Structural Segregation and Ordering of Trimetallic Cu-Ag-Au Nanoclusters

Liu, HB (Liu, H. B.); Espinosa-Medina, MA (Espinosa-Medina, M. A.); Sosa, E (Sosa, E.); Carbajal-De la Torre, G (Carbajal-De la Torre, G.)

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, 6 (10): 2224-2227 OCT 2009

DOI: 10.1166/jctn.2009.1277

Classic molecular dynamics simulations based on long range empirical potential were carried out on trimetallic Cu-Ag-Au nanoclusters. The structural segregation and ordering at finite temperatures were revealed. Cu and Ag tend to segregate and Au tends to solve into Cu and Ag without apparent segregation. Au solved in Cu is a little more than that solved in Ag. Cu-rich part tends to exist in the form of small separated clusters surrounding the central Ag-rich part. The melting temperature ranges of trimetallic cluster are also revealed.

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