par Kharlamov, Vladimir 
;Zhurkin, Evgeny ;Hou, Marc
Référence Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms, 193, 1-4, page (538-543)
Publication Publié, 2002-06
;Zhurkin, Evgeny ;Hou, Marc Référence Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms, 193, 1-4, page (538-543)
Publication Publié, 2002-06
Article révisé par les pairs
| Résumé : | The slowing down of Ni3Al clusters on a Al, Ni and Ni3Al (1 1 1) surfaces is studied by atomic scale modelling. The semi-grand canonical metropolis Monte Carlo is used for the preparation of isolated clusters at thermodynamic equilibrium. The cluster deposition on the surface is studied in detail by classical Molecular Dynamics simulations that include a model to account for electron-phonon coupling. Long- and short-range orders in the cluster are evaluated as functions of temperature in an impact energy range between 0 and 1.5 eV/atom. The interaction between the Ni3Al cluster and an Al surface is characterised low short range (chemical) disorder. No sizeable epitaxy is found, subsequent to the impact. In contrast, in the case of Ni and Ni3Al substrates, which are harder materials than aluminium, the chemical disorder is higher and epitaxial accommodation is possible. With these substrates, chemical disorder in the cluster is an increasing function of the impact energy, as well as of temperature when the impact energy is low enough. The cluster epitaxy is enhanced by both the temperature and the impact energy. A direct correlation between epitaxy and chemical disordering is found during the accommodation of the cluster with the surface. © 2002 Elsevier Science B.V. All rights reserved. |
