Thermodynamic Prediction of the Impact of Carbon on Bainite Formation, Including the BCT Transformation

IF 1.5 4区 材料科学 Q4 CHEMISTRY, PHYSICAL Journal of Phase Equilibria and Diffusion Pub Date : 2023-12-06 DOI:10.1007/s11669-023-01067-7
Aurélie Jacob, Bernd Schuscha, Philipp Retzl, Yao V. Shan, Ernst Kozeschnik
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Abstract

There exists strong experimental evidence that bainitic ferrite is formed as a supersaturated solid solution of carbon within a tetragonally-distorted body-centered iron structure (BCT), where carbon preferentially occupies the octahedral site. Despite this, the BCT structure has not yet been accounted for in the computational analysis of the thermodynamics of the bainite transformation. In the present work, we propose to calculate the onset of the bainite transformation based on the T0′ concept, including the effect of Zener-ordering. This mechanism stabilizes the BCT structure, makes it energetically more favorable than BCC and leads to a significantly higher solubility of C compared Fe-BCC. The computational predictions are made based on a recent reassessment of low-T Gibbs energies and finally compared to experiments. The important role of C is emphasized, with the Fe-C system used as a showcase.

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碳对贝氏体形成影响的热力学预测,包括BCT相变
有强有力的实验证据表明,贝氏体铁素体是在四边形扭曲的体心铁结构(BCT)中以碳的过饱和固溶体形式形成的,碳优先占据八面体位置。尽管如此,BCT结构尚未在贝氏体相变的热力学计算分析中得到解释。在本工作中,我们提出基于T0 '概念计算贝氏体转变的开始,包括齐纳有序的影响。该机制稳定了BCT结构,使其在能量上优于BCC,并使C的溶解度明显高于Fe-BCC。计算预测是基于最近对低t吉布斯能量的重新评估,最后与实验进行比较。本文以Fe-C系统为例,强调了C语言的重要作用。
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来源期刊
Journal of Phase Equilibria and Diffusion
Journal of Phase Equilibria and Diffusion 工程技术-材料科学:综合
CiteScore
2.50
自引率
7.10%
发文量
70
审稿时长
1 months
期刊介绍: The most trusted journal for phase equilibria and thermodynamic research, ASM International''s Journal of Phase Equilibria and Diffusion features critical phase diagram evaluations on scientifically and industrially important alloy systems, authored by international experts. The Journal of Phase Equilibria and Diffusion is critically reviewed and contains basic and applied research results, a survey of current literature and other pertinent articles. The journal covers the significance of diagrams as well as new research techniques, equipment, data evaluation, nomenclature, presentation and other aspects of phase diagram preparation and use. Content includes information on phenomena such as kinetic control of equilibrium, coherency effects, impurity effects, and thermodynamic and crystallographic characteristics. The journal updates systems previously published in the Bulletin of Alloy Phase Diagrams as new data are discovered.
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