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Meeting 2025 TMS Annual Meeting & Exhibition
Symposium Hume-Rothery Symposium on Thermodynamics of Microstructure Stability and Evolution
Presentation Title Dynamical Phase-Field Simulation of the THz Light-Matter Interaction in Ferroelectrics
Author(s) Jiamian Hu, Yujie Zhu, Taorui Chen, Shihao Zhuang, Bo Wang, Aiden Ross, Xiangwei Guo, Venkatraman Gopalan, Long-Qing Chen
On-Site Speaker (Planned) Jiamian Hu
Abstract Scope The spontaneous polarization in most ferroelectric materials has a terahertz (THz)-range resonant frequency and can therefore resonantly interact with an incident THz electromagnetic (EM) wave, leading to an efficient manipulation of the polarization with a thousand times faster speed than the conventional approach of applying a voltage. In this talk, the speaker will first introduce their in-house dynamical phase-field model that uniquely incorporates the coupled dynamics of polarization, strain, and EM waves at a spatial scale down to unit-cell level, which enables an accurate simulation of the THz light-matter interaction in ferroelectrics. The speaker will then discuss the application of this new computational tool to understand and predict (i) the frequency and thickness dependent transmission and propagation across a freestanding ferroelectric slab and (ii) the THz wave nonlinearity in both bulk and strained thin-film ferroelectrics, followed by a brief outlook for the future studies in this emerging research topic.
Proceedings Inclusion? Planned:
Keywords Modeling and Simulation, Electronic Materials, Phase Transformations

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A Mesoscale Integrated Model of Microstructure Evolution and Property Degradation in Nuclear Fuels
Accounting for the Alloying Effect in Electrochemical Equilibrium
Advanced Phase-Field Models of Solution Phases in CALPHAD Databases
An Integrated Simulation and Experimental Framework for Investigating Deformation Mechanisms in Alloys
Coherent Phase Stability and Short-Range Order in Multicomponent Systems
Connecting the Atomic Scale to Phase Field Models
Critical Role of Internal Stresses in the Nucleation of Nanoscale Undercooled Melts at Solid-Solid Phase Interfaces
Direct Observation of the Atomic Scale Mechanism of Grain Rotation
Dynamical Phase-Field Simulation of the THz Light-Matter Interaction in Ferroelectrics
Evolving Information Complexity of Coarsening Materials Microstructures
First-Principles Calculations of the Mg-Al Phase Diagram Under Hydrostratic Pressure
Grain Selection Growth of Alkali Metals in Electrochemical Processes: Thermodynamics and Phase-Field Model
Guiding the Design of Microstructure and Mechanical Properties of Alloys Using Integrated Phase-Field Simulation
Harnessing Nano/Microstructures: Unlocking the Shape Memory and Ferroelastic Potential of Zirconia-Based Ceramics
High-Temperature Dealloying in Molten Environments: Insights on Grain Boundary Effects From Phase-Field Modeling
High-Throughput and Systematic Study of Phase Transformations and Microstructure Evolution Using Dual-Anneal Diffusion Multiples
Hydride Formation in Superconducting Q-Bits
Machine Learning Enhanced ICME Design for Alloy Development in Additive Manufacturing
Macroscopic Energy Barrier and Thermodynamic Hysteresis in Magnetic Shape Memory Alloys
Microscopic Modeling of Pre-Martensitic Phenomena: Complementary Perspectives From Bottom-Up and Top-Down Approaches
Microstructural Mechanisms of Performance and Degradation of Materials for Hydrogen Storage and Production – Mesoscale Modeling
Microstructure-Aware Bayesian Alloy Design
Microstructure Evolutions in Ni-Based Superalloys Under Complex Creep Loadings
Multiphysics Microstructural Modeling With Mixed Inhomogeneous Boundary Conditions With Fourier Spectral Methods
Phase-Field Modeling of Damage Evolution in Environmental Barrier Coating – Ceramic Matrix Composite Systems
Phase-Field Modeling of Far-From-Equilibrium Solidification Microstructures
Phase-Field Modeling of Hydride Behavior in the Vicinity of Grain Boundary of Zr Matrix
Phase-Field Models, Multiscale Models and Machine Learning
Phase-Field Simulations of Microstructure Evolution: Application of PRISMS-PF for Complex Processing Conditions
Predicting Domain Structure and Switching in Ferroelectrics: Physics-Informed Machine Learning and Phase-Field Modeling
Strain-Induced Phase Separation and Mesocrystal Formation in Refractory HEAs
Stress-Induced Reaction Heterogeneity in Battery Electrodes
The Development of Phenomenological Thermodynamic Energies
Thermodynamics of Strain Phase Equilibria and Phase Diagrams
Understanding Mechanical Tunability in Ba1-xSrxTiO3 Membrane by Phase-Field Simulation
Understanding the Impact of Applied Magnetic Fields on the Thermodynamic and Kinetic Behavior of Heat-Treated Steels
When Grains go Wild! Tracking the Emergence and Persistence of Abnormal Grain Growth in the Commercial Aluminum Alloy 5252
William Hume-Rothery Award Lecture: Thermodynamic Basis for the Phase-Field Method of Microstructure Stability and Evolution
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