C Microscopic Molecular Dynamics Studies of Atomic Enhanced SBR Polymer Composites

Abstract

Abstract A three-layer microscopic model with Fe atoms as the top and bottom layer and SBR polymer composites as the middle layer was established and studied. By adding C atoms as reinforcement, the stability changes of SBR polymer composites before and after adding C atoms were studied. In this study, the molecular dynamics method was used to observe the interlayer SBR polymer composites by applying shear load on the top and bottom Fe atoms.The simulation shows that the relative atomsic concentration, temperature, velocity, overall temperature average, kinetic energy, total energy and MSD in the thickness direction are reduced after adding C atoms. The stability of SBR polymer composites is enhanced, and the deformation under shear is weakened. In addition, it is found that the binding energy between SBR polymer composites and Fe atoms is reduced after adding C atoms.The stability of SBR polymer composites is improved during use.This work provides a method for studying the properties of rubber composites by studying the enhancement of the stability of SBR polymer composites from the microscopic point of view.