Interfacial characteristics computational studies

Eor example, the effective elastic properties of silica nanopartides-reinforced polymer nanocomposites were predicted by means of various FEM-based computational models [70], induding an interphase layer around partides as a third constituent material in the prediction of the mechanical properties. Boutaleb et al. [30] studied the influence of structural characteristics on the overall behavior of silica spherical nanoparticles-polymer nanocomposites by means of analytical method and FEM. They assumed that the interphase between silica partide and polymer matrix presents a graded modulus, ranging from that of the silica to that of the polymer matrix, for example, a gradual transition from the properties of the silica to the properties of the polymer matrix (Figure 5.6). The change in elastic modulus in the interphase was described by a power law introducing a parameter linked to interfacial features. 

---