fcc 镍-铁-钼合金中的相互扩散系数矩阵和原子迁移率:实验与建模

IF 1.9 3区 材料科学 Q4 CHEMISTRY, PHYSICAL Calphad-computer Coupling of Phase Diagrams and Thermochemistry Pub Date : 2024-11-19 DOI:10.1016/j.calphad.2024.102773
Taibai Fu , Yuling Liu , Huixin Liu , Changfa Du , Shiyi Wen , Yong Du
{"title":"fcc 镍-铁-钼合金中的相互扩散系数矩阵和原子迁移率:实验与建模","authors":"Taibai Fu ,&nbsp;Yuling Liu ,&nbsp;Huixin Liu ,&nbsp;Changfa Du ,&nbsp;Shiyi Wen ,&nbsp;Yong Du","doi":"10.1016/j.calphad.2024.102773","DOIUrl":null,"url":null,"abstract":"<div><div>Accurate diffusivities in fcc Ni–Fe–Mo alloys are of significant importance in designing high-quality magnetic alloys. In this work, totally twelve fcc single-phase diffusion couples are assembled to determine the diffusivities of fcc Ni–Fe–Mo alloys at 1373, 1423 and 1437 K. The diffusivity matrices at the intersection compositions of diffusion paths are determined by the Matano-Kirkaldy method. In addition, the diffusivity matrices along the whole composition profiles of individual diffusion couple and the atomic mobilities of fcc Ni–Fe–Mo alloys are evaluated by the numerical inverse approach incorporated in CALTPP program. The reliability of the obtained atomic mobilities is verified by comparing the predicted diffusion behaviors with the experimental ones. Furthermore, applying the presently obtained atomic mobilities in combination with thermodynamic descriptions, the three-dimensional maps of interdiffusivites, activation energy and frequency-factor planes of fcc Ni–Fe–Mo alloys are constructed to display the composition- and temperature-dependent diffusion properties. The presently obtained diffusivities and atomic mobilities of the Ni–Fe–Mo fcc phase are expected to contribute to high-efficiency Ni–Fe–Mo magnetic alloy design.</div></div>","PeriodicalId":9436,"journal":{"name":"Calphad-computer Coupling of Phase Diagrams and Thermochemistry","volume":"87 ","pages":"Article 102773"},"PeriodicalIF":1.9000,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Interdiffusivity matrices and atomic mobilities in fcc Ni–Fe–Mo alloys: Experiment and modeling\",\"authors\":\"Taibai Fu ,&nbsp;Yuling Liu ,&nbsp;Huixin Liu ,&nbsp;Changfa Du ,&nbsp;Shiyi Wen ,&nbsp;Yong Du\",\"doi\":\"10.1016/j.calphad.2024.102773\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Accurate diffusivities in fcc Ni–Fe–Mo alloys are of significant importance in designing high-quality magnetic alloys. In this work, totally twelve fcc single-phase diffusion couples are assembled to determine the diffusivities of fcc Ni–Fe–Mo alloys at 1373, 1423 and 1437 K. The diffusivity matrices at the intersection compositions of diffusion paths are determined by the Matano-Kirkaldy method. In addition, the diffusivity matrices along the whole composition profiles of individual diffusion couple and the atomic mobilities of fcc Ni–Fe–Mo alloys are evaluated by the numerical inverse approach incorporated in CALTPP program. The reliability of the obtained atomic mobilities is verified by comparing the predicted diffusion behaviors with the experimental ones. Furthermore, applying the presently obtained atomic mobilities in combination with thermodynamic descriptions, the three-dimensional maps of interdiffusivites, activation energy and frequency-factor planes of fcc Ni–Fe–Mo alloys are constructed to display the composition- and temperature-dependent diffusion properties. The presently obtained diffusivities and atomic mobilities of the Ni–Fe–Mo fcc phase are expected to contribute to high-efficiency Ni–Fe–Mo magnetic alloy design.</div></div>\",\"PeriodicalId\":9436,\"journal\":{\"name\":\"Calphad-computer Coupling of Phase Diagrams and Thermochemistry\",\"volume\":\"87 \",\"pages\":\"Article 102773\"},\"PeriodicalIF\":1.9000,\"publicationDate\":\"2024-11-19\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Calphad-computer Coupling of Phase Diagrams and Thermochemistry\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0364591624001159\",\"RegionNum\":3,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Calphad-computer Coupling of Phase Diagrams and Thermochemistry","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0364591624001159","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0

摘要

fcc 镍-铁-钼合金中精确的扩散系数对设计高质量的磁性合金具有重要意义。本研究采用 Matano-Kirkaldy 方法确定了扩散路径交叉成分的扩散系数矩阵。此外,还采用 CALTPP 程序中的数值逆方法评估了沿单个扩散耦合的整个成分剖面的扩散系数矩阵和 fcc 镍-铁-钼合金的原子迁移率。通过将预测的扩散行为与实验行为进行比较,验证了所获得原子迁移率的可靠性。此外,将目前获得的原子迁移率与热力学描述相结合,构建了 fcc 镍-铁-钼合金的扩散间隙、活化能和频率因子平面的三维图,以显示与成分和温度相关的扩散特性。目前获得的镍-铁-钼 fcc 相的扩散率和原子迁移率有望为高效镍-铁-钼磁性合金的设计做出贡献。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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
Interdiffusivity matrices and atomic mobilities in fcc Ni–Fe–Mo alloys: Experiment and modeling
Accurate diffusivities in fcc Ni–Fe–Mo alloys are of significant importance in designing high-quality magnetic alloys. In this work, totally twelve fcc single-phase diffusion couples are assembled to determine the diffusivities of fcc Ni–Fe–Mo alloys at 1373, 1423 and 1437 K. The diffusivity matrices at the intersection compositions of diffusion paths are determined by the Matano-Kirkaldy method. In addition, the diffusivity matrices along the whole composition profiles of individual diffusion couple and the atomic mobilities of fcc Ni–Fe–Mo alloys are evaluated by the numerical inverse approach incorporated in CALTPP program. The reliability of the obtained atomic mobilities is verified by comparing the predicted diffusion behaviors with the experimental ones. Furthermore, applying the presently obtained atomic mobilities in combination with thermodynamic descriptions, the three-dimensional maps of interdiffusivites, activation energy and frequency-factor planes of fcc Ni–Fe–Mo alloys are constructed to display the composition- and temperature-dependent diffusion properties. The presently obtained diffusivities and atomic mobilities of the Ni–Fe–Mo fcc phase are expected to contribute to high-efficiency Ni–Fe–Mo magnetic alloy design.
求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
CiteScore
4.00
自引率
16.70%
发文量
94
审稿时长
2.5 months
期刊介绍: The design of industrial processes requires reliable thermodynamic data. CALPHAD (Computer Coupling of Phase Diagrams and Thermochemistry) aims to promote computational thermodynamics through development of models to represent thermodynamic properties for various phases which permit prediction of properties of multicomponent systems from those of binary and ternary subsystems, critical assessment of data and their incorporation into self-consistent databases, development of software to optimize and derive thermodynamic parameters and the development and use of databanks for calculations to improve understanding of various industrial and technological processes. This work is disseminated through the CALPHAD journal and its annual conference.
期刊最新文献
Thermodynamic properties of calcium antimonates from experiments and first principles Exploration of high-ductility ternary refractory complex concentrated alloys using first-principles calculations and machine learning Interdiffusivity matrices and atomic mobilities in fcc Ni–Fe–Mo alloys: Experiment and modeling The Al2O3-SiO2-“V2O3” phase diagram at 1873 K Experimental investigation and thermodynamic calculation of the Al-Cr-Pd ternary system
×
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