The rhombus configuration was very similar for all three metals, Figure . The evolution in morphology is further investigated by ab-inito molecular dynamics (aiMD) simulations for 15 ps at 600 K, a typical temperature in the CMOS processing, starting from the relaxed geometry of the clusters; our previous work only considered 5 ps simulations. Copper further transitions into a 3D morphology during the aiMD simulation. Figure shows the vertical movement for the atoms during the 600 K aiMD simulation. In less than 1 ps, an additional 5 Cu atoms migrated upwards, creating a significant second layer, shown in the snapshot in Figure . This configuration then undergoes minor rearrangements with fcc (111) facets forming on the sides of the Cu cluster. After ca. 9 ps an additional Cu migrates up to the second layer, Figure . This makes the second layer overcrowded and at ca. 10 ps a Cu atom migrates further upwards seeding a third copper layer. Even after this upwards migration, the second layer remains crowded with one of the atoms sitting on the outside of the cluster, at one of the (111) facets. This copper is quite mobile during the aiMD simulation, and it tries to migrate up to the 3 rd layer (Figure ). However, the Cu atom already on the third layer blocks the accessible site on this layer, forcing the migrating copper to stay on the outside through the remainder of the simulation ended. It is probable that the Cu atom in the third layer can move to another site, allowing the edge copper atom to migrate to the top layer, or that the edge atom can diffuse around the top atom to a stable site, Figure . After the aiMD simulation, the Cu-cluster structure displays a notable 3D island morphology with three distinct layers and clear facets forming along the cluster's edges. There are clearly mobile Cu atoms that migrate from the surface and over the copper layers and this migration is promoted by the strong copper-copper interactions compared to the copper-substrate interactions, as indicated by the tetramer cluster models. An additional Co atom attempts migrate upwards twice, at ca. 6 and 8 ps, but does not find a stable site on the second layer and finally remains in the first Co layer. After these 8 ps of vertical migration of Co, the cluster shows no further migration during the aiMD simulation, with no atoms reaching the third layer. The Co cluster showed less pronounced facet formation compared to Cu due to its lower hight.