A computer simulation study of the ground-state configurations of Fe and Fe-Al clusters

摘要: Using the noncentral embedded atom model potential recently proposed by Besson and Morillo for \(\) bulk alloys (\(\)), we performed computer simulations to predict ground-state configurations of clusters (\(\)). The computed structures are in general agreement with such theoretical results as have been obtained density functional calculations (i.e. \(\)). Fe-rich show surface segregation Al, which is keeping findings a previous study clusters.