Learning the Molecular Mechanisms Underpinning the Mechanics of Polymer Grafted Nanoparticle Assemblies

In this talk, I will summarize recent advances in computational design of new polymeric materials that make use of nanoscale topologies that result in improved mechanical properties. I will first present physics-based and data-driven approaches that we developed describe molecular and mesoscale mechanics of polymer grafted nanoparticle systems, discussing their behavior in thin film and bulk states. Following this, I will present strategies for achieving impact tolerance in these soft materials, including using multiple PGN components to simultaneously improve yield strength and toughness, or employing extremely bi-disperse in graft lengths to get dual-network like behavior. I will conclude with some thoughts on how to translate these theoretical findings to new material concepts that could be explored further with synergistic experiments and simulations.