A. Habenschuss / B. K. Annis / D. W. Noid / B. G. Sumpter / B. Wunderlich

High-performance polymers have become a prominent part of materials science, providing solutions to many demanding technological problems. They are used as high-strength fibers, films, and composites because of their exceptional strength to weight ratio. Entropy (or rubber) elasticity provides a unique materials property available only in polymers. Many optical and electrical properties make polymers important materials for the microelectronics, computer, and communications industries. Also well-known are the enormous volumes of polymers used in packaging, insulation, and agriculture. One can hardly think of any modern high-technology equipment, from spacecraft to medical tools to implants, without noting the involvement of polymers. Major progress made in the polymer industry in the last 30 years is due to an increasing understanding of the link between observed macroscopic behavior and the microscopic, molecular properties.

In this program, we pursue fundamental structural and dynamic studies with the intent of providing a better understanding of advanced polymeric materials. Our approach is based on a combination of experimental and theoretical efforts. To characterize the structure of bulk polymers and fibers at the molecular level, we use small-angle and wide-angle x-ray and neutron scattering; the motion and disorder in polymers is probed by NMR and neutron spectroscopy; scanning tunnelling, atomic force, and optical microscopies can map out surface morphologies; and the bulk mechanical, transport and thermodynamic properties are characterized with thermal and mechanical analysis. The theoretical aspects are addressed with state of the art molecular dynamics and neural networks to simulate chain conformations, dynamics, and energy flow in polymers, with the simulations closely linked to experiment.

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