4 documents found, page 1 of 1
Polarization switching in PVDF ferroelectric polymer composites containing grap...
Bystrov, Vladimir; Paramonova, Ekaterina; Bystrova, Anna; Shen, Hong; Meng, XiangjianIn this work molecular modeling and quantum molecular dynamic (MD) calculations studies composite nanostructure containing ferroelectric polymer PVDF and graphene layers were carried out using HyperChem software and PM3 semi-empirical method. It is shown that the inclusion (addition) of graphene layers to the ferroelectric PVDF polymer increases the coercive field of the composite structure and decreases the po...
Modelling of the Piezoelectric and Pyroelectric properties of the Ferroelectric...
Bystrov, Vladimir; Silibin, Maxim; Meng, Xiangjian; Lin, Tie; Shen, Hong; Tian, Bobo; Wang, Jianlu; Karpynsky, Dmitry; Bystrova, AnnaRecent results in modelling and computational studies of new composite nanomaterials based on polymer ferroelectrics and graphene/graphene oxide structures are reviewed. Main findings of the computational molecular modelling and calculations of the plane layered and fibers nanostructures, as well as multi-layered structures, and the piezoelectric and pyroelectric properties of the composites, consisting of poly...
Piezoelectric, ferroelectric, optoelectronic phenomena in hydroxyapatite by fir...
Bystrov, Vladimir; Coutinho, José; Avakyan, Leon; Bystrova, Anna; Paramonova, EkaterinaThe results are based on DFT calculations of hydroxyapatite (HAP) structures, pristine and defective, determined by various defects formed by Oxygen vacancy dependent on its charged states. Ordered hexagonal and monoclinic HAP phases have own spontaneous polarization, while disordered do not have it. These ferroelectric properties determined by orientation of OH dipoles provide piezoelectric and pyroelectric ph...
Piezoelectric, ferroelectric, optoelectronic phenomena in hydroxyapatite by fir...
Bystrov, Vladimir; Coutinho, José; Avakyan, Leon; Bystrova, Anna; Paramonova, EkaterinaThe results are based on DFT calculations of hydroxyapatite (HAP) structures, pristine and defective, determined by various defects formed by Oxygen vacancy dependent on its charged states. Ordered hexagonal and monoclinic HAP phases have own spontaneous polarization, while disordered do not have it. These ferroelectric properties determined by orientation of OH dipoles provide piezoelectric and pyroelectric ph...