Linking three-dimensional microstructure and nanoindentation hardness using machine learning

Communications Materials, vol. 7

Abstract

Abstract Understanding the relationship between microstructure and mechanical properties is crucial for the development of advanced materials. Unlike conventional two-dimensional (2D) characterization, three-dimensional (3D) techniques enable a more comprehensive understanding by revealing volumetric phase morphologies, spatial distributions, and interphase connectivity. This study proposes a workflow that integrates 3D visualization with nanoindentation to establish microstructure-mechanical property correlations. Two V-Si-B alloys were investigated. Automated serial sectioning was employed to reconstruct 3D microstructures for quantitative analysis. A machine learning (ML) model, trained on experimental nanoindentation data, was developed to predict localized hardness from microstructural images and to generate a 3D hardness distribution map. By correlating the 3D microstructural features with spatially resolved hardness, the approach uncovers how phase morphology and spatial arrangement govern overall material performance. This ML-based approach offers a data-driven pathway to link microstructure and mechanical property, supporting both material design and simulation-based studies.

Authors 4

1. R. Chen corresponding

   Forschungszentrum Jülich

   Affiliation as printed

   Forschungszentrum Jülich GmbH, Institute of Energy Materials and Devices, Structure and Function of Materials (IMD-1), Jülich, Germany

2. Steffen Brinckmann corresponding

   Forschungszentrum Jülich

   Affiliation as printed

   Forschungszentrum Jülich GmbH, Institute of Energy Materials and Devices, Structure and Function of Materials (IMD-1), Jülich, Germany

3. Weiguang Yang

   Forschungszentrum Jülich

   Affiliation as printed

   Forschungszentrum Jülich GmbH, Institute of Energy Materials and Devices, Structure and Function of Materials (IMD-1), Jülich, Germany

4. Ruth Schwaiger Aachen Chair of Energy Engineering Materials Faculty 5

   Forschungszentrum Jülich · RWTH Aachen University

   Affiliation as printed

   Chair of Energy Engineering Materials, Faculty 5, RWTH Aachen University, Aachen, Germany

   Forschungszentrum Jülich GmbH, Institute of Energy Materials and Devices, Structure and Function of Materials (IMD-1), Jülich, Germany