Semi-Mechanistic Modelling of Fracture Mechanisms of Engineered Artificial Minerals

复杂高科技产品的重要性正在迅速增加，例如在储能以及传感器技术、生命科学和人类健康领域。材料复合材料和功能集成组件的相关复杂性日益增加，对封闭材料循环提出了更大的挑战，因此，使有价值的原材料永久可用，例如在电动汽车中。在金属材料和稀土领域尤其如此，它们通常以炉渣的形式在火法冶金处理中积累，其材料成分不明确，分布广泛。不同的材料组成、相相互作用、晶体和颗粒大小和形态对单个材料相的选择性粉碎和随后的分离提出了巨大的挑战。由于EnAM颗粒的复杂组成，过去几十年开发的用于描述天然矿物和均质合成材料的断裂机制的模型方法以及单个过程单元模型已不再足够。这样做的逻辑结果是，必须开发新的断裂和强度模型，特别是针对多组分EnAM颗粒，这取决于复杂的相组成和结构参数（例如晶体和颗粒尺寸以及颗粒形态）。这项任务和相关的详细结构阐明和确定的EnAM颗粒的机械载荷的挑战是由这个提议的项目解决的。具体而言，将在离散元模拟环境（DEM）和流程图模拟（DynSim，第二个资助期）中确定并实现破碎概率率模型、多元破碎函数模型以及单个颗粒的力学变形行为和强度模型，以预测不同的粉碎过程。

The importance of complex high-tech products, for example in the fields of energy storage as well as sensor technology, life science and human health, is increasing rapidly. The associated increasing complexity of material composites and function-integrated components poses even greater challenges regarding closed material cycles and, thus, making valuable raw materials permanently available, e.g. in electro mobility. This is especially true in the area of metallic materials and rare earths, which often accumulate within a pyrometallurgical treatment in the form of slags with an unclear, widely distributed material composition. The different material compositions, phase interactions, crystallite and particle sizes and morphologies pose great challenges for the selective comminution and subsequent separation of the individual material phases. Due to the complex composition of the EnAM particles, the model approaches developed in the last decades for the description of the breakage mechanisms of natural minerals and homogeneous synthetic materials as well as the individual process unit models are no longer sufficient. The logical consequence of this is that new breakage and strength models have to be developed especially for multi-component EnAM particles depending on the complex phase composition and structural parameters (e.g. crystallite and particle sizes and particle morphologies). This task and the associated challenge of detailed structure elucidation and defined mechanical loading of the EnAM particles is addressed by this proposed project. In detail, models for the breakage probability rate, respectively, and multi-variate breakage function as well as mechanical deformation behavior and strength of the individual particles are to be determined and implemented in a discrete element simulation environment (DEM) and flowsheet simulation (DynSim, in the second funding period) to predict different comminution processes.