Computer simulations and theory of hybrid materials composed of ferrocolloids in liquid-crystalline hosts

液晶基质中铁胶体混合材料的计算机模拟和理论

• 批准号: 238055815
• 负责人: Professorin Dr. Sabine Klapp
• 金额: --
• 依托单位: Institut für Theoretische Physik
• 依托单位国家: 德国
• 项目类别: Priority Programmes
• 财政年份: 2013
• 资助国家: 德国
• 起止时间: 2012-12-31 至 2020-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/238055815?language=en
• 关键词: Computer; simulations; theory; hybrid; materials

The present project focuses on soft hybrid materials consisting of ferromagnetic nanoparticles embedded in an orientationally ordered liquid-crystalline matrix. Using methods from statistical physics, we aim to explore the interplay between the microscopic (static and dynamic) behavior of the ferromagnetic and matrix particles, on the one hand, and the macroscopic material properties, on the other hand. Whereas the first two funding periods were concerned with the structure formation of systems with spherical magnetic particles in thermal equilibrium, we now aim at investigating two new directions: i) impact of a planar shear flow (with emphasis on the magnetoviscous effect) and ii) systems with non-spherical magnetic particles. These investigations will be done in close exchange with experimental projects in the priority programme. Our investigations will be mainly based on particle-based computer simulations. In addition, we plan to develop a mesoscopic approach where coarse-grained equations of motion for the relevant order parameters are combined with classical density functional theory. In this way we aim to establish a scale-bridging theoretical approach towards magnetic liquid-crystalline hybrids.

本项目的重点是软混合材料的铁磁纳米粒子嵌入在取向有序的液晶矩阵。使用统计物理学的方法，我们的目标是探索铁磁和基质颗粒的微观（静态和动态）行为与宏观材料特性之间的相互作用。前两个资助期关注的是热平衡下球形磁性颗粒系统的结构形成，现在我们的目标是研究两个新方向：i）平面剪切流的影响（重点是磁粘效应）和ii）非球形磁性颗粒系统。这些调查将与优先方案中的实验项目密切交流。我们的研究将主要基于基于粒子的计算机模拟。此外，我们计划开发一种介观方法，其中相关序参数的粗粒度运动方程与经典密度泛函理论相结合。通过这种方式，我们的目标是建立一个规模桥接的理论方法对磁性液晶杂化。