Advanced computational models and software on predicting the effective elastic properties for computer-simulated structures of nanocomposite

New computational models and software tools for effective evaluation of elastic properties of matrix-type nanocomposites and periodically structured composite materials of 3-D configuration are elaborated. This means nanoscale modification of continuum mechanics and micromechanics models for reliable description of the behavior of involved objects, adapted to these models numerical simulation and software, demonstration of numerical analysis possibilities with the specification of material and spatial peculiarities of nanocomposites. Computational models and algorithms for analysing the strong material contrast of components in 3-D systems of “matrix-nanoparticle”, with complicated shapes and interaction of nanoinclusions are developed. Specific interface surfaces with the imperfect contact of components at the nanoscale, in particular, due to the existence of surface tension are considered. The method of determining effective elastic modulus of various representative volume elements of three-dimensional nanocomposites is developed. It allows us to study the influence of shapes and relative dimensions of inhomogeneities and matrixes of the representative volume element on effective elastic modulus of nanocomposites for synthesis of nanocomposites with improved deformation and stiffness characteristics