铁凝胶和磁性弹性体的尺度桥接描述
Towards a scale-bridging description of ferrogels and magnetic elastomers
摘要：
铁凝胶和磁性弹性体与其他材料的区别在于它们在外部磁场的影响下可逆地改变形状和机械性能的独特能力。在这些杰出的材料的研究中的一个关键问题是介观磁性颗粒和它们嵌入的聚合物基体之间的相互作用。在这里，我们分析了两个这样的颗粒之间的相互作用连接的聚合物链，代表颗粒交联的磁性凝胶的情况。为了使第一步对材料的尺度桥接描述，介观构型变化的有效电位指定使用从模拟获得的微观输入。此外，磁相互作用的存在下的概率分布和系统的热力学量的影响被认为是。由此产生的介观模型势可以用来经济地模拟粒子长度尺度上的系统。这第一个粗粒化的步骤是重要的，以实现简化，但现实的规模桥接模型，这些有前途的材料。
英文摘要：
Ferrogels and magnetic elastomers differentiate themselves from other materials by their unique capability of reversibly changing shape and mechanical properties under the influence of an external magnetic field. A crucial issue in the study of these outstanding materials is the interaction between the mesoscopic magnetic particles and the polymer matrix in which they are embedded. Here we analyze interactions between two such particles connected by a polymer chain, a situation representative for particle-crosslinked magnetic gels. To make a first step towards a scale-bridging description of the materials, effective potentials for mesoscopic configurational changes are specified using microscopic input obtained from simulations. Furthermore, the impact of the presence of magnetic interactions on the probability distributions and thermodynamic quantities of the system is considered. The resulting mesoscopic model potentials can be used to economically model the system on the particle length scales. This first coarse-graining step is important to realize simplified but realistic scale-bridging models for these promising materials.
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