ИСТИНА

In this work we used dissipative particle dynamics simulations to gain insight into the connection between the mechanical properties and the structure of cross-linked elastomers filled with spherical particles (Fig.1). In order to understand the influence of the nanoparticles, a rigorous study of the structural properties of unfilled matrixes were carried out, and then their behavior was compared to the behavior of the corresponding filled systems; several filler volume fractions were studied. The mechanical properties of the composites were investigated under uniaxial stretching. Dependences of segmental orientation on deformation and true stress were studied; these dependences are compared to the theoretical predictions and available experimental data. The structural changes in the deformed state were studied as well, namely, the dependences of mean end-to-end distance on the subchain length. We found that there are several sets of subchains with distinct properties. Part of the subchains which are not connected to the filler particles are deformed slightly more than in the unfilled matrix; the subchains connected to the filler particles are deformed significantly more. If the filler concentration is high enough, the areas of the subchains affected by the filler surfaces may overlap, resulting in abrupt increase of the Young’s modulus.