Thermodynamic coupling and interfacial non-equilibrium in a finite-diffusion model of microsegregation

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

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引用次数: 0

Abstract

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.

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微分离有限扩散模型中的热力学耦合与界面非平衡

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。

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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.