Investigation to establish modelling and predictive methods for microstructure formation during freeze casting

在冰水冻结相场模型的基础上，通过构造合适的大化学势将纳米级陶瓷颗粒和微米级冰片的微观结构演化过程描述为二元凝固体系，模拟了纳米陶瓷颗粒和微米级冰片的多尺度微观结构演化过程。多尺度模拟的挑战将通过采用均化方法来解决，在均化方法中，热力学能量被构造来模拟颗粒浓度。在大规模的三维模拟中，我们打算研究冷冻铸造过程中微观组织的形成机制，并建立工艺/材料条件(凝固速度、颗粒尺寸、颗粒分布、固相分数)与从平面前沿、片层和各向同性组织的形态转变之间的关联。模拟结果将通过第一个资助期以来的可用实验进行比较和验证。模拟研究允许推导加工-显微组织关联函数，并在广泛的实验上难以获得的参数空间内预测形貌类型。

Based on phase-field modelling of ice-water freezing, we aim to simulate the multiscale microstructure evolution of nanoscale ceramic particles and microscale ice lamellay by formulating appropriate great chemical potentials to describe the processes as binary solidification system. The challenge of multiscale modelling will be solved by employing a homogenization approach where thermodynamic energies are constructed to model the particle concentration. In large-scale 3D simulation, we intend to investigate the mechanisms of microstructure formation during freeze casting and to establish correlations between processing/material conditions (solidification velocity, particle sizes, particle distributions, solid phase fraction) and the morphology transitions from planar front, lamellae and isotropic structures. The simulation results are to be compared and validated by available experiments from the first funding period. The simulation studies allow to derive processing-microstructure correlation functions and to predict morphology types within a broad range of experimentally, hardly accessible parameter space.