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Equilibrium Versus Paraequilibrium Precipitation of Cementite in Ternary Alloys: Thermodynamic and Kinetic Interpretations

机译:均衡与三元合金中渗碳物的均衡与静脉凝固沉淀:热力学和动力学解释

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The precipitation of cementite on decomposition of austenite is examined by an edgewise layer growth model of the carbide in Fe-1.2C wt% steels. The interface boundary can migrate into the supersaturated matrix isothermally at 400-600 A degrees C, similar to tempering. The present paper thus explores precipitation mechanisms by two different kinetics. Intitially, an equilibrium growth, by the diffusional transport of atoms is simulated with the Dictra package accessing thermodynamic parameters from Thermo-calc. An extremely slow rate for the growth of the carbide platelet seems to be implausible due to the presence of the ternary [M = Mn, Si, Al] of 2 wt%. To overcome this, the investigation then finds an alternative, bringing diffusion constraints of the substitutional atoms under consideration in a paraequilibrium growth study. The SGTE database of the Thermo-calc however lacks paraequilibrium composition of Al in the carbide, thus Thermo-calc cannot be used thoroughly for this study. A first-principles calculation therefore is necessary which in turn evaluates the time-lag in equilibrium versus paraequilibrium growth kinetics. It reveals that the paraequilibrium precipitation of cementite is decisive due to Si (or Al) as the ternary, whereas, in the case of manganese steel, an opposite trend can be seen that the equilibrium partition of Mn reduces the Gibbs free energy during the interface study.
机译:通过Fe-1.2C wt%钢中碳化物的方丝层生长模型,研究了奥氏体分解时渗碳体的析出。界面边界可以在400-600°C下等温迁移到过饱和基体中,类似于回火。因此,本文通过两种不同的动力学来探索沉淀机理。最初,通过原子扩散传输的平衡生长是通过Dictra软件包从Thermo-calc访问热力学参数来模拟的。由于存在2 wt%的三元[M=Mn,Si,Al],碳化物片的生长速度极慢似乎是不可信的。为了克服这一点,研究人员找到了另一种选择,在准平衡生长研究中考虑替代原子的扩散约束。然而,热计算的SGTE数据库缺乏碳化物中铝的准平衡成分,因此热计算不能完全用于本研究。因此,有必要进行第一性原理计算,进而评估平衡与准平衡生长动力学的时滞。这表明,由于Si(或Al)为三元,渗碳体的准平衡沉淀是决定性的,而在锰钢的情况下,可以看到相反的趋势,即在界面研究期间,Mn的平衡分配降低了吉布斯自由能。

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