分子動力学シミュレーションによるフィジカルエージング現象の再現

抄録

Physical aging, and its long-term effect upon stiffness, strength and creep compliance, is an important phenomenon that needs to be well understood and modelled for the safe use of polymers and polymer matrix composites when applied in engineering structures. It is well known that many material properties, such as density, elastic modulus, yield stress, indentation hardness and elongation, are affected by physical aging. Many research efforts on accelerated physical aging of polymeric materials have been carried out experimentally. However, analytical information about the examination of physical aging by molecular dynamics simulation is very limited. In this study, we focused on the movement of polymer chains into a slow and gradual approach to equilibrium. The stabilization of polymers by using Molecular Dynamics Simulation was analyzed.