Molecular dynamics simulations of liquid crystalline dendritic architectures

BOURGOGNE, CYRIL; BURY, IZABELLA; GEHRINGER, LIONEL; ZELCER, ANDRÉS; CUKIERNIK, FABIO DANIEL; TERAZZI, EMMANUEL; DONNIO, BERTRAND; GUILLON, DANIEL

Advances in the Atomic-Scale Modeling of Nanosystems and Nanostructured Materials

Springer

Año: 2010; p. 99 - 122

We report here a few examples of the self-organisation 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-functionalised manganese clusters. The molecular organisation in lamellar or columnar phases occurs due to soft/rigid parts self-recognition, hydrogen-bonding networks or from the molecular shape intrinsically.