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Alloying Effect on the Stability of Ti5Si3 from First‐Principles Study

Precipitation strengthening of silicides plays an important role in improving the creep resistance of high‐temperature titanium alloys. The oversize and concentrated silicides remarkably reduce the ductility of the alloys, which shorten the serving life of the key components in aerospace engines and gas turbines. To investigate the alloying effect on the stability of Ti5Si3, the enthalpy of solution for IIIB–VIB and IIIA–IVA elements in Ti5Si3, α matrix, and β phase are calculated and compared. It is proposed that Zr and Hf stabilize Ti5Si3 and promote the nucleation and refinement of silicide particles. The β stabilizers and simple metals destabilize Ti5Si3 and would suppress the precipitation of Ti5Si3.