Numerical Simulation of High-Temperature Steel Oxidation by Means of the Cellular Automata Approach: Model Development and Experimental Verification

该项目旨在开发一种基于元胞自动机方法的仿真软件，该软件可以预测和解释蒸汽发电厂高温铬钢的氧化物形成。结合CALPHAD方法，该软件将能够预测不同气体组成的初始金属表面上下不同化合物的形成和生长以及解离。将对具有不同微观结构特征的系统进行模拟，以便将化合物的形成和生长过程作为晶粒尺寸和形状的函数进行研究。在开发物理模型和仿真软件的同时，还计划进行补充实验研究，以提供输入数据并优化/验证建模概念。虽然所提出的研究的主要目的是集中在铬钢的氧化行为，但模拟软件可以用于研究其他合金的腐蚀和氧化，只需进行少量修改。

The project aims at the development of a simulation software based on the cellular automata method, which can predict and explain the oxide formation on high-temperature chromium steels in steam power plants. In combination with the CALPHAD approach, the software will be able to predict both, the formation and growth and the dissociation of different compounds below and above the initial metal surface for different gas compositions. Simulations will be performed for systems with different microstructural features so that the process of compound formation and growth can be studied as a function of the grain sizes and shapes. Parallel to the development of the physical model and the simulation software, complementary experimental studies are scheduled that are necessary to provide input data and to optimize/verify the modeling concept. Although the main aim of the proposed research is focused on the oxidation behavior of chromium steels, the simulation software can be employed to investigate the corrosion and oxidation of other alloys with minor modifications.