Modeling of the structure of ferroelectric polymer systems using the synthesis of discrete and continual approaches

• Published in: Ferroelectrics Vol. 543; no. 1; pp. 87 - 93
• Main Authors: Maksimova, O. G., Baruzdina, O. S., Petrova, T. O., Egorov, V. I., Maksimov, A. V.
• Format: Journal Article
• Language: English
• Published: Philadelphia Taylor & Francis 26-04-2019; Taylor & Francis Ltd
• Subjects: Chemical synthesis; Dipoles; Ferroelectric materials; Ferroelectricity; Interaction parameters; Macromolecules; Mathematical models; molecular dynamics method; Monte Carlo method; Order parameters; Polymer ferroelectric; Polymers; Quadrupoles; tube model
• ISSN: 0015-0193; 1563-5112
• DOI: 10.1080/00150193.2019.1592438

A model of a ferroelectric polymer system is proposed that is a synthesis of various models of polymer systems and low-molecular ferroelectrics. The problem of self-consistency between the orientational order parameter of macromolecules and the appearance of spontaneous polarization is solved. The temperature dependences of the intermolecular distances, the dipole and quadrupole order parameters, the susceptibility at different values of the intermolecular interaction parameters are calculated.