Molecular Dynamics Investigation of the Structural Characteristics of Amorphous

摘要

Molecular dynamics (MD) computations predict that the percentage of gauche bondsfor poly(vinylidene fluoride) PVDF is greater than that for the 50 mol% copolymer with trifluoroethylene, at high temperature and after annealing. PVDF is enriched in gauche conformations on cooling whereas the copolymer acquires more trans conformations. The MD results are consistent with experimental trends that have been observed for these piezoelectric polymers. jg.