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

Abstract

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