We describe a modeling approach to the calculation of dynamic moduli of filled elastomers based on filler morphologies derived from experimental interface tensions of the material’s components. A Monte Carlo morphology generator is used to build model compounds on the micrometer scale. Subsequently, the Monte Carlo morphologies are mapped onto a topologically identical bead-spring model, allowing to compute the amplitude and frequency dependence of the dynamic moduli during cyclic deformations. The combination of a Monte Carlo approach to filler flocculation with a finite element-like force equilibrium model ties the experimental surface tensions, characterizing the individual components, to the dynamic behavior of the macroscopic material. Here, we discuss the model and its parameterization using the example of a filled nanocomposite with two components. The predictive capabilities of the model are illustrated in terms of storage modulus and tan δ, including their dependence on strain frequency and filler concentration, for selected examples.

中文翻译：

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模拟填充弹性体动态力学性能的介观模型：模型构建和参数化

我们描述一种基于填充形态的填充弹性体动态模量计算的建模方法，该填充形态是从材料成分的实验界面张力得出的。使用蒙特卡洛形态发生器生成微米级的模型化合物。随后，将蒙特卡洛形态映射到拓扑相同的珠弹簧模型上，从而可以计算循环变形过程中动态模量的幅度和频率依赖性。填料絮凝的蒙特卡洛方法与类似有限元的力平衡模型的结合将表征单个成分的实验表面张力与宏观材料的动态行为联系在一起。这里，我们以具有两个成分的填充纳米复合材料为例讨论该模型及其参数化。对于所选示例，以储能模量和tanδ表示了模型的预测能力，包括它们对应变频率和填料浓度的依赖性。