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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.
Abstract:
Characterizing internal structures and defects in materials is a challenging task, often requiring solutions to inverse problems with unknown topology, geometry, material properties, and nonlinear deformation. Here, we present a general framework based on physics-informed neural networks for identifying unknown geometric and material parameters. By using a mesh-free method, we parameterize the geometry of the material using a differentiable and trainable method that can identify multiple structural features. We validate this approach for materials with internal voids/inclusions using constitutive models that encompass the spectrum of linear elasticity, hyperelasticity, and plasticity. We predict the size, shape, and location of the internal void/inclusion as well as the elastic modulus of the inclusion. Our general framework can be applied to other inverse problems in different applications that involve unknown material properties and highly deformable geometries, targeting material characterization, quality assurance, and structural design.
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