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Spontaneous Wrinkle Collapse in Anisotropic Condensed Matter Predicted by Deep Learning
Kitae Kim1, Jun-Hee Na1,2
1Department of Convergence System Engineering, Chungnam National University, 99 Daehak-ro, Yuseong-gu, Daejeon, 34134, Republic of Korea.
A new deep learning framework predicts liquid crystal configurations rapidly. This AI model accurately captures molecular order and defects, accelerating materials science research.
Area of Science:
- Condensed Matter Physics
- Materials Science
- Computational Physics
Background:
- Nematic liquid crystals exhibit complex orientational order and topological defects.
- Predicting these configurations typically requires computationally intensive simulations.
- Controlling topological textures is crucial for advanced optical applications.
Purpose of the Study:
- To develop a fast and accurate deep learning framework for predicting nematic liquid crystal configurations.
- To validate the model's predictions against experimental observations.
- To establish a generalizable data-driven surrogate for nematic systems.
Main Methods:
- A 3D U-Net deep learning model was trained on data from a finite element Landau-de Gennes solver.
- Simulated director fields were compared with experimental data from photoaligned wrinkle substrates.
- Polarized optical microscopy (POM) images were used for validation.
Main Results:
- The 3D U-Net model accurately predicts global orientational order and local defect structures.
- Predictions are generated in milliseconds, significantly faster than conventional simulations.
- The model successfully reproduces complex defect behaviors, including collapse and splitting.
- Experimental validation confirmed the model's reliability and fidelity across diverse boundary conditions.
Conclusions:
- The deep learning framework provides a robust, data-driven surrogate for simulating nematic liquid crystals.
- This approach bridges computational theory and experimental validation.
- It offers a pathway for designing and controlling topological textures in materials for photonics and optics.
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