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DFT study on the mechanism of inclusion-induced initial pitting corrosion of Al-Ti-Ca complex deoxidized steel with Ce treatment
- Source :
- Physica B: Condensed Matter. 558:10-19
- Publication Year :
- 2019
- Publisher :
- Elsevier BV, 2019.
-
Abstract
- The mechanism of inclusion-induced initial pitting corrosion of Al-Ti-Ca complex deoxidized steel with Ce treatment was studied by the experimental investigation and theoretical calculation. To figure out which phases of complex inclusion containing different components induced initial pitting corrosion, the scanning electron microscope (SEM) analysis, the continuous immersion experiments and density functional theory (DFT) calculation were conducted. Two types of inclusions and different pit morphologies were observed. The pit initially occurred at the sulfide inclusions (MnS and Ce2O2S) rather than the steel matrix due to the lower the electronic work function (EWF) of this compound compare to the steel matrix and other phases. In addition, the Ce-rich inclusion possessed the higher pitting corrosion resistance than the same type of inclusions. Finally, a schematic diagram was established to explain the mechanism of the different inclusions in initiating and proceeding pitting corrosion.
- Subjects :
- 010302 applied physics
chemistry.chemical_classification
Materials science
Sulfide
Scanning electron microscope
Metallurgy
02 engineering and technology
engineering.material
021001 nanoscience & nanotechnology
Condensed Matter Physics
01 natural sciences
Electronic, Optical and Magnetic Materials
chemistry
Deoxidized steel
0103 physical sciences
engineering
Pitting corrosion
Density functional theory
Work function
Electrical and Electronic Engineering
Inclusion (mineral)
0210 nano-technology
Subjects
Details
- ISSN :
- 09214526
- Volume :
- 558
- Database :
- OpenAIRE
- Journal :
- Physica B: Condensed Matter
- Accession number :
- edsair.doi...........2dd2c54c91edd8c2f0a7eae8d94fb4e9