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
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
Journal title :
Surface Science
