在申请人已有的工作基础上，本项目将两相流格子玻尔兹曼方法( LBM)、多相元胞自动机( MCA)和热力学相平衡计算PanEngine相耦合，建立具有独创性的多场（浓度场、温度场、流场和压力场）、多相（气相、液相、枝晶和共晶）和多元（二元、三元合金和气体组元）的LBM-MCA-PanEngine耦合模型以及相应的算法。此外，建立MCA-FDM-PanEngine耦合模型。所建立的模型能对二元和三元合金在凝固过程中枝晶和共晶生长、气泡形成和运动的演化规律进行定性和定量的数值模拟。通过模拟研究，深入理解二元和三元合金凝固过程中的流体流动、溶质和热的传输与金属熔体、枝晶和共晶、气泡多相共存相变之间相互作用的物理机制。为预测和控制显微气孔和显微偏析等凝固缺陷、以及藕状孔隙结构多孔材料的显微组织提供科学依据。

Based on the applicant's previous work, this project will develop a novel coupled LBM-MCA-PanEngine and relevant algorithm, by combining the two-phase lattice Boltzmann method (LBM), the multi-phase cellular automaton (MCA), and thermodynamic phase equilibrium calculation PanEngine. The model includes multi-field (concentration, temperature, fluid flow, and pressure), multi-phase (gas, liquid, dendrite, and eutectic), and multi-component (binary alloy, ternary alloy, and gas element). In addition, an MCA-FDM-Panengine model will also be developed. In the MCA-FDM-PanEngine model, the necleation and growth of dendrites, eutectics, and gas pores are simulated using the MCA. The transport of solutes and gas element is calculated by the finite difference method (FDM), and the thermodynamic phase equilibrium is calculated using PanEngine. The developed models will be able to perform the qualitative and quantitative simulations of dendritic and eutectic growth, gas bubble formation and evolution during solidifcation of binary and ternary alloys. The simulations will provide an insight into the interaction mechanisms of fluid flow, thermal and solutal transport, and phase transformation in a co-existing system of melt, dendrite, eutectic, and gas bubble. It will give some scientific basis for the prediction and control of microporosity and microsegregation, as well as the solidification microstructures of lotus-type porous materials.