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Abstract: The phase diagrams of polyvinylidene fluoride (PVDF) and its copolymers with chlorotrifluoroethylene (CTFE) are investigated by first-principles calculations. Both PVDF and dilute P(VDF-CTFE) prefer nonpolar structures at zero field, but transform to a polar phase below the breakdown field. The critical field decreased with increasing CTFE content, facilitating the transformation. In disordered P(VDF-CTFE), a distribution of concentrations leads to a range of polar transitions, resulting in ultrahigh energy density. These results explain well experimental observations of very high-energy density in P(VDF-CTFE).
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Ranjan, Vivek; Yu, Liping; Buongiorno Nardelli, Marco & Bernholc, Jerry.Phase Equilibria in High Energy Density PVDF-Based Polymers,
article,
July 27, 2007;
[College Park, Maryland].
(https://digital.library.unt.edu/ark:/67531/metadc270788/:
accessed June 8, 2024),
University of North Texas Libraries, UNT Digital Library, https://digital.library.unt.edu;
crediting UNT College of Arts and Sciences.
