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Article Dans Une Revue Surface and Interface Analysis Année : 2007

Quenched molecular dynamics studies on the extraction energy of aluminum atoms

Résumé

The extraction energy of an aluminum atom is calculated at 0 K as a function of coordination number and defect depth for three surface orientations [(100), (110) and (111)]. For each orientation, atoms are selected and extracted one by one. A linear relationship is obtained between the extraction energy of surface atoms and their coordination numbers (with slight variations due to the geometrical configuration of the atoms). However, the study of the influence of the defect depth on the extraction energy highlights the role played by intrinsic stress on the extraction energy.

Domaines

Matériaux

Dates et versions

hal-00418030 , version 1 (17-09-2009)

Identifiants

Citer

Olivier Politano, V. Vignal, A. Perron. Quenched molecular dynamics studies on the extraction energy of aluminum atoms. Surface and Interface Analysis, 2007, 40, pp.320. ⟨10.1002/sia.2678⟩. ⟨hal-00418030⟩
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