Atomic mobilities, diffusion coefficients, and kinetic coefficients in Ti-rich Ti–Mo–Nb system

IF 1.9 3区 材料科学 Q4 CHEMISTRY, PHYSICAL Calphad-computer Coupling of Phase Diagrams and Thermochemistry Pub Date : 2023-12-22 DOI:10.1016/j.calphad.2023.102654
Weimin Chen , Lei Qu , Yongnan Xiong , Xing Luo , Fuxing Yin
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Abstract

Diffusion coefficient is an important physical property to control the microstructure, thus the establishment of atomic mobility databank for Ti-based alloy systems is vital to the design of novel Ti alloys. In the present work, ternary Ti–Mo–Nb diffusion couples within the single bcc phase were prepared and measured after annealing at 1273 K for 25 h, and interdiffusion coefficients of bcc Ti–Mo–Nb alloys at 1273 K were determined from the experimental composition profiles by using Matano–Kirkaldy method. Subsequently, the atomic mobility parameters of bcc Ti–Mo–Nb system under the CALculation of PHAse Diagrams (CALPHAD) framework were assessed by using recently proposed diffusion models, which were verified by the comparisons between the experimental interdiffusion coefficients/composition profiles and the model-predicted results. Moreover, diffusion models were carefully discussed for the ternary assessment. Finally, relationships among atomic mobility, kinetic coefficient, and diffusion coefficients were discussed and demonstrated via ternary contour maps. The present work contributes to the development of diffusion databank for computational design of biomedical Ti alloys.

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富钛钼铌体系中的原子迁移率、扩散系数和动力学系数
扩散系数是控制微观结构的重要物理特性,因此建立钛基合金体系的原子迁移率数据库对新型钛合金的设计至关重要。在本研究中,制备了单一 bcc 相中的三元钛-钼-铌扩散对,并在 1273 K 退火 25 小时后进行了测量,利用 Matano-Kirkaldy 方法根据实验成分曲线确定了 1273 K 下 bcc 钛-钼-铌合金的相互扩散系数。随后,利用最新提出的扩散模型,在CALculation of PHAse Diagrams (CALPHAD)框架下评估了bcc钛-钼-铌体系的原子迁移率参数,并通过比较实验相互扩散系数/成分剖面和模型预测结果验证了这些参数。此外,还仔细讨论了三元评估的扩散模型。最后,讨论了原子迁移率、动力学系数和扩散系数之间的关系,并通过三元等值线图进行了展示。本研究有助于为生物医学钛合金的计算设计开发扩散数据库。
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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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