martensite
Physics-Informed Machine Learning for Steel Development: A Computational Framework and CCT Diagram Modelling
Hedström, Peter, Cubero, Victor Lamelas, Sigurdsson, Jón, Österberg, Viktor, Kolli, Satish, Odqvist, Joakim, Hou, Ziyong, Mu, Wangzhong, Arigela, Viswanadh Gowtham
Machine learning (ML) has emerged as a powerful tool for accelerating the computational design and production of materials. In materials science, ML has primarily supported large-scale discovery of novel compounds using first-principles data and digital twin applications for optimizing manufacturing processes. However, applying general-purpose ML frameworks to complex industrial materials such as steel remains a challenge. A key obstacle is accurately capturing the intricate relationship between chemical composition, processing parameters, and the resulting microstructure and properties. To address this, we introduce a computational framework that combines physical insights with ML to develop a physics-informed continuous cooling transformation (CCT) model for steels. Our model, trained on a dataset of 4,100 diagrams, is validated against literature and experimental data. It demonstrates high computational efficiency, generating complete CCT diagrams with 100 cooling curves in under 5 seconds. It also shows strong generalizability across alloy steels, achieving phase classification F1 scores above 88% for all phases. For phase transition temperature regression, it attains mean absolute errors (MAE) below 20 °C across all phases except bainite, which shows a slightly higher MAE of 27 °C. This framework can be extended with additional generic and customized ML models to establish a universal digital twin platform for heat treatment. Integration with complementary simulation tools and targeted experiments will further support accelerated materials design workflows.
Semantic segmentation of SEM images of lower bainitic and tempered martensitic steels
Bie, Xiaohan, Arthanari, Manoj, de Melo, Evelin Barbosa, Li, Juancheng, Yue, Stephen, Brahimi, Salim, Song, Jun
This study employs deep learning techniques to segment scanning electron microscope images, enabling a quantitative analysis of carbide precipitates in lower bainite and tempered martensite steels with comparable strength. Following segmentation, carbides are investigated, and their volume percentage, size distribution, and orientations are probed within the image dataset. Our findings reveal that lower bainite and tempered martensite exhibit comparable volume percentages of carbides, albeit with a more uniform distribution of carbides in tempered martensite. Carbides in lower bainite demonstrate a tendency for better alignment than those in tempered martensite, aligning with the observations of other researchers. However, both microstructures display a scattered carbide orientation, devoid of any discernible pattern. Comparative analysis of aspect ratios and sizes of carbides in lower bainite and tempered martensite unveils striking similarities. The deep learning model achieves an impressive pixelwise accuracy of 98.0% in classifying carbide/iron matrix at the individual pixel level. The semantic segmentation derived from deep learning extends its applicability to the analysis of secondary phases in various materials, offering a time-efficient, versatile AI-powered workflow for quantitative microstructure analysis.
A Physics-Based Hybrid Dynamical Model of Hysteresis in Polycrystalline Shape Memory Alloy Wire Transducers
Mandolino, M., Scholtes, D., Ferrante, F., Rizzello, G.
Shape Memory Alloys (SMAs) are a class of smart materials that exhibit a macroscopic contraction of up to 5% when heated via an electric current. This effect can be exploited for the development of novel unconventional actuators. Despite having many features such as compactness, lightweight, and high energy density, commercial SMA wires are characterized by a highly nonlinear behavior, which manifests itself as a load-, temperature-, and rate-dependent hysteresis exhibiting a complex shape and minor loops. Accurate modeling and compensation of such hysteresis are fundamental for the development of high-performance SMA applications. In this work, we propose a new dynamical model to describe the complex hysteresis of polycrystalline SMA wires. The approach is based on a reformulation of the Muller-Achenbach-Seelecke model for uniaxial SMA wires within a hybrid dynamical framework. In this way, we can significantly reduce the numerical complexity and computation time without losing accuracy and physical interpretability. After describing the model, an extensive experimental validation campaign is carried out on a 75 {\mu}m diameter SMA wire specimen. The new hybrid model will pave the development of hybrid controllers and observers for SMA actuators.
Steel Phase Kinetics Modeling using Symbolic Regression
Piringer, David, Bloder, Bernhard, Kronberger, Gabriel
We describe an approach for empirical modeling of steel phase kinetics based on symbolic regression and genetic programming. The algorithm takes processed data gathered from dilatometer measurements and produces a system of differential equations that models the phase kinetics. Our initial results demonstrate that the proposed approach allows to identify compact differential equations that fit the data. The model predicts ferrite, pearlite and bainite formation for a single steel type. Martensite is not yet included in the model. Future work shall incorporate martensite and generalize to multiple steel types with different chemical compositions.