Thermodynamic modeling of the σ phase was revised according to the three sublattice model developed for the Fe–Cr system (Fe,Cr)₁₀(Fe,Cr)₄(Fe,Cr)₁₆ in the view of simulating thermodynamics and kinetics for duplex stainless steels. The alloying elements Mn, Mo and Ni relevant in duplex steels were added to the σ phase model and their thermodynamic parameters were optimized. As a consequence of the change of thermodynamic model and parameters for the σ phases, alloy phases were also re-optimized. The present work include re-optimization of binaries and ternaries sub-systems in order to build a consistent bottom-up Calphad dataset for the thermokinetic simulation of duplex steels.

考虑到模拟双相不锈钢的热力学和动力学，根据为Fe–Cr系统（Fe，Cr）₁₀（Fe，Cr）₄（Fe，Cr）₁₆开发的三个亚晶格模型修订了σ相的热力学模型。钢。将与双相钢有关的合金元素Mn，Mo和Ni添加到σ相模型中，并优化了它们的热力学参数。由于热力学模型和σ相参数的变化，合金相也得到了重新优化。本工作包括对二元和三元子系统的重新优化，以便为双相钢的热动力学模拟建立一个自下而上的Calphad数据集。