Supplemental Material for paper : Microscopically - resolved simulations prove the existence of soft cluster crystals
نویسندگان
چکیده
A generic view of the amphiphilic dendrimer architecture, of the effective pair potential and of the hierarchical assembly of the molecules into a cluster crystal is shown in Fig. S1. We employ the dendrimer model already introduced before in Refs. [1, 2] and based on Ref. [3]. We study amphiphilic dendrimers of second generation which have two central monomers. The dendrimers’ 14 monomers are divided into two classes: the eight monomers of the outermost generation (g = 2) form the solvophilic shell of the dendrimer (index S), and all monomers of the interior generations (g = 0 and g = 1) form the solvophobic core (index C), resulting in amphiphilic dendrimers. Interactions between any two monomers, separated by a distance r are modeled by a Morse potential [3], which is given by
منابع مشابه
Microscopically resolved simulations prove the existence of soft cluster crystals.
We perform extensive monomer-resolved computer simulations of suitably designed amphiphilic dendritic macromolecules over a broad range of densities, proving the existence and stability of cluster crystals formed in these systems, as predicted previously on the basis of effective pair potentials [B. M. Mladek et al., Phys. Rev. Lett. 96, 045701 (2006)]. Key properties of these crystals, such as...
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