Molecular Dynamics Simulations of Liquid-Crystalline Dendritic Architectures

C. BOURGOGNE; I. BURY; L. GHERINGER; A. ZELCER; F. D. CUKIERNIK; E. TERAZZI; B. DONNIO; D. GUILLON

Atomic Scale Modeling of Nanosystems and Nanostructured Materials

Springer-Verlag

Lugar: Berlin Heidelberg; Año: 2010; p. 99 - 122

We report here a few examples of the self-organization behaviour of some novel materials based on liquid-crystalline dendritic architectures. The original design of the molecules imposes the use of all-atomic methods to model correctly every intra- and intermolecular effects. The selected materials are octopus dendrimers with block anisotropic side-arms, segmented amphiphilic block codendrimers, multicore and star-shaped oligomers, and multi-functionalized manganese clusters. The molecular organization in lamellar or columnar phases occurs due to soft/rigid parts self-recognition, hydrogen-bonding networks or from the molecular shape intrinsically.