Abstract
An ab initio study was carried out on coherent and semicoherent interfacial energies for fcc Fe/MCs (NaCl structure, M = Ti, Zr, Hf, V, Nb, Ta) systems. The group V transition metal carbides have lower coherent and semicoherent interfacial energies than group IV transition metal carbides. Also, the coherent interfacial energies for fcc Fe/MCs systems are lower than those for bcc Fe/MCs systems. The difference between semicoherent and coherent interfacial energy for fcc Fe/MC systems becomes largerasthe misfit increases. The semicoherent interfacial energies at relaxed interfaces Fe/TiC, Fe/ZrC, Fe/HfC, Fe/VC, Fe/NbC and Fe/TaC were 0.600 Jm-2, 0.661 Jm-2, 0.946 Jm -2, -0.050 Jm-2, 0.320 Jm-2 and 0.380 Jm -2, respectively. In order to maximize precipitation strengthening effect in austenitic steel, VC is the most favorable precipitate under consideration.
| Original language | English |
|---|---|
| Article number | 075008 |
| Journal | Modelling and Simulation in Materials Science and Engineering |
| Volume | 18 |
| Issue number | 7 |
| DOIs | |
| Publication status | Published - Oct 2010 |
Fingerprint
Dive into the research topics of 'Ab initio calculation of interfacial energies between transition metal carbides and fcc iron'. Together they form a unique fingerprint.Cite this
- APA
- Author
- BIBTEX
- Harvard
- Standard
- RIS
- Vancouver