TY - CONF A1 - Elfetni, Seif A1 - Darvishi Kamachali, Reza T1 - Application of deep learning to multi-phase-field modelling and simulation N2 - Recent advances in Deep Learning (DL) have significantly impacted the field of materials modelling. DL tools have been recently considered as promising tools to address the complex relationships among processing, microstructure and property of materials. The thermal stability of polycrystalline materials is a highly interesting and complex problem that could be addressed using DL techniques. The Multi-Phase-Field (MPF) method has emerged as a powerful tool for addressing grain growth phenomena from multiple perspectives. Unlike sharp-interface based methods, the MPF approach bypasses the need for detailed information on individual grains. In this work, we use DL to address issues related to MPF simulations of grain growth including numerical efficiency, computing speed, and resource consumption. This presents specific challenges for high-performance computing (HPC) due to the large datasets and complex computations required by both MPF and DL methods. We study various 3D microstructure settings with the goal of accelerating the simulation process while exploring different physical effects. In particular, the impact of grain boundary and triple junction energies on grain growth are to be investigated. The results will be presented in terms of the evolving size and shape distribution of the grains. T2 - Euromat 2023 CY - Frankfurt a. M., Germany DA - 03.09.2023 KW - Phase-Field Simulation KW - Microstructure Evolution KW - Physics-informed Neural Network KW - Machine Learning PY - 2023 AN - OPUS4-58225 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Lehmusto, Juho T1 - The effect of humidity on the initial oxidation of the refractory high-entropy superalloy AlMo0.5NbTa0.5TiZr N2 - Unlike conventional alloys, which typically consist of one main element, high-entropy alloys (HEAs) contain five or more principal elements. When compared with conventional alloys, HEAs may possess desirable properties such as improved strength/hardness, remarkable wear resistance, high structural stability, and notable oxidation resistance. However, due to the numerous possibilities of alloy composition, only a small fraction of HEAs has been characterized in terms of their mechanical and chemical properties. A refractory high-entropy superalloy AlMo0.5NbTa0.5TiZr, with its superalloy-like microstructure, belongs to the first group of a subclass of such Al-containing refractory HEAs that has recently drawn attention. The alloy has a nanoscale microstructure consisting of B2 and bcc phases, enabling high-temperature compressive strengths beyond conventional Ni-based alloys. This feature could improve turbine efficiency in the aerospace and power production industries. However, the microstructure has been reported to be sensitive to heat treatment after which it loses mechanical performance when the intragranular hexagonal Al-Zr-based intermetallic forms. This might be connected with the phase stability in the material. Then again, the addition of Al has been reported to improve the oxidation resistance of the material, but also that HEA materials tend to show pronounced zones of internal aging caused by diffusion during oxidation. These previous results imply that further research on the thermodynamic stability of the alloy is required. Furthermore, the oxidation behavior (both external and internal) and the role of humidity in the process are not fully understood. With such a multi-component material, the grain boundaries are expected to play a key role in the oxidation process, serving as short-circuit pathways for diffusion. To shed more light on the oxidation behavior of the AlMo0.5NbTa0.5TiZr alloy, experiments were carried out for 24 hours at 800 °C under both dry (21% O2 + 79% N2) and humid (8% O2 + 74% N2 + 18% H2O) atmospheres. After the experiments, the samples were characterized with XRD, SEM-EDS, and EPMA. The alloy oxidized rapidly under both studied atmospheres, resulting in a visibly oxidized region with a thickness of around 1.5 microns (dry) and 3.8 microns (humid). The porosity of the oxidized regions differs from one another: a thin layer of pores was detected in the outermost part of the oxidized zone under dry conditions, whereas the pores were distributed throughout the oxidized zone under humid conditions. Furthermore, the presence of humidity affected the phase formation. The grain boundaries, while still recognizable, differed visually from the grains in the as-received material, indicating the active role of grain boundaries during the oxidation. In addition, in the exposed samples, cracks along the grain boundaries were detected. Interestingly, cracks were also located within the grains. This could originate from the diffusion of species from the grains to the grain boundaries, which has changed the composition of grains. As a consequence, cracks formed most likely during cooling due to the Pilling-Bedworth effect. The formation of cracks suggested that the macro-scale homogeneity of the material may change during operation at high temperatures due to the active grain boundaries. T2 - High Temperature Corrosion and Oxidation 2023 Workshop CY - Marktheidenfeld, Germany DA - 25.09.2023 KW - High-Entropy superalloy KW - Oxidation behavior KW - Grain boundaries KW - Microstructure Evolution KW - High-Temperature Performance PY - 2023 AN - OPUS4-63850 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -