Experimental determination and high-throughput calculation of the interdiffusion coefficient matrix and atomic mobility in Ag-rich fcc Ag–Sn–Zn alloys

IF 1.9 3区材料科学 Q4 CHEMISTRY, PHYSICAL

Calphad-computer Coupling of Phase Diagrams and Thermochemistry Pub Date : 2023-11-11 DOI:10.1016/j.calphad.2023.102632

Yafei Zhao , Xiaodong Zhu , Huixia Xu , Nan Li , Qin Li , Jing Zhong , Ning Ding , Long Liu , Kaiming Cheng , Jixue Zhou , Xitao Wang , Lijun Zhang

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引用次数: 0

Abstract

In this paper, 10 groups of ternary Ag–Sn–Zn diffusion couples were prepared under 873, 973 and 1073 K within the fcc single-phase region. The element distribution across the diffusional interface was measured by EPMA, and a high-throughput determination of atomic mobilities in Ag-rich fcc Ag–Sn–Zn alloys was performed by using HitDIC (High-Throughput Determination of Interdiffusion Coefficients, https://hitdic.com/) software in the framework of the numerical inverse method. A self-consistent set of atomic mobility parameters was obtained. Reliability of the evaluated atomic mobility parameters were further verified by reasonably reproducing the experimental composition profiles. Insight into the composition- and temperature-dependence of various diffusion properties in fcc Ag–Sn–Zn alloy were subsequently retrieved and discussed. Furthermore, through the related Arrhenius information, the diffusion frequency factors and diffusion activity energies within the corresponding temperature and the composition range were obtained.

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富银fcc Ag-Sn-Zn合金中互扩散系数、基体和原子迁移率的实验测定与高通量计算

本文在fcc单相区873、973、1073 K条件下制备了10组Ag-Sn-Zn三元扩散偶。利用EPMA测量了扩散界面上的元素分布，并在数值反演的框架下，利用HitDIC (high-throughput determination of Interdiffusion Coefficients, https://hitdic.com/)软件对富ag fcc Ag-Sn-Zn合金中的原子迁移率进行了高通量测定。得到了一组自洽的原子迁移率参数。通过合理地再现实验组成曲线，进一步验证了所评估的原子迁移率参数的可靠性。随后对fcc Ag-Sn-Zn合金中各种扩散特性的成分和温度依赖性进行了检索和讨论。通过相关Arrhenius信息，得到了相应温度和组成范围内的扩散频率因子和扩散活化能。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Calphad-computer Coupling of Phase Diagrams and Thermochemistry 化学-热力学

CiteScore

4.00

自引率

16.70%

发文量

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.