ALEUTIAN: Eutectic alloys developed by artificial intelligence and numerical computations

Coordinator: Guillaume DEFFRENNES

SIMaP – Sciences et Ingénierie, Matériaux, Procédés
(UMR 5266 CNRS/GrenobleINP/Univ. Grenoble Alpes)

Keywords: Alloy design, machine learning, high-throughput thermodynamic calculations, eutectic alloys, phase change materials, thermal energy storage, concentrated solar power, nuclear reactor coolants, metallic glasses, brazing alloys

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The ALEUTIAN project aims to develop a methodology for accelerating the development of metallic liquid alloys, such as eutectics. These alloys have applications in many fields, including brazing and the synthesis of metallic glasses, but also as materials for energy, as coolants in fast-neutron nuclear reactors, or as phase change materials (PCMs) for thermal energy storage.

Two complementary numerical approaches will be implemented for the design of liquid alloys using multi-criteria optimization. The first is based on the development of machine learning models to predict key alloy properties such as the melting point, solidification range and enthalpy of fusion. The second is based on high-throughput screening of Calphad thermodynamic databases. In both cases, the search will not be limited to a specific alloy family, since a variety of alloys can be suitable for each of the applications of liquid metals. The aim of the project is to develop a methodology applicable to all types of liquid metals, but the discovery of new PCMs for thermal energy storage in concentrated solar power plants is chosen as the main focus. The PCMs predicted to be the most promising will be synthesized, characterized, and their properties will be measured and compared with the predictions. The interactions and reactivity of the selected liquid metals with various materials that may be suitable containers will be studied and measured and solutions will be proposed. Finally, a technological demonstrator will be built to verify the applicability of the selected PCM/container couples for thermal energy storage in concentrated solar power plants.