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I consider a generic coarse-grained model suitable for the study of bulkself-assembly of liquid crystal (LC) macromolecules. The cases include LCdendrimers, gold nanoparticles modified by polymer chains with terminating LCgroups and others. The study is focused on the relation between a number ofgrafted chains, $N_{\rm ch}$, and the symmetry of the self-assembled bulkphases. Simple space-filling arguments are used first to estimate stabilityintervals for a rod-like, disc-like and spherulitic conformations in terms of$N_{\rm ch}$. These are followed by coarse-grained molecular dynamicssimulations for both spontaneous and aided self-assembly of LC macromoleculesinto bulk phases. In spontaneous self-assembly runs, essential coexistence ofrod-like and disc-like conformations is observed (via analysis of thehistograms for the molecular asphericity) in a broad interval of $N_{\rm ch}$,which prevents the formation of defect-free structures. The use of uniaxial andplanar aiding fields is found to improve self-assembly into monodomain phasesby promoting conformations of respective symmetry. Strong shape-phase relation,observed experimentally, is also indicated by the simulations by thecoincidence of the stability intervals for the respective conformations withthose for the bulk phases.

condensed matter physics

Relation between the grafting density of liquid crystal macromolecule  and the symmetry of self-assembled bulk phase: coarse-grained molecular  dynamics study