Interdiffusion coefficients and atomic mobilities in the bcc phase of the Ti-Fe-Mo system

IF 1.9 3区材料科学 Q4 CHEMISTRY, PHYSICAL

Calphad-computer Coupling of Phase Diagrams and Thermochemistry Pub Date : 2025-04-15 DOI:10.1016/j.calphad.2025.102829

Hongyu Zhang , Zhe Yuan , Fali Liu , Weimin Bai , Yuan Yuan , Maohua Rong , Jiang Wang , Ligang Zhang , Libin Liu

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引用次数: 0

Abstract

Establishing the atomic mobility database for the Ti-Fe-Mo system is essential for analyzing and simulating diffusion-controlled processes in novel low-cost biomedical titanium alloys. In this study, twelve sets of diffusion couples were prepared at annealing temperatures of 1273 K, 1323 K, and 1373 K, with annealing time of 24 h, 10 h, and 6 h, respectively. The compositional distance profiles at the diffusion couple interfaces were measured using an Electro Probe Micro-Analysis (EPMA). Numerical inverse methods were applied to calculate diffusion coefficients in a high-throughput method, complemented by the Matano-Kirkaldy approach to determine diffusion coefficients at diffusion couple intersections. The results from both methods demonstrated strong agreement. Based on accurate thermodynamic descriptions and diffusion coefficients, the kinetic parameters of the Ti-Fe-Mo sub-binary systems were re-evaluated. Using HitDIC software in conjunction with compositional distance profiles, the atomic mobility database for this system was ultimately established. Additionally, the frequency factor and activation energy, vary with composition, can be derived using the Arrhenius equation.

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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.