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Meeting MS&T23: Materials Science & Technology
Symposium Mesoscale Phenomena in Functional Polycrystals and Their Nanostructures
Presentation Title Modeling Local Dielectric Dispersion in Ferroelectric BaTiO3 with Domain Walls
Author(s) Ashok Gurung, John Mangeri , Charles Schwarz, S Pamir Alpay, Serge Nakhmanson
On-Site Speaker (Planned) Ashok Gurung
Abstract Scope BaTiO3 (BTO) is a prototypical ferroelectric and a component in related relaxor dielectric materials. The dielectric permittivity and loss in BTO depend strongly on the response of the domain walls (DWs) to an applied electric field. We studied the DWs influence on the field-frequency and temperature dependent dielectric behavior of BTO using a phase-field modeling approach combined with finite element method computations. For BTO with 180-degree DWs, position-resolved and integral dielectric permittivity and loss were evaluated, showing that the dipole switching dynamics highly sensitive to position within the polydomain structure. The magnitude of the dielectric response and the nature of the dipole field relaxation change dramatically when moving from the domain center into the vicinity of the DW. The implications of this behavior are important for improved control of coupled functional properties of perovskite dielectrics. Distribution A. Approved for public release: distribution unlimited. (AFRL- 2023-1598) Date Approved 04- 06-2023.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Acoustic Phonon Spectra Modification and Light Emission Properties of Rare Earth Doped Polycrystalline Alumina
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Causality and Machine Learning Models of Ferroics From Atomistic Simulations
Characterization of Phase and Domain Switching in Sn-doped BCZT Piezoceramics with Large Electromechanical Strains
Computer Simulation as a Tool to Optimize Electronic Conduction.
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D-18: High-throughput Approach for Predicting Optical Properties of Crystals
D-19: Numerical Analysis of the Influence of the Second-phase Particle Morphology on the Alloy Microstructure Evolution
Enhanced Electron Transport in Metal-Carbon Composites
Heat-assisted Ferroelectric Reading for High Speed Ultrahigh-density Ferroelectric Data Storage
Hierarchical Ceramic Composites for Ultra-high Temperature Applications
Liquid Crystalline Diffractive Waveplates: Ultrathin, Planar Optics
Mesoscale Dipoles via Strain Induced Correlations in an Atomic-layer Superlattice
Modeling Local Dielectric Dispersion in Ferroelectric BaTiO3 with Domain Walls
Modeling Thermoelectric Figure of Merit in Complex Materials at Mesoscale
Optical Behavior and Electro-optic Performance in Fine Grained Lead-free Ceramics
Optical Properties of Chalcophosphate Materials in the Visible and Infrared Range
Strain-tuned Quantum Materials
Structure Property Relationships in Complex, Multi-phase, Polycrystalline Materials

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