DOI: 10.1039/d3cp03294a ISSN:
The nitriding effect on the stability and mechanical properties of the iron titan phase: first-principles investigation
Andrey D. Ishkildin, Andrey A. Kistanov, Artem A. Izosimov, Elena A. Korznikova- Physical and Theoretical Chemistry
- General Physics and Astronomy
Using DFT-based calculations, it is shown that higher stability of FeTi can be achieved at a low concentration of nitrogen distributed in the alloy, while upon clustering of nitrogen, FeTi becomes more stable at higher concentrations of nitrogen.