Exploration of phase stability, functional and mechanical properties in refractory- and noble-metal-based multiple-principal element alloys

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The concept of multiple-principal element alloys (MPEAs) opens up an almost unlimited composition space for new materials, which cannot be explored efficiently by conventional methods. Therefore, this project combines physical metallurgy, data analysis, and high-throughput computational and experimental methods to identify the most promising candidates in refractory- and noble metal-based MPEAs out of a set of 20 elements. Our aim is to realize new MPEAs with exceptional functional (electrical, chemical) and mechanical properties, such as high strength and ductility combined with good electrical conductivity, that are applicable in harsh environment. To reach these goals, a materials design cycle will be employed that comprises data aggregation and analysis, modeling, alloy selection, combinatorial synthesis and high-throughput characterization of thin film MPEA materials libraries, and high-throughput density functional theory calculations. Chemical (composition), structural (phase, microstructure), electrical (resistivity) and mechanical properties (Young’s modulus, hardness) will be measured using high-throughput characterization systems. The most promising MPEAs will be fabricated as homogeneous films with higher thickness. These samples will be studied in greater detail, e.g. for high temperature mechanical properties. The results will be visualized in multi-dimensional functional phase diagrams and disseminated in a database.