Roughening of close-packed singular surfaces

F. Trudu; V. Fiorentini; P. Ruggerone; U. Hansen

doi:10.1103/PhysRevB.63.153402

Roughening of close-packed singular surfaces

Materials Science 2009-10-31 v1

Authors: F. Trudu , V. Fiorentini , P. Ruggerone , U. Hansen

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Abstract

An upper bound to the roughening temperature of a close-packed singular surface, fcc Al (111), is obtained via free energy calculations based on thermodynamic integration using the embedded-atom interaction model. Roughening of Al (111) is predicted to occur at around 890 K, well below bulk melting (933 K), and it should therefore be observable, save for possible kinetic hindering.

Cite

@article{arxiv.cond-mat/0010284,
  title  = {Roughening of close-packed singular surfaces},
  author = {F. Trudu and V. Fiorentini and P. Ruggerone and U. Hansen},
  journal= {arXiv preprint arXiv:cond-mat/0010284},
  year   = {2009}
}

Comments

RevTeX 4 pages, embedded figures

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