Designed-in molecular interactions lead to superior thermo-mechanical properties in nanocomposites
Özden Yenigün, Elif and Atılgan, Ali Rana and Bilge, Kaan and Menceloğlu, Yusuf Z. and Atılgan, Canan and Papila, Melih (2011) Designed-in molecular interactions lead to superior thermo-mechanical properties in nanocomposites. In: 2010 MRS Fall Meeting, Boston, Massachusetts
Official URL: http://dx.doi.org/10.1557/opl.2011.607
The effect of the nanofiller chemistry on the mechanical behaviour of thermoset polymer matrix nanocomposites is investigated. The interaction between a crosslinked polymer resin and the reinforcing nanofibers driven by their chemistry is revealed by molecular dynamics simulations. Specifically, crosslinked network systems of neat epoxy and epoxy-P(St-co-GMA) are modeled to discuss the effect of various molecular interactions as a function of temperature on a molecular basis. At 433 K, incorporation of single molecule of bonded P(St-co-GMA) and nonbonded P(St-co-GMA) lead to increase in Young’s modulus by 10% and 6%, respectively, compared to neat epoxy system.
Repository Staff Only: item control page