@article{StaabFolegatiWolfertzetal.2018,
  author    = {Staab, Thorsten E. M. and Folegati, Paola and Wolfertz, Iris and Puska, Martti J.},
  title     = {Stability of Cu-precipitates in Al-Cu alloys},
  series = {Applied Sciences},
  volume    = {8},
  journal   = {Applied Sciences},
  number    = {6},
  doi       = {10.3390/app8061003},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-176866},
  pages     = {1003},
  year      = {2018},
  abstract  = {We present first principle calculations on formation and binding energies for Cu and Zn as solute atoms forming small clusters up to nine atoms in Al-Cu and Al-Zn alloys. We employ a density-functional approach implemented using projector-augmented waves and plane wave expansions. We find that some structures, in which Cu atoms are closely packed on {100}-planes, turn out to be extraordinary stable. We compare the results with existing numerical or experimental data when possible. We find that Cu atoms precipitating in the form of two-dimensional platelets on {100}-planes in the fcc aluminum are more stable than three-dimensional structures consisting of the same number of Cu-atoms. The preference turns out to be opposite for Zn in Al. Both observations are in agreement with experimental observations.},
  language  = {en}
}