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Meeting MS&T24: Materials Science & Technology
Symposium Advances in Multiphysics Modeling and Multi-modal Imaging of Functional Materials
Presentation Title Analytical Model and Dynamical Phase-Field simulations of Terahertz Susceptibility in Ferroelectrics
Author(s) Yujie Zhu, Taorui Chen, Aiden Ross, Bo Wang, Xiangwei Guo, Venkatraman Gopalan, Long-Qing Chen, Jia-Mian Hu
On-Site Speaker (Planned) Yujie Zhu
Abstract Scope We develop analytical model and perform dynamical phase-field simulations to predict the linear and nonlinear dielectric susceptibilities of ionic polarization to continuous terahertz (THz) waves, as well as the resulting transmission, reflection, and absorption of THz wave. Using a perturbation method for solving the nonlinear equation of motion for ionic polarization within the framework of Landau-Ginzburg-Devonshire theory, the full second-order nonlinear susceptibility tensor is derived as a function of frequency, temperature, and strain. The theory predicts the coexistence of a significantly enhanced second-order dielectric susceptibility and a relatively low dielectric loss in BaTiO3 films with a strain-stabilized monoclinic ferroelectric phase and in a strained SrTiO3 film near its temperature-driven second-order ferroelectric-to-paraelectric phase transition. This work establishes a theoretical framework for predicting and exploiting nonlinear interactions between THz waves and ferroelectric materials, and more generally, suggests exciting opportunities to strain-engineer nonlinear dynamical properties of ferroelectrics beyond the static and quasi-static limits.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Thermodynamically Consistent Model for Yield Stress Fluids
Advances in THz Nano-Imaging: from Qubit Circuits to Topological Edge States
Analytical Model and Dynamical Phase-Field simulations of Terahertz Susceptibility in Ferroelectrics
Atom-to-Architecture Co-Design of Next-Generation High-Efficiency Microelectronics through High-Fidelity Device Modeling
Automated Quantification and Quality of Piezo Force Microscopy Results Especially for Polycrystalline Piezoelectrics
Chemo-Mechanical Origin of Accelerated Oxidation Near the Surface Flaws
Construction of Coarse-Grained Molecular Dynamics with Many-Body Non-Markovian Memory
Deep Operator Learning for Battery Characterization: From Materials to Systems
Determining Heterogeneous Elastic Properties of Soft Materials Using Physics-Informed Neural Networks
Equilibrium and Nonequilibrium Thermodynamics of Ferroics
Fouriera: Automated Spectral Methods for Multiphysics Problems via Symbolic Computing
Identifying Internal Process Order Parameters in Nonstoichiometric Oxides Described by Sublattice Model
Insight into Optical Control of Ferroelectrics Using Density Functional Theory
J-1: Integration of Phase-Field Model and Fast Fourier Transform-Based Crystal Plasticity with Geometrically Necessary Dislocations to Model Simulate Microstructure Evolution of Gradient Grained Metals
Molecular Dynamic Simulation of Pectin and Cellulose Nanocrystals Composites
Nanocomposite Electrical Generators: A Multiscale Approach
Numerical Solution for the Average Velocity of Dislocations Following the Kink-Pair Mechanism
Probing Short-Wavelength Magnonics Using IR-Band Stroboscope
The Cheap Stochastic Surrogate Model for the Precipitation Quasi-Geostrophic Equations
Thermodynamics and Ultrafast Evolution of Nanoscale Polar Structures
Ultrafast X-Ray Imaging and Dynamics in Functional Complex Oxides: Nanoscale Transformations and Dynamical Modes
X-Ray Ptychographic Tomography at the Diamond Light Source

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