Fig. 3: Simulation snapshots and schematic representations of cluster-forming particles at different concentrations.
From: Self assembling cluster crystals from DNA based dendritic nanostructures
Top panel: the snapshots were produced by performing Monte Carlo simulations of point particles interacting by the model, cluster-forming potential \(v(r)=\varepsilon \exp [-{(r/\sigma )}^{4}]\) at temperature kBT/ε = 0.6, and densities ρσ3 as follows: a ρσ3 = 1.0, where a normal fluid is stable; b ρσ3 = 3.8, where a cluster fluid forms; c ρσ3 = 4.1, resulting into a cluster body-centered cubic (BCC) crystal. Each sphere represents a single building block. Bottom panel: schematic representation of the proposed concentration-dependent mechanism for the G1-P-G1 clustering in the absence of attractions, and, finally, the G1-P-G1 clusters crystallization into a BCC cluster crystal structure: d G1-P-G1 fluid; e polydisperse G1-P-G1 clusters with a core-shell architecture, in coexistence with non-aggregated species; f BCC crystal formed by monodipserse G1-P-G1 clusters. The characteristic lengths are also illustrated (Rc: cluster core radius; ds: cluster shell thickness; aBCC: BCC lattice constant; dNN: the nearest neighbor distance along with the room diagonal). Different colors for the Poxa block are added to assist in identifying individual G1-P-G1 molecules.
