A Theory-Modeling-Simulation Strategy for the Polymer Nano-Composite Pipeline

Prof. M. Gregory Forest

ABSTRACT: Polymer nano-composites consist of typically high aspect ratio nano-particles at low volume fractions in a solvent which may be viscous or polymeric. Nano-clay platelets or nano-rods with aspect ratios of 100-1000 are typical. The nano-particles have distinguished physical properties that enhance the composite; most applications require multi-functional materials with tailored conductivity, permeability, strength, etc. So, why is "nano" different from any other composite material technology? There are millions of anisotropic particles per cubic micron, which couple through non-local excluded volume and elasticity potentials, which introduce new surface area to volume ratios that are mind-boggling (e.g., nano-clays introduce football fields of surface area per raindrop), and which must be hydrodynamically processed to make fibers, films, or shape-specific molds. "Houston, we have a problem." These processes are not computable, and one can only measure statistical properties. My lecture will highlight a strategy to support experiments, consisting of theory, models, and computational tools for each phase of the pipeline. Marginal successes to date, and challenges ahead, will be presented.