Geometry optimisation of aluminium clusters using a genetic algorithm

For aluminium clusters in the 21-55 atom size regime, a number of different structural motifs are identified-fcc, hcp, decahedral and icosahedral structures. The larger clusters consist of hollow icosahedral geometric shells, with AI, having a centred icosahedral structure. The progress of the genetic algorithm is shown: Two selected parent clusters are cut at random and spliced to form the child cluster, whose fitness to act as a parent itself depends on its stability. Evolutionary Progress Plots reveals how these descendants evolve generation by generation towards the global minium.