CNT/PP Nano-composite: MD Simulations of fiber pull out and tensile fracture with yielding

Interactions of Polypropylene with Carbon Nanotube in a nanocomposite: The figure on the left shows the Molecular Dynamics Model of a Pull-out test, which helps to determine the interface shear strength of the polymer with CNT. The figure on the right shows a nano-composite unit cell under tensile loading. While small vacuum pockets are seen dispersed through the polymer, the crack which propagates is near the end of the nanotube. At continuum level the phenomenon of stress concentration is manifesting in the atomic structure.
Contact details: 
Prof. S.P.Singh
Department of Mechanical Engineering