Diffusion coefficients and atomic mobilities in the BCC phase of the Al–Nb–V system

IF 1.9 3区 材料科学 Q4 CHEMISTRY, PHYSICAL Calphad-computer Coupling of Phase Diagrams and Thermochemistry Pub Date : 2024-04-30 DOI:10.1016/j.calphad.2024.102699
Karoline Elerbrock Borowski , Vitória de Melo Silveira , Nabil Chaia , Chuangye Wang , Ji-Cheng Zhao , Carlos Angelo Nunes , Gilberto Carvalho Coelho
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Abstract

Diffusion coefficients in the BCC phase of the Al–Nb–V ternary system are studied for the first time, including an assessment of the atomic mobilities. Ternary interdiffusion coefficients are obtained from the intersecting diffusion paths of several sets of diffusion couples that are annealed at both 1100 °C and 1200 °C. Existing experimental data from the pertinent binary systems are also employed for the assessments of atomic mobilities using the 1-parameter Z-Z-Z binary diffusion coefficient model developed by Zhong et al [1]. Interdiffusion coefficients in the BCC region of the Al–V system are also extracted through a forward-simulation analysis and incorporated into the mobility modeling. A complete description of diffusion in the BCC phase of the Al–Nb–V system is presented following the Binary and Cross-Binary Parameters Only (BCBPO) model developed by Zhong and Zhao [2]. Our data will be valuable input to diffusion-related simulation of refractory high entropy alloys containing aluminum.

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Al-Nb-V 系统 BCC 相中的扩散系数和原子迁移率
首次研究了 Al-Nb-V 三元体系 BCC 相中的扩散系数,包括对原子迁移率的评估。三元相互扩散系数是从在 1100 °C 和 1200 °C 下退火的几组扩散偶的相交扩散路径中获得的。在评估原子迁移率时,还采用了相关二元体系的现有实验数据,并使用了 Zhong 等人[1] 开发的 1 参数 Z-Z-Z 二元扩散系数模型。此外,还通过正向模拟分析提取了 Al-V 体系 BCC 区域的相互扩散系数,并将其纳入迁移率模型中。根据 Zhong 和 Zhao [2] 开发的二元和交叉二元参数模型 (BCBPO),对 Al-Nb-V 体系 BCC 相中的扩散进行了完整描述。我们的数据将为含铝难熔高熵合金的扩散相关模拟提供有价值的信息。
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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.
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