Abstract

Microstructure characterization and reconstruction (MCR) is one of the most important components of discovering processing-structure-property relations of porous media behavior and inverse porous media design in computational materials science. Since the algorithms for describing and controlling the geometric configuration of microstructures need to solve a large number of variables and involve multiobjective conditions, the existing MCR methods have difficulty in gaining a perfect trade-off among the quantitative generation and characterization capability and the reconstruction quality. In this work, an improved 3D Porous Media Microstructure (3DPmmGAN) generative adversarial network based on deep-learning algorithm is demonstrated for high-quality microstructures generation with high controllability and high prediction accuracy. The proposed 3DPmmGAN allows the model to utilize unlabeled data for complex high-randomness microstructures end-to-end training within an acceptable time consumption. Further analysis shows that the trained network has good adaptivity for microstructures with different random geometric configurations, and can quantitatively control the generated structure according to semantic conditions, and can also quantitatively predict complex microstructure features. The key results suggest the proposed 3DPmmGAN is a powerful tool to accelerate the preparation and the initial characterization of 3D porous media, and potentially maximize the design efficiency for porous media.

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