 涂层则表现出脆性。利用特殊的准随机结构方法建立了 HEA 模型,并采用 Cr/Zr 和 HEA/Zr 界面模型,通过第一性原理计算研究了涂层与 Zr 基底之间的内聚力。计算得出的界面能表明,Cr 涂层与 Zr 基体之间的内聚力强于 HEA 涂层与 Zr 基体之间的内聚力。与 HEA 涂层中的 Al 或 Si 相反,Cr、Nb 和 Ti 原子与 Zr 基底的结合力很强。根据计算的弹性常数,发现低铬和高铝含量会降低 HEA 涂层的机械性能。最后,本研究证明了第一原理计算和实验研究相结合的方法在未来 HEA 涂层开发中的应用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 去求助
来源期刊
Nuclear Science and Techniques
Nuclear Science and Techniques 物理-核科学技术
CiteScore
5.10
自引率
39.30%
发文量
141
审稿时长
5 months
期刊介绍: Nuclear Science and Techniques (NST) reports scientific findings, technical advances and important results in the fields of nuclear science and techniques. The aim of this periodical is to stimulate cross-fertilization of knowledge among scientists and engineers working in the fields of nuclear research. Scope covers the following subjects: • Synchrotron radiation applications, beamline technology; • Accelerator, ray technology and applications; • Nuclear chemistry, radiochemistry, radiopharmaceuticals, nuclear medicine; • Nuclear electronics and instrumentation; • Nuclear physics and interdisciplinary research; • Nuclear energy science and engineering.
期刊最新文献
Properties of the phase diagram from the Nambu-Jona-Lasino model with a scalar-vector interaction In-beam gamma rays of CSNS Back-n characterized by black resonance filter Analysis of level structure and monopole effects in Ca isotopes Highly coupled off-resonance lattice design in diffraction-limited light sources Possibility of reaching the predicted center of the “island of stability” via the radioactive beam-induced fusion reactions
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1