| About this Abstract |
| Meeting |
MS&T22: Materials Science & Technology
|
| Symposium
|
Mesoscale Phenomena in Functional Polycrystals and Their Nanostructures
|
| Presentation Title |
D-22: Mesoscale Modeling of Domain Wall Behavior in Perovskite Ferroelectrics |
| Author(s) |
Charles Schwarz, Ashok Gurung, John Mangeri, Serge Nakhmanson |
| On-Site Speaker (Planned) |
Charles Schwarz |
| Abstract Scope |
We utilized a highly scalable real-space finite-element-method (FEM) based approach, implemented as an open-source module for the MOOSE (Multiphysics Object-Oriented Simulation Environment) FEM framework and combined with Ginzburg-Landau-Devonshire phenomenological theory, to simulate the behavior and properties of domain walls in generic perovskite ferroelectrics, such as BaTiO3 and PbTiO3. 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. |