Fig. 3: Molecular dynamic and phase-field simulations of the interfacial polar polymers.
From: Unraveling bilayer interfacial features and their effects in polar polymer nanocomposites
a The simulated content variations of different polymer conformations in PVDF under the driving electric potential, where the inset is the constructed interface model for molecular dynamic simulations containing a TiO2 slab and interfacial PVDF polymers. b The views of the conformations of a single PVDF chain at different stages of time (t) and electric field (E) during the conformation transition process. The TTTT conformations are marked with orange shadow, PTTTT represents the probability of the TTTT conformation within the PVDF chain. c The phase-field simulated distributions of electric potential between two adjacent particles with different interparticle distances (d).
