Institute of Physics of Materials AS CR, v. v. i. > Projects > Theory-guided design of novel Fe-Al-based superalloys
Theory-guided design of novel Fe-Al-based superalloys
|Mgr. Martin Friák, Ph.D.
|Number of Project
|Grantová agentura České republiky
|2016-12-31 - 2019-12-30
|The proposed project innovatively combines advanced theoretical and experimental tools in designing novel Fe-Al-based superalloys. In contrast to previous attempts, experimental times and costs associated with casting and testing of numerous solute variations will be significantly reduced by primarily using a multi-methodological combination of theoretical tools: (i) quantum-mechanical calculations, (ii) atomistic simulations and (iii) thermodynamic CALPHAD modeling. The most promising theoretically proposed materials will be synthesized and their structure, phase composition and physical properties studied by a number of experimental methods at both room and low temperatures. The aim will be to deepen our understanding of interplay among the atomic order, microstructure, and phase composition. The obtained knowledge will be used in investigation of mechanical properties at room temperature (e.g., hardness, elasticity, formability) as well as at elevated temperatures (creep), when the detected data will be analyzed using advanced rheological models.