Employing deep learning in non-parametric inverse visualization of elastic–plastic mechanisms in dual-phase steels

Siyu Han, Chenchong Wang, Yu Zhang, Wei Xu, Hongshuang Di
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Abstract

Enhancing the interpretability of machine learning methods for predicting material properties is a key, yet complex topic in materials science. This study proposes an interpretable convolutional neural network (CNN) to establish the relationship between the microstructural evolution and mechanical properties of non-uniform and nonlinear multisystem dual-phase steel materials and achieve an inverse analysis of the elastic-plastic mechanism. This study demonstrates that the developed CNN model achieves an accuracy of 94% in predicting the stress-strain curves of dual-phase steel microstructures with different compositions and processes, with the mean absolute error not exceeding 50 MPa, representing merely 5.26% of the average tensile strength of dual-phase steels in the dataset. The reverse visualization results of the CNN model indicate that, during tensile deformation, the grain boundaries maintain deformation coordination within the grains by impeding dislocation slip. This results in a significant stress concentration at the grain boundaries, with stresses at the boundaries being higher than those borne by the martensitic phase and minimal stresses in the ferrite phase. Moreover, compared with traditional crystal plasticity models, the CNN model exhibits a substantial improvement in computational efficiency. This method provides a generic plan for improving the interpretability of machine learning methods for predicting material properties and can be easily applied to other alloy systems.

Abstract Image

在双相钢弹塑性机理的非参数逆可视化中运用深度学习
提高预测材料性能的机器学习方法的可解释性是材料科学中一个关键而又复杂的课题。本研究提出了一种可解释的卷积神经网络(CNN),用于建立非均匀和非线性多系统双相钢材料的微观结构演变与力学性能之间的关系,并实现弹塑性机理的逆分析。研究表明,所开发的 CNN 模型在预测不同成分和工艺的双相钢微结构的应力-应变曲线时,准确率达到 94%,平均绝对误差不超过 50 兆帕,仅占数据集中双相钢平均抗拉强度的 5.26%。CNN 模型的反向可视化结果表明,在拉伸变形过程中,晶界通过阻碍位错滑移来保持晶粒内部的变形协调。这导致晶界处出现明显的应力集中,晶界处的应力高于马氏体相所承受的应力,而铁素体相的应力则很小。此外,与传统的晶体塑性模型相比,CNN 模型的计算效率有了大幅提高。这种方法为提高预测材料性能的机器学习方法的可解释性提供了通用方案,并可轻松应用于其他合金体系。
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