4.3 Article

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

Journal

Publisher

WILEY-V C H VERLAG GMBH
DOI: 10.1002/pssb.202100434

Keywords

alloying; creep resistance; DFT; enthalpy of solution; Ti5Si3

Funding

  1. National Natural Science Foundation of China [91860107, 52071315, 52001307]
  2. National Science and Technology Major Project [J2019-VI-0012-0126]
  3. China Postdoctoral Science Foundation [2019M661149]
  4. National key research and development program [2020YFB2008300, 2020YFB2008301]
  5. National Supercomputing Center in Zhengzhou

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Precipitation strengthening of silicides is important for improving the creep resistance of high-temperature titanium alloys. However, the oversize and concentrated silicides reduce the ductility of the alloys. It has been found that Zr and Hf stabilize Ti5Si3, promoting the nucleation and refinement of silicide particles, while beta stabilizers and simple metals destabilize Ti5Si3 and suppress its precipitation.
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, alpha matrix, and beta phase are calculated and compared. It is proposed that Zr and Hf stabilize Ti5Si3 and promote the nucleation and refinement of silicide particles. The beta stabilizers and simple metals destabilize Ti5Si3 and would suppress the precipitation of Ti5Si3.

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