We present an atomistic molecular dynamics simulation of freely suspended films of the smectic liquid crystal 8CB formed by n(l) = 2, 3,...,10, 20 theoretical monolayers, determining their orientational and positional order as a function of the film thickness. We find that films are always composed by bilayers of antiparallel molecules, and that in the case of odd n(l), the system prefers to self-assemble in (n(l) + 1)/2 bilayers, with an increase of surface tension with respect to even n(l) samples. We also show that external layers have higher positional and orientational order, and that upon heating the disordering of the system proceeds from the inside, with the central layers progressively losing their smectic character, while the external ones are more resistant to temperature changes and keep the film from breaking.

Palermo, M.F., Muccioli, L., Zannoni, C. (2015). Molecular organization in freely suspended nano-thick 8CB smectic films. An atomistic simulation. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 17(39), 26149-26159 [10.1039/c5cp04213e].

Molecular organization in freely suspended nano-thick 8CB smectic films. An atomistic simulation

PALERMO, MATTIA FELICE;MUCCIOLI, LUCA;ZANNONI, CLAUDIO
2015

Abstract

We present an atomistic molecular dynamics simulation of freely suspended films of the smectic liquid crystal 8CB formed by n(l) = 2, 3,...,10, 20 theoretical monolayers, determining their orientational and positional order as a function of the film thickness. We find that films are always composed by bilayers of antiparallel molecules, and that in the case of odd n(l), the system prefers to self-assemble in (n(l) + 1)/2 bilayers, with an increase of surface tension with respect to even n(l) samples. We also show that external layers have higher positional and orientational order, and that upon heating the disordering of the system proceeds from the inside, with the central layers progressively losing their smectic character, while the external ones are more resistant to temperature changes and keep the film from breaking.
2015
Palermo, M.F., Muccioli, L., Zannoni, C. (2015). Molecular organization in freely suspended nano-thick 8CB smectic films. An atomistic simulation. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 17(39), 26149-26159 [10.1039/c5cp04213e].
Palermo, Mattia Felice; Muccioli, Luca; Zannoni, Claudio
File in questo prodotto:
Eventuali allegati, non sono esposti

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11585/527085
 Attenzione

Attenzione! I dati visualizzati non sono stati sottoposti a validazione da parte dell'ateneo

Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 16
  • ???jsp.display-item.citation.isi??? 15
social impact