About this Abstract |
Meeting |
MS&T22: Materials Science & Technology
|
Symposium
|
2022 Undergraduate Student Poster Contest
|
Presentation Title |
Mesoscale Modeling of Domain Wall Behavior in Perovskite Ferroelectrics |
Author(s) |
Charles Ely Schwarz, Ashok Gurung, John Mangeri, Serge Nakhmanson |
On-Site Speaker (Planned) |
Charles Ely Schwarz |
Abstract Scope |
We have applied a highly scalable real-space finite-element-method (FEM) based approach to simulate the behavior and properties of domain walls in generic perovskite ferroelectrics, such as BaTiO3 and PbTiO3. The model utilizes Ginzburg-Landau-Devonshire phenomenological theory and is implemented through an open-source module for the MOOSE (Multiphysics Object-Oriented Simulation Environment) FEM framework. Domain wall thickness profiles were evaluated as functions of temperature for a variety of different wall types and material phases, and compared with results of previous phenomenological studies that employed a Fourier transformation approach in periodic systems. Behavior of some domain wall types under an applied harmonically varying electric field was also probed as a function of the driving field frequency, elucidating the contribution of domain wall motion to complex dielectric response of the material. |