초록 |
In this study, the thermo-elastic and glass transition properties of carbon nanotube (CNT) reinforced epoxy composites are investigated using molecular dynamics (MD) simulations. The six different unit cells are modeled with respect to volume fraction of CNT. In order to calculate the glass transition temperature and coefficient of thermal expansion (CTE), the heating-up simulations are performed in isobaric condition, and specific volumes at each temperature are obtained. In addition, the elastic stiffness moduli at each temperature are predicted under equivalent external pressure. As a result, the thermo-elastic and glass transition properties are improved by increasing volume fraction of CNT. Not surprisingly, it is also observed that the thermal behavior is clearly differed in glassy and rubbery states. |