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Meeting MS&T24: Materials Science & Technology
Symposium Mesoscale Phenomena in Functional Polycrystals and Nanostructures
Presentation Title D-14: Modeling Domain Wall Dynamics in Polydomain Ferroelectric BaTiO3
Author(s) Ashok Gurung, M. Fatin Ishtiyaq, John Mangeri, S. Pamir Alpay, Serge Nakhmanson
On-Site Speaker (Planned) Ashok Gurung
Abstract Scope Barium Titanate (BaTiO3, BTO) is an attractive material due to its superior dielectric and optical properties at near room temperature operating conditions. However, the efficiency and usefulness of BTO is limited by its morphological makeup, including domain walls (DWs), which influence the dynamics of polarization response under applied AC fields. To elucidate the effects of DW presence on temperature and frequency dependent dielectric dispersion in BTO, we employed phase-field modeling based on Landau-Ginzburg theory. Our studies reveal that a 180-degree domain wall exhibits distinct dispersion characteristics absent within polar domains, enhancing the system dielectric response. DWs also influence the local sensitivity of dielectric dispersion to the applied field, including the height and central frequency of the loss peak. The improved understanding of DW dynamics in AC electric fields paves the way for low latency, agile DW-based applications in optics and electronics.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Phase Field Analysis of Temperature-Dependent Grain Growth in Polycrystalline Alloys Embedded with Secondary Particles
Berry Phase Polarization Calculation of Carbon Nanotubes: Toward Non-Destructive Testing and Monitoring
Carbon, Coal and Graphite: A Simulation Approach
D-13: Computer Simulation as a Tool to Optimize Electronic Conduction
D-14: Modeling Domain Wall Dynamics in Polydomain Ferroelectric BaTiO3
D-15: Structural Optimization of Transport Properties in Artificial Interfacial Solids for High ZT Thermoelectrics
D-16: Ultra-Conducting Copper Graphene Composites from Coal
Electro-Optics in Ferroelectrics: Ab-Initio Insights
Exploring Barium Titanate: Theoretical Insights and Topological Phenomena
Exploring the Spatial Projection of Thermal Conductivity and Heat Transport in Materials
Ferroelectrics for Emergent Silicon-Integrated Optical Computing
Grain Boundary Chemistry and Electrical Potentials in Electronic Oxides
High-Throughput Approach for Predicting Optical Properties of Crystals
Intergranular Chemistry and Sintering of Metal Oxide Particle Powders
Metal-Graphene Interactions for Enhanced Electronic Conductivity in FCC Metals.
Microstructural Characterization of Artificial Interfacial Solids for High ZT Thermoelectrics
Nanoscale Flexoelectric Control of Tribology in Ferroelectrics
Permissible Domain Walls in Monoclinic Ferroelectric Phases
Predicting Failure via Grain Boundary Rupture Using a Stochastic FEM-based Approach
Vapor Phase Grown Metal Oxide Nanoparticles in Aqueous Environments: Structure Formation, Transformation Behaviour, and Reactivity

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