The Influence of Electric and Magnetic Fields on Microstructure in Multiferroic Composite Materials - a Phase-Field-Crystal Approach

电场和磁场对多铁复合材料微观结构的影响 - 相场晶体方法

• 批准号: 318613364
• 负责人: Professor Dr. Axel Voigt
• 金额: --
• 依托单位: Professur für Wissenschaftliches Rechnen und Angewandte Mathematik
• 依托单位国家: 德国
• 项目类别: Priority Programmes
• 资助国家: 德国
• 项目状态: 未结题
• 来源: https://gepris.dfg.de/gepris/projekt/318613364?language=en
• 关键词: Influence; Electric; Magnetic; Fields; Microstructure

The ability to use external electric and magnetic fields to influence the microstructure in polycrystalline materials has potential applications in microstructural engineering. To explore this potential and to understand the complex interactions between electromagnetic fields and solid-state matter transport we consider a phase-field-crystal (PFC) model that captures the basic physics of magneto- and electrocrystalline interactions for multiferroic composite materials. In the first founding period we have concentrated on two aspects: first the influence of magnetic fields in the PFC model, to understand the basic phenomena and second a coarse graining of the PFC model towards an amplitude expansion (APFC) model to enable 3D simulations. We will bring both approaches together and add additional features step by step until we arrive at a multiferroic composite (A)PFC model. Together with efficient and scalable numerical algorithms this will allow 2D and 3D simulations, which will be used to examine the role of external electric and magnetic fields on the evolution of defect structures and grain boundaries, on diffusion time scales. Large scale simulations in 2D and 3D will also allow to obtain statistical data on grain growth under the influence of external fields and to validate with experimental data, e.g., thin film iron samples analyzed in other projects of the SPP1959.

利用外部电场和磁场影响多晶材料微观结构的能力在微观结构工程中具有潜在的应用。为了探索这种潜力并了解电磁场和固态物质输运之间的复杂相互作用，我们考虑使用相场晶体（PFC）模型，该模型捕获多铁复合材料的磁晶和电晶相互作用的基本物理原理。在第一个创建时期，我们主要关注两个方面：首先是 PFC 模型中磁场的影响，以了解基本现象；其次是 PFC 模型的粗粒度化，转向振幅扩展 (APFC) 模型以实现 3D 模拟。我们将把这两种方法结合在一起，并逐步添加额外的功能，直到得到多铁性复合 (A)PFC 模型。与高效且可扩展的数值算法相结合，这将允许 2D 和 3D 模拟，用于检查外部电场和磁场在扩散时间尺度上对缺陷结构和晶界演化的作用。 2D 和 3D 大规模模拟还可以获得外部场影响下晶粒生长的统计数据，并用实验数据进行验证，例如在 SPP1959 的其他项目中分析的薄膜铁样品。