The influence of polyhedral oligomeric silsesquioxane (POSS) on nano-hybrid materials has caused widespread
attentions. In the current work, we investigate the deformation behaviors and the mechanical properties of the two kinds
of polymers, polyethylene (PE) and PE copolymerized with vinyl-POSS (POSS-PE) by using molecular mechanics
simulations. First, the nano scale atomistic models of the PE and POSS-PE incorporated with 25 wt% vinyl-POSS are
built. With the aids of the COMPASS force field, the mechanical behaviors of the two kinds of polymers under different
tensile strains are then simulated and the stress-strain curves are obtained. From the curve, the stresses and strains of PE
keep approximately linear before the yield point. The corresponding tensile modulus is in good agreement with the
experimental data. In addition, the simulation results show that the localized necking deformation appears during the
yield process. It is believed that the slippage between the adjacent molecule chains is the chief source of such localized
deformation. However, the necking phenomenon is not found in POSS-PE nano-composite. It seems that the POSS cages
prevent the macromolecule chains from wide-spread slipping. The deformation is restrained locally around POSS
monomers, thus leading to the formation of micro voids. We finally analyze the mechanical properties of the two kinds
of polymers. The elastic modulus and tensile strength of POSS-PE have been remarkably improved. This work is
significant to understand the reinforcement mechanism of POSS and provides important referential message to the
applications of POSS.
Access to the requested content is limited to institutions that have purchased or subscribe to SPIE eBooks.
You are receiving this notice because your organization may not have SPIE eBooks access.*
*Shibboleth/Open Athens users─please
sign in
to access your institution's subscriptions.
To obtain this item, you may purchase the complete book in print or electronic format on
SPIE.org.
INSTITUTIONAL Select your institution to access the SPIE Digital Library.
PERSONAL Sign in with your SPIE account to access your personal subscriptions or to use specific features such as save to my library, sign up for alerts, save searches, etc.