Finite element-based micromechanical modelling of phase interactions in filler reinforced elastomers

弹性体部件（如轮胎、密封件或轴承）的性能通过添加填充颗粒而显著增强，从而增加硫化化合物的刚度，并改善机械性能，如拉伸和断裂强度、耐磨性和硬度。填料对材料特性的影响很大程度上取决于填料集料的大小和几何形状，这些集料在机械载荷下会发生变化。更重要的方面是填料的表面活性和粗糙度，填料-填料键的断裂和重组，以及填料和聚合物之间的相互渗透和孔隙空间填充程度。将这些物理性质纳入微观尺度的计算模型，我们的目标是更好地理解填料增强弹性体中的相相互作用。目前基于有限元的方法的一个优点是计算效率高，并且可以研究上述重要物理参数对材料动态力学行为的影响。特别注意的是玻璃桥的形成和填料表面周围的粘合橡胶。考虑到玻璃化转变温度是与填料表面距离的函数，可以很好地描述填料网络的力学行为。这一步对于评估新橡胶化合物的动态力学、损伤和最终的长期行为至关重要。

The performance of elastomer components such as tires, seals or bearings is significantly enhanced by the addition of filler particles leading to an increased stiffness of vulcanized compounds and an improvement of mechanical properties such as tensile and breaking strength, abrasion resistance and hardness. The influence of the fillers on the characteristic material behaviour significantly depends on the size and geometric form of the filler aggregates which vary under mechanical loading. Further important aspects are e.g. the surface activity and roughness of the fillers, the breakage and reformation of filler-filler bonds and the degree of interpenetration and pore-space filling between filler and polymer. Including these physical properties into a computational model at the micro scale we aim at a better understanding of phase interactions in filler reinforced elastomers. An advantage of the present finite element-based approach is its computational efficiency coupled with the possibility to study the influence of the abovementioned important physical parameters on the dynamic-mechanical material behaviour. Special attention is devoted to the formation of glassy bridges and bound rubber around the filler surface. Considering the glass transition temperature as a function of the distance to the filler surface the mechanical behaviour of the filler network can be well described. This step is crucial to estimate the dynamic-mechanical, the damage and finally the long-term behaviour of new rubber compounds.