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3D Multiphase Heterogeneous Microstructure Generation Using Conditional Latent Diffusion Models
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DOI：10.1039/D5DD00159E.png)
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Abstract
En 中文
The ability to generate 3D multiphase microstructures on-demand with targeted attributes can greatly accelerate the design of advanced materials. Here; we present a conditional latent diffusion model (LDM) framework that rapidly synthesizes high-fidelity 3D multiphase microstructures tailored to user specifications. Using this approach; we generate diverse two-phase and three-phase microstructures at high resolution (volumes of 128 X 128 X 64 voxels; representing >10^6 voxels each) within seconds; overcoming the scalability and time limitations of traditional simulation-based methods. Key design features; such as desired volume fractions and tortuosities; are incorporated as controllable inputs to guide the generative process; ensuring that the output structures meet prescribed statistical and topological targets. Moreover; the framework predicts corresponding manufacturing (processing) parameters for each generated microstructure; helping to bridge the gap between digital microstructure design and experimental fabrication. While demonstrated on organic photovoltaic (OPV) active-layer morphologies; the flexible architecture of our approach makes it readily adaptable to other material systems and microstructure datasets. By combining computational efficiency; adaptability; and experimental relevance; this framework addresses major limitations of existing methods and offers a powerful tool for accelerated materials discovery.
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