First-principles calculations and phenomenological modeling of lattice misfit in Ni-base superalloys
โ Scribed by Tao Wang; Long-Qing Chen; Zi-Kui Liu
- Publisher
- Elsevier Science
- Year
- 2006
- Tongue
- English
- Weight
- 199 KB
- Volume
- 431
- Category
- Article
- ISSN
- 0921-5093
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
A first-principles method is employed to investigate the segregation behaviors of hydrogen and boron in Ni-based and Ni 3 Al-based alloys using two models. Chemical binding energy analysis shows that both boron and hydrogen are able to segregate to the interstices in the Ni phase, Ni 3 Al phase and
Studies of the lattice dynamics of La2CuO 4 and YBa2Cu307 using both a non-empirical ionic model and the linearized augmented plane wave (LAPW) method show that ionic contributions are important in the high temperature oxide superconductors. Preliminary frozen phonon calculations with the LAPW metho