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Meeting MS&T24: Materials Science & Technology
Symposium Advances in Multiphysics Modeling and Multi-modal Imaging of Functional Materials
Presentation Title Deep Operator Learning for Battery Characterization: From Materials to Systems
Author(s) Wei Li, Ruqing Fang, Junning Jiao, Georgios N. Vassilakis, Juner Zhu
On-Site Speaker (Planned) Juner Zhu
Abstract Scope Recent advances in scientific machine learning (SciML) have shed light on modeling complex engineered systems, including batteries. Battery materials are functional through a combination of multiphysics processes, including pattern formation. Simulations of real patterns in battery materials incur significant computational costs, which could be alleviated by leveraging large image datasets. We developed Phase-Field DeepONet, a physics-informed operator neural network framework that predicts the dynamic responses of systems governed by gradient flows of free-energy functionals. The approach is demonstrated in solving the Allen-Cahn and Cahn-Hilliard equations. We also explored a technical roadmap to scale up material-level simulations to the system level by replacing governing equations of the sub-models with pre-trained neural networks (DeepONets). A successful preliminary example will be demonstrated on Li-metal solid-state batteries. The SciML-based framework shows significantly improved computational efficiency compared to conventional approaches.

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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