Calculating the Internal Structure and the Equilibrium Configuration (Shape) of Separate Noninteracting Nanoparticles by the Molecular Mechanics and Dynamics Interactions of Nanostructural Elements

Two Nanostructure Elements ....................................................... 251 9.4 Problem Formulation for Interaction of Several Nanoelements .. 254 9.5 Numerical Procedures and Simulation Techniques ..................... 256 9.6 Results and Discussions .............................................................. 258 9.7 Nanoparticles Interaction ............................................................. 262 9.8 Conclusions .................................................................................. 275 Acknowledgments ................................................................................. 276 Keywords .............................................................................................. 277 References ............................................................................................. 277

9.1 INTRODUCTION

The properties of a nanocomposite are determined by the structure and properties of the nanoelements, which form it. One of the main tasks in making nanocomposites is building the dependence of the structure and shape of the nanoelements forming the basis of the composite on their sizes. This is because with an increase or a decrease in the specific size of nanoelements (nanofibers, nanotubes, nanoparticles, and so on), their physical-mechanical properties such as coefficient of elasticity, strength, deformation parameter, and so on, are varying over one order [1-5].