par Atanasov, Ivaylo 
;Hou, Marc
Référence Physica status solidi. C, Current topics in solid state physics, 7, 11-12, page (2604-2607)
Publication Publié, 2010-11
;Hou, Marc Référence Physica status solidi. C, Current topics in solid state physics, 7, 11-12, page (2604-2607)
Publication Publié, 2010-11
Article révisé par les pairs
| Résumé : | We address the question of the sensitivity of the segregation and ordering properties to the surface energy of Au-Pd alloys and nanoalloys. To this purpose, the parameterization of an EAM potential fitted to the vacancy formation energy was modified in order to predict surface energies closer to the experimentally measured ones. Metropolis Monte Carlo sampling was used to predict segregation and ordering. We show in the detail that modifying the surface energies of Au and Pd by up to 50 percent and, their surface energy difference by about 35 percent is of no major importance for the ordering and segregation properties of nanostructured Au-Pd alloy surfaces. © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. |
