First-Principles Study of Chemical Driving Force for Face Centered Cubic to Hexagonal Close Packed Martensitic Transformation in Hydrogen-Charged Iron.
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| Title: | First-Principles Study of Chemical Driving Force for Face Centered Cubic to Hexagonal Close Packed Martensitic Transformation in Hydrogen-Charged Iron. |
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| Authors: | Kuroki, Y.1, Kawano, S.1, Iikubo, S.1, Ohtani, H.2, Koyama, M.3, Tsuzaki, K.3,4 |
| Source: | Metallurgical & Materials Transactions. Part A. Jul2019, Vol. 50 Issue 7, p3019-3023. 5p. 2 Diagrams, 2 Graphs. |
| Subjects: | Steel testing, Hydrogen content of steel, Martensitic transformations, Crystal structure, Hexagonal close packed structure, Axioms |
| Abstract: | 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. [ABSTRACT FROM AUTHOR] |
| Copyright of Metallurgical & Materials Transactions. Part A is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
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