Afrl-rx-wp-ja-2014-0167 First-principles Study of Interfacial Boundaries in Ni – Ni 3 Al ( Postprint )

@inproceedings{Woodward2014Afrlrxwpja20140167FS,
  title={Afrl-rx-wp-ja-2014-0167 First-principles Study of Interfacial Boundaries in Ni – Ni 3 Al ( Postprint )},
  author={Christopher F. Woodward},
  year={2014}
}
The width and energy of low-index interfacial boundaries (IFBs) in Ni–Ni3Al are calculated using first-principles methods for temperatures ranging from 0 to 1300 K. The low-temperature, coherent and chemically sharp (100), (110) and (111) IFBs are studied using conventional spin-polarized density functional methods. Cluster expansion methods, as implemented… CONTINUE READING