Fig. 2: Toy model for self-assembly of non-spherically symmetric building blocks.
From: A computational toolbox for the assembly yield of complex and heterogeneous structures
a The two monomer types are shown; each colored patch of the first monomer is attracted by the corresponding colored patch of the second monomer by a Morse potential (see “Methods—Details of the pair potential”). The total attractive potential of the cluster is given by E0 = 3Eb where Eb is the strength of each patch. b Comparison between theoretical and simulation yield for the dimeric state (when the two monomers are attached to each other). The number of building blocks of each type is N1 = N2 = 9 and the volume of the system is V = 18, 000d3 where d = 1 is the diameter of the gray spheres. The interaction range was set to 8/α = 8d/5. Error bars represent standard error over n = 10 simulations, where the error is measured relative to the mean. The theoretical yield shown is computed in the canonical ensemble (see Supplemental section E). All simulations were performed in the HOOMD-blue simulation package33.
