Journal article

Structure of solid poly(tetrafluoroethylene): a computer simulation study of chain orientational, translational, and conformational disorder

The nature of the orientational, translational, and conformational disorder exhibited by poly(tetrafluoroethylene) has been characterized with the help of mol. dynamics calcns. based on a new all-atom interaction potential function developed specifically for the perfluoroalkanes. The simulation has identified the following sequence of phenomena, which arise on heating the low-temp. cryst. phase: helical unwinding of chain segments, longitudinal jump diffusion of chains-without gauche defects-followed by generation of gauche defects. These observations accord well with exptl. data. [on SciFinder (R)]


    Record created on 2006-02-27, modified on 2017-05-12


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