Bystrov, V.; Paramonova, E.; Meng, X.; Shen, H.; Wang, J.; Lin, T.; Fridkin, V. Ferroelectric Thin Films and Composites Based on Polyvinylidene Fluoride and Graphene Layers: Molecular Dynamics Study. Coatings2024, 14, 356.
Bystrov, V.; Paramonova, E.; Meng, X.; Shen, H.; Wang, J.; Lin, T.; Fridkin, V. Ferroelectric Thin Films and Composites Based on Polyvinylidene Fluoride and Graphene Layers: Molecular Dynamics Study. Coatings 2024, 14, 356.
Bystrov, V.; Paramonova, E.; Meng, X.; Shen, H.; Wang, J.; Lin, T.; Fridkin, V. Ferroelectric Thin Films and Composites Based on Polyvinylidene Fluoride and Graphene Layers: Molecular Dynamics Study. Coatings2024, 14, 356.
Bystrov, V.; Paramonova, E.; Meng, X.; Shen, H.; Wang, J.; Lin, T.; Fridkin, V. Ferroelectric Thin Films and Composites Based on Polyvinylidene Fluoride and Graphene Layers: Molecular Dynamics Study. Coatings 2024, 14, 356.
Abstract
This work is devoted to consideration and analysis of the application of molecular dynamics simulation (MDS) methods to the study of nanosized polymer polyvinylidene fluoride (PVDF) thin ferroelectric films (two-dimensional ferroelectrics) and their composites with graphene layers: 1) to study and calculations of the polarization switching time depending on the electric field and PVDF film thickness; 2) to study and calculations of the polarization switching time depending changes of the PVDF on PVDF-TrFE film; 3) to study the polarization switching time in PVDF under influence of graphene layers. All calculations at each MDS step were carried out using quantum semi-empirical methods PM3. A comparison and analysis of the results of these calculations and the kinetics of polarization switching within the framework of the Landau-Ginzburg-Devonshire theory for homogeneous switching in ferroelectric polymer films is carried out. The study of the composite heterostructures of the “graphene-PVDF” type and calculations of their polarization switching times were presented too. It is shown that replacing PVDF with PVDF-TrFE significantly changes the polarization switching times in these thin polymer films, and that introducing various graphene layers into the PVDF layered structure leads to both an increase and a decrease in the polarization switching time. Here everything also depends on the position and displacement of the ferroelectric coercive field depending on the system damping parameters.
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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