Monte Carlo Simulation of CuNi Nanoclusters: Surface Segregation Studies
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The Monte Carlo simulation studies of Cu-Ni nanoclusters were performed. The role of thermodynamic and geometric variables on the mixing of Cu and Ni atoms in nanoclusters was investigated. It was found that the geometric effects dominate on nanoclusters up to about 1000 atoms and above this size, thermodynamic effects result in the segregation behavior reported for Cu-Ni systems.
author list (cited authors)
Mainardi, D. S., & Balbuena, P. B.
complete list of authors
Mainardi, Daniela S||Balbuena, Perla B