Quantum-mechanic design and evaluation of precious metal coatings for the reduction of glass adhesions during an isothermal molding process

在精密玻璃成型的等温玻璃成型过程中，镀膜成型工具受到玻璃和镀膜之间的一组动态应力和摩擦载荷的影响。因此，贵金属涂层主要表现为玻璃粘附性，其形成原因目前尚不清楚。因此，目前还没有通过有目的地调整涂层系统来减少磨损现象的基于知识的方法。目前应用的启发式方法是时间、材料和成本密集型的，并且在减少玻璃粘附性方面没有取得成功。然而，涂层体系的附着力和顶层的调整分别对涂层的稳定性和模具的标准寿命有决定性的影响。基于量子力学的涂层与聚合物界面的模拟为评估玻璃在不同涂层上的结合强度提供了一种很有前途的方法。因此，拟议项目的目的是对贵金属涂层在典型工艺条件下玻璃附着的原因进行基础调查和模拟模拟。在该项目中，常用玻璃(B270；分销商：肖特)的玻璃粘合的基本机制将通过原子尺度上相互作用的量子力学描述来确定。根据这些相互作用的描述，可以预测涂层成分的替代品。涂层替代品，即模型的预测，将通过实验进行评估。

During the isothermal glass molding process of Precision Glass Molding, coated molding tools are exposed to a dynamic set of stress and frictional loads between glass and coating. As a result, precious metal coatings predominantly applied show characteristic glass adhesions, whose reasons for the formation are currently not understood. Hence, a knowledge-based approach for the reduction of wear phenomena by purposeful adjustment of the coating system is currently not available. The heuristic approaches currently applied are time, material and cost intensive and did not lead to successes regarding the reduction of glass adhesions. However, it is known, that the adjustment of adhesion and top layer of the coating system has a decisive influence on the stability of the coating, and on the standard life time of the molding tools, respectively. The quantum mechanics-based modeling of the interface between coating and polymers provided a promising approach for the assessment of the strength of glass adhesion on different coatings. The aim of the proposed project is therefore the fundamental investigation simulation-based modeling of the reasons for glass adhesions on precious metal coatings under typical process conditions. Within the project, fundamental mechanisms for glass adhesions for a commonly used glass (B270; distributor: Schott) are to be identified by by a quanum-mechanical description of the interactions on an atomic scale. Based on these interaction descriptions, coating composition alternatives are to be predicted. Coating alternatives, i.e. predictions of the model, are to be evaluated experimentally.