Title of article
On the pair-potential modelling of alloy surfaces
Author/Authors
Drautz، نويسنده , , Ralf and Fنhnle، نويسنده , , Manfred، نويسنده ,
Issue Information
هفته نامه با شماره پیاپی سال 2005
Pages
5
From page
108
To page
112
Abstract
The tendency of a minority atom to segregate to the surface of a diluted binary alloy is discussed by use of pair potentials and in combination with the cluster expansion method. By considering the system Ni90Al10(1 1 0) it is shown that modelling of alloy surfaces by perfectly transferable and hence environment independent pair potentials in general is not adequate.
Keywords
Construction and use of effective interatomic interactions , surface segregation , Alloys , Density functional calculations
Journal title
Surface Science
Serial Year
2005
Journal title
Surface Science
Record number
1685212
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