arXiv:2409.02648cond-mat.mtrl-scics.CV2024-09

用深度学习构建含丰富材料信息的微观结构潜空间,实现多相合金精准设计。

Creating a Microstructure Latent Space with Rich Material Information for Multiphase Alloy Design

  • 基于变分自编码器将真实微观结构映射到潜空间,保留多相合金关键信息。
  • 在潜空间中采样并预测成分、工艺和性能,设计出统一双相钢且性能达标。
  • 潜空间可无缝插值,适合需要高精度微结构-性能关联的研究者使用。

复杂的微观结构是多相合金中成分/工艺-结构-性能(CPSP)关系的核心。传统合金设计方法常忽略微观细节,降低了结果的可靠性与有效性。本研究提出一种改进的合金设计算法,融合真实的微观结构信息以建立精确的CPSP关系。该方法基于变分自编码器(VAE)的深度学习框架,将真实微观结构数据映射至潜空间,从而实现从潜空间向成分、加工步骤及材料性能的预测。通过在潜空间中结合特定采样策略,开发出一种以微观结构为中心的新一代多相合金设计算法。该算法在统一双相钢的设计中得到验证,并在三个性能层级上进行评估。此外,对模型潜空间的探索揭示了其出色的插值能力与丰富的材料信息表达。当前潜空间配置特别适用于合金设计,能够全面表征多相合金中微观结构、成分、工艺和性能的多样化变化。

原文摘要 · Abstract (English)

The intricate microstructure serves as the cornerstone for the composition/processing-structure-property (CPSP) connection in multiphase alloys. Traditional alloy design methods often overlook microstructural details, which diminishes the reliability and effectiveness of the outcomes. This study introduces an improved alloy design algorithm that integrates authentic microstructural information to establish precise CPSP relationships. The approach utilizes a deep-learning framework based on a variational autoencoder to map real microstructural data to a latent space, enabling the prediction of composition, processing steps, and material properties from the latent space vector. By integrating this deep learning model with a specific sampling strategy in the latent space, a novel, microstructure-centered algorithm for multiphase alloy design is developed. This algorithm is demonstrated through the design of a unified dual-phase steel, and the results are assessed at three performance levels. Moreover, an exploration into the latent vector space of the model highlights its seamless interpolation ability and its rich material information content. Notably, the current configuration of the latent space is particularly advantageous for alloy design, offering an exhaustive representation of microstructure, composition, processing, and property variations essential for multiphase alloys.

合金设计潜空间深度学习微观结构

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