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With the goal of elucidating the structure of polyvinylidene difluoride (PVDF) nanofibers, all-atom molecular dynamics simulations were performed, and the results were compared with structures observed in high resolution transmission electron microscopy (TEM) at the molecular level. Simulation shows that the stability of the β-phase component in a PVDF nanofiber is influenced by the diameter of the...
We analyze by means of atomistic molecular-dynamics simulations and analytical theory the relaxation processes that occur following the formation of thin electrospun nanofibers of poly(vinylidene fluoride). We find the relaxation processes that follow formation of a nanofiber to be of two types. One type is a rapid rotation of chain segments that gives rise to twist defects at various points along...
In contrast to the comprehensive understanding of novel ferroelectric [i.e., relaxor ferroelectric (RFE) and antiferroelectric] behavior in ceramics, RFE and double-hysteresis-loop (DHL) behavior in crystalline ferroelectric polymers have only been studied in the past fifteen years. A number of applications such as electrostriction, electric energy storage, and electrocaloric cooling have been realized...
We study phase separation in a polymerizing system by means of Monte Carlo simulation on a triangular lattice. This serves as a model for the processes occurring in the formation of polymer-dispersed liquid crystals (PDLCs). The resulting structures are dependent not only on temperature and concentration but also on the relative rates of polymerization and diffusion. The effective phase diagrams...
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