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Updated: Oct 3, 2025

Quantitative Atomic-Site Analysis of Functional Dopants/Point Defects in Crystalline Materials by Electron-Channeling-Enhanced Microanalysis
Published on: May 10, 2021
Analyses of internal structures and defects in materials using physics-informed neural networks.
Enrui Zhang1, Ming Dao2, George Em Karniadakis1,3
1Division of Applied Mathematics, Brown University, Providence, RI 02912, USA.
This study introduces a physics-informed neural network framework to identify unknown material properties and geometric parameters for internal structures and defects. The method accurately predicts defect characteristics and material properties, advancing material characterization.
Area of Science:
- Computational mechanics
- Materials science
- Artificial intelligence
Background:
- Characterizing internal structures and defects in materials presents significant challenges, often involving complex inverse problems.
- Unknown topology, geometry, material properties, and nonlinear deformation complicate accurate material assessment.
Purpose of the Study:
- To develop a general framework for identifying unknown geometric and material parameters in materials with internal structures or defects.
- To address inverse problems in material characterization, quality assurance, and structural design.
Main Methods:
- Utilized physics-informed neural networks (PINNs) for parameter identification.
- Employed a mesh-free method to parameterize material geometry using a differentiable and trainable approach.
- Validated the framework on materials with internal voids/inclusions using constitutive models spanning linear elasticity, hyperelasticity, and plasticity.
Main Results:
- Successfully predicted the size, shape, and location of internal voids/inclusions.
- Accurately determined the elastic modulus of inclusions.
- Demonstrated the framework's capability to handle diverse material behaviors, including nonlinear deformation.
Conclusions:
- The presented general framework offers a robust solution for inverse problems in material characterization.
- The physics-informed neural network approach effectively identifies geometric and material properties in complex scenarios.
- This methodology has broad applicability in quality assurance and structural design for materials with unknown characteristics.
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