微分离有限扩散模型中的热力学耦合与界面非平衡

IF 1.9 3区 材料科学 Q4 CHEMISTRY, PHYSICAL Calphad-computer Coupling of Phase Diagrams and Thermochemistry Pub Date : 2024-09-24 DOI:10.1016/j.calphad.2024.102744
Christopher A. Hareland, Peter W. Voorhees
{"title":"微分离有限扩散模型中的热力学耦合与界面非平衡","authors":"Christopher A. Hareland,&nbsp;Peter W. Voorhees","doi":"10.1016/j.calphad.2024.102744","DOIUrl":null,"url":null,"abstract":"<div><div>We introduce both CALPHAD coupling and interfacial non-equilibrium to a model of microsegregation that accounts for finite diffusion. The approach can also be used to perform Gulliver–Scheil calculations using a kinetic phase diagram, which would normally involve solving an underdetermined system of equations. The non-equilibrium finite-diffusion model is first applied to the Ag–15wt.%Cu system, where we find that previously reported experimental measurements can be completely described with the full non-linear phase diagram and the choice of appropriate kinetic constitutive parameters, indicating that the effects of finite liquid diffusion remain significant under processing conditions relevant to additive manufacturing. The model is enhanced to account for multiple phases forming from the liquid and then applied to a multicomponent Co-base superalloy, showing that finite liquid diffusion can influence both the compositions and fractions of secondary solid phases.</div></div>","PeriodicalId":9436,"journal":{"name":"Calphad-computer Coupling of Phase Diagrams and Thermochemistry","volume":"87 ","pages":"Article 102744"},"PeriodicalIF":1.9000,"publicationDate":"2024-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Thermodynamic coupling and interfacial non-equilibrium in a finite-diffusion model of microsegregation\",\"authors\":\"Christopher A. Hareland,&nbsp;Peter W. Voorhees\",\"doi\":\"10.1016/j.calphad.2024.102744\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>We introduce both CALPHAD coupling and interfacial non-equilibrium to a model of microsegregation that accounts for finite diffusion. The approach can also be used to perform Gulliver–Scheil calculations using a kinetic phase diagram, which would normally involve solving an underdetermined system of equations. The non-equilibrium finite-diffusion model is first applied to the Ag–15wt.%Cu system, where we find that previously reported experimental measurements can be completely described with the full non-linear phase diagram and the choice of appropriate kinetic constitutive parameters, indicating that the effects of finite liquid diffusion remain significant under processing conditions relevant to additive manufacturing. The model is enhanced to account for multiple phases forming from the liquid and then applied to a multicomponent Co-base superalloy, showing that finite liquid diffusion can influence both the compositions and fractions of secondary solid phases.</div></div>\",\"PeriodicalId\":9436,\"journal\":{\"name\":\"Calphad-computer Coupling of Phase Diagrams and Thermochemistry\",\"volume\":\"87 \",\"pages\":\"Article 102744\"},\"PeriodicalIF\":1.9000,\"publicationDate\":\"2024-09-24\",\"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/S0364591624000865\",\"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/S0364591624000865","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

我们将 CALPHAD 耦合和界面非平衡引入到一个考虑了有限扩散的微分离模型中。该方法还可用于使用动力学相图进行 Gulliver-Scheil 计算,这通常需要求解一个未定方程组。我们首先将非平衡有限扩散模型应用于 Ag-15wt.%Cu 体系,发现之前报告的实验测量结果完全可以用完整的非线性相图和选择适当的动力学构成参数来描述,这表明在与增材制造相关的加工条件下,有限液体扩散的影响仍然很大。对该模型进行了改进,以考虑从液体中形成的多相,然后将其应用于多组分钴基超级合金,结果表明有限液体扩散会影响二次固相的成分和比例。
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
Thermodynamic coupling and interfacial non-equilibrium in a finite-diffusion model of microsegregation
We introduce both CALPHAD coupling and interfacial non-equilibrium to a model of microsegregation that accounts for finite diffusion. The approach can also be used to perform Gulliver–Scheil calculations using a kinetic phase diagram, which would normally involve solving an underdetermined system of equations. The non-equilibrium finite-diffusion model is first applied to the Ag–15wt.%Cu system, where we find that previously reported experimental measurements can be completely described with the full non-linear phase diagram and the choice of appropriate kinetic constitutive parameters, indicating that the effects of finite liquid diffusion remain significant under processing conditions relevant to additive manufacturing. The model is enhanced to account for multiple phases forming from the liquid and then applied to a multicomponent Co-base superalloy, showing that finite liquid diffusion can influence both the compositions and fractions of secondary solid phases.
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
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 High temperature phase relations and structure determination of solid solutions in the ternary Nd-Dy-Cu 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