Vacancy at stacking fault-assisted nucleation of transition-metal carbides and nitrides in Fcc-Fe

• Published in: Applied physics. A, Materials science & processing Vol. 129; no. 4
• Main Authors: Liu, Si, Zhang, Caili, Zhang, Yi, Ren, Junyu, Ma, Jinyao, Li, Huabing, Jiang, Zhouhua, Han, Peide
• Format: Journal Article
• Language: English
• Published: Berlin/Heidelberg Springer Berlin Heidelberg 01.04.2023; Springer Nature B.V
• Subjects: Applied physics; Austenitic stainless steels; Carbon nitride; Characterization and Evaluation of Materials; Chromium; Condensed Matter Physics; Copper; Corrosion resistance; Corrosion resistant steels; First principles; Iron; Machines; Manufacturing; Materials science; Metal carbides; Molybdenum; Nanotechnology; Nickel; Niobium; Nucleation; Optical and Electronic Materials; Physics; Physics and Astronomy; Precipitates; Precipitation hardening; Processes; Stacking faults; Surfaces and Interfaces; Thin Films; Titanium; Transition metals; Stacking fault; Precipitation; Segregation; Vacancy; Austenitic steel; First principle
• ISSN: 0947-8396; 1432-0630
• DOI: 10.1007/s00339-023-06446-y

The occupation tendencies of Cr, Cu, Mo, Nb, Ni, Ti and V in Fcc-Fe stacking fault containing vacancy were studied by the first principles calculations. The effects of C, N and Nb, Ti co-segregation in the region of vacancy is discussed. The results are as follows: the substitutional elements Cr, Cu, Mo, Ni, Nb, Ti and interstitial elements C, N have no segregation tendency at the stacking fault of Fcc-Fe (111) plane. When the stacking fault contains vacancy, the above elements have the tendency to segregate around the vacancy, and C, N tend to occupy vacancy and their segregation tendency is the stronger than that of substitutional elements. C, N are easily co-segregated with Nb, Ti in the region of vacancy. It is difficult for Mo to aggregate around the carbonitride precipitates, which is conducive to the use of nano-scale carbide and nitride precipitation strengthening in high Mo austenitic steel, and simultaneously improves corrosion resistance. Nb and Ti tend to aggregate around the vacancy where occupied by C, N.