论文标题

磁性凝胶的三维偶极子弹簧模型的弹性特性的密度功能方法

Density functional approach to elastic properties of three-dimensional dipole-spring models for magnetic gels

论文作者

Goh, Segun, Menzel, Andreas M., Wittmann, René, Löwen, Hartmut

论文摘要

磁性凝胶是复合材料,由聚合物基质和嵌入式磁性颗粒组成。这些在机械上彼此耦合,从而产生磁性效应以及对外部磁场响应的可控制的总体弹性。由于其固有的复合材料及其多尺寸的性质,因此桥接不同级别描述的理论框架是必不可少的,对于理解磁凝胶的磁力学特性。在这项研究中,我们将最近开发的密度功能方法从两个空间维度扩展到更现实的三维系统。沿着这些线条,我们将介质表征分辨出磁性颗粒的离散结构,并将其连接到磁凝胶的宏观连续性参数。特别是,我们结合了磁性偶极 - 偶极相互作用的远程性质,并考虑嵌入介质的近似不可压缩性,以及相对于外部磁场破坏旋转对称性的相对旋转。然后,我们在其参考状态下探测模型系统的形状,从而确认了磁性影响对磁颗粒构型和所考虑样品的形状的依赖性。此外,根据我们的介绍方法来计算弹性和旋转系数,我们研究了宏观行为类型如何与介观性质有关。还讨论了对随机粒子配置的实际系统的影响。

Magnetic gels are composite materials, consisting of a polymer matrix and embedded magnetic particles. Those are mechanically coupled to each other, giving rise to the magnetostrictive effects as well as to a controllable overall elasticity responsive to external magnetic fields. Due to their inherent composite and thereby multiscale nature, a theoretical framework bridging different levels of description is indispensable for understanding the magnetomechanical properties of magnetic gels. In this study, we extend a recently developed density functional approach from two spatial dimensions to more realistic three-dimensional systems. Along these lines, we connect a mesoscopic characterization resolving the discrete structure of the magnetic particles, to macroscopic continuum parameters of magnetic gels. In particular, we incorporate the long-range nature of the magnetic dipole-dipole interaction, and consider the approximate incompressibility of the embedding media, and relative rotations with respect to an external magnetic field breaking rotational symmetry. We then probe the shape of the model system in its reference state, confirming the dependence of magnetostrictive effects on the configuration of the magnetic particles and on the shape of the considered sample. Moreover, calculating the elastic and rotational coefficients on the basis of our mesoscopic approach, we examine how the macroscopic types of behavior are related to the mesoscopic properties. Implications for real systems of random particle configurations are also discussed.

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