Novel integrated computational approach for designing Fe-Ni-based alloys
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A novel computational approach for designing high temperature alloys is proposed; the approach incorporates properties prediction and optimisation. As for properties prediction, microstructural parameters, such as the volume fraction and precipitate size after heat treatment (replicating the service conditions of automobile sealing parts) were thermokinetically calculated by adopting phase transformation software. The associated yield stress was then predicted using classical strengthening theories: solid solution, grain boundary and precipitation strengthenings. These calculations were integrated with a genetic algorithm (GA) for searching the optimal chemical compositions considering not only the strength after a long time heat treatment but also cost and producibility constraints. The calculation parameters for the GA, such as population size and mutation ratio, were also considered.
The alloy designed by the computer-aided approach described above was produced and validated. The designed alloy (Fe-opt) whose composition is Fe-33Ni-15.5Cr-1.6Al-0.3Nb-2.8Ti-3.7W-0.9Co-0.01C are proved to have the high strength after a long time high temperature exposure due to finely dispersed precipitates,