Sistema ETD

banca dati delle tesi e dissertazioni accademiche elettroniche

 

Tesi etd-01302008-165512


Tipo di tesi
Tesi di dottorato di ricerca
Autore
DE GAETANI, LUCA
URN
etd-01302008-165512
Titolo
Structure and dynamics of liquid crystals from computer simulation on simple and atomic-detail models
Settore scientifico disciplinare
CHIM/02
Corso di studi
SCIENZE CHIMICHE
Commissione
Relatore Prof. Tani, Alessandro
Relatore Prof. Maliniak, Arnold
Parole chiave
  • structure
  • smectic
  • potential
  • liquid crystals
  • dynamics
  • subdiffusion
Data inizio appello
28/02/2008;
Disponibilità
completa
Riassunto analitico
In this thesis we study structure and dynamics about atomistic detail liquid crystal belonging to nCB series and a simple model liquid crystal.
We payed particular attention in veryfing that little differences exist at the short range between nematic and isotropic phases; moreover we payed particular attention describing structural features of the so evanescen smectic B phase.
We focused our attention in microscopic mechanism of diffusion in smectic A, nematic and isotropic phases. A subdiffisuion behavior of translational and rotational degrees of freedom has been found for the nCB series. From the point of view of the theory, we adopted DFT theory with an extension of the Parsons Lee approach to model the phase diagram, while we exploited MAT (modified affine theory) to fit translational diffusion coefficients.
File