This study uses first-principles calculations to investigate the effect of hydrogen on the chemical driving force of the transformation of iron from the face centered cubic (FCC) to hexagonal close packed (HCP) phase. The minimum energy path from FCC to HCP phases shows that FCC becomes stable with increasing hydrogen content. Furthermore, the energy difference between the FCC and HCP phases is observed to be smaller in Fe2H than in Fe throughout the temperature region. These results clearly explain the observed anomalous suppression of the martensitic transformation in the hydrogen-charged steel.
|Number of pages||5|
|Journal||Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science|
|Publication status||Published - 2019 Jul 15|
ASJC Scopus subject areas
- Condensed Matter Physics
- Mechanics of Materials
- Metals and Alloys