Atomic-scale computer simulation for ternary alloy Ni-Cr-Al during early precipitation process

Zhong Chu, Zheng Chen, Yongxin Wang, Yanli Lu, Yongsheng Li

Research output: Contribution to journalArticlepeer-review

4 Scopus citations

Abstract

The aging behaviors of Ni-Cr-Al ternary alloy are studied at temperature 873 K based on the mean-field theory, and the early precipitation process is simulated at atomic-scale with microscopic phase-field model. The precipitation mechanism of the low supersaturated alloy Ni-12.2at. %Cr-7.8at. %Al is non-classical nucleation and growth, the L12 structure (Ni3Al) and D022 structure (Ni3Cr) phases precipitate simultaneously, a part of D022 phase transmits to L12 structure phase, and other part retains its previous structure. For high supersaturated alloy, congruent ordering appears first, then followed by spinodal decomposition, the nonstoicheometric ordered phases are produced in this process, which occurs before clustering. The precipitation mechanism of Ni-8at. %Cr-18at. %Al alloy is similar to Ni-10at. %Cr-12at. %Al alloy, but the ordering process of the former is ahead of the latter.

Original languageEnglish
Pages (from-to)656-660
Number of pages5
JournalProgress in Natural Science: Materials International
Volume15
Issue number7
DOIs
StatePublished - Jul 2005

Keywords

  • Microscope phase-field model
  • Ni-Cr-Al
  • Ordering parameter
  • Precipitation
  • Simulation.

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