Phase-field modeling of interdiffusion between dissimilar Fe-Cr-Ni alloys during non-isothermal hot isostatic pressing

IF 3.1 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Computational Materials Science Pub Date : 2024-09-12 DOI:10.1016/j.commatsci.2024.113357
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Abstract

Powder metallurgy hot isostatic pressing (PM-HIP) has emerged as a promising alternative to welding for joining dissimilar metals. During HIP, interfacial bonding is mediated by solid state diffusion. The interdiffusion zone across the interface depends on processing conditions, calling for the need for accurate numerical tools capable of simulating interdiffusion and possible phase transformation in order to optimize processing parameters. Here, a phase-field (PF) model based on CALPHAD-based free energy functionals is developed to simulate the interdiffusion and phase evolution between dissimilar Fe–Cr–Ni based steels undergoing HIP and is demonstrated using the interface between 316L and SA508 steels. To overcome the numerical challenges caused by the singular magnetic and entropy terms in the CALPHAD free energy models in the Fe–Cr-Ni system, polynomial functions are fitted with temperature dependent coefficients represented by Fourier series to accurately describe the phase stability of both fcc and bcc phases in the composition and temperature space. This enables simulations of non-isothermal HIP cycles. Diffusivity data from commercial software and literature are taken to parameterize the kinetic parameters. A discrete nucleation model is incorporated for possible phase transformation. The modified thermodynamic models are validated against previous experiments at 923 K and 1273 K. The interdiffusion kinetics are benchmarked against new HIP experiments joining powder and bulk 316L to bulk SA508 with three different HIP cycles. The good agreement between simulations and experiments on both phase stability and interdiffusion indicate that the model is suitable for simulating interdiffusion between Fe–Cr–Ni alloys during HIP cycles. It is also found that using powder and bulk 316L gives similar interdiffusion profiles at elevated temperature when a dense interface forms during HIP.

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非等温热等静压过程中异种铁-铬-镍合金间相互扩散的相场建模
粉末冶金热等静压(PM-HIP)已成为焊接异种金属的一种很有前途的替代方法。在热等静压过程中,界面结合是通过固态扩散实现的。界面上的相互扩散区取决于加工条件,因此需要精确的数值工具来模拟相互扩散和可能的相变,以优化加工参数。在此,我们基于基于 CALPHAD 的自由能函数开发了一个相场 (PF) 模型,用于模拟正在进行 HIP 的不同铁-铬-镍基钢之间的相互扩散和相变,并使用 316L 和 SA508 钢之间的界面进行了演示。为了克服铁-铬-镍体系中 CALPHAD 自由能模型中的奇异磁性和熵项所带来的数值挑战,使用傅里叶级数表示的温度相关系数拟合多项式函数,以准确描述成分和温度空间中 fcc 和 bcc 相的相稳定性。这样就可以模拟非等温 HIP 循环。从商业软件和文献中获取的扩散率数据被用于动力学参数的参数化。针对可能发生的相变,加入了离散成核模型。修改后的热力学模型与之前在 923 K 和 1273 K 下进行的实验进行了验证。模拟与实验在相稳定性和相互扩散方面的良好一致性表明,该模型适用于模拟 HIP 循环过程中铁-铬-镍合金之间的相互扩散。研究还发现,当 HIP 期间形成致密界面时,使用粉末和块体 316L 可在高温下得到相似的相互扩散曲线。
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来源期刊
Computational Materials Science
Computational Materials Science 工程技术-材料科学:综合
CiteScore
6.50
自引率
6.10%
发文量
665
审稿时长
26 days
期刊介绍: The goal of Computational Materials Science is to report on results that provide new or unique insights into, or significantly expand our understanding of, the properties of materials or phenomena associated with their design, synthesis, processing, characterization, and utilization. To be relevant to the journal, the results should be applied or applicable to specific material systems that are discussed within the submission.
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