NSF grant awarded for polymer simulations

The National Science Foundation, Division of Condensed Matter and Materials Theory, has selected Prof. Scott Milner’s proposal “Novel Simulation Strategies for Predicting Polymer Properties”for full funding ($376,278 over three years).  This proposal develops and exploits new approaches to predict three kinds of properties:

  • interfacial tensions between polymer crystals, melts, and substrates, which are central to predicting nucleation barriers and designing nucleating agents;
  • chi parameters between polymer pairs, which are necessary for predicting miscibility, microphase separation, and strength of interfaces between immiscible polymers;
  • entanglement length for flexible, semiflexible, and stiff polymer chains in melts and solutions, which is the central parameter in the modern theory predicting flow behavior of polymer melts and solutions from chain architecture.