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SUMMARY:Molecular and atomistic simulations of liquid crystals - Zannoni\,
  C (Universit di Bologna)
DTSTART:20130322T110000Z
DTEND:20130322T115000Z
UID:TALK44080@talks.cam.ac.uk
CONTACT:Mustapha Amrani
DESCRIPTION:Liquid crystals (LC) continue to offer a fascinating variety o
 f fundamental physics problems related to molecular organizations in the b
 ulk and their modifications close to interfaces [1]. Here we plan to show 
 some recent results for the simulation of these organizations at molecular
  and atomistic resolution. At molecular resolution we employ Gay-Berne mod
 els and report results for the shape\, internal order and chirality of fre
 ely suspended low molar mass nematic nanodroplets [2]. We also show that s
 ystems as complex as swollen LC elastomers and their deformation in respon
 se to the application of an electric field can be simulated [3]. At atomis
 tic level molecular dynamics simulations [4] can now predict actual morpho
 logies and properties in the bulk [4\,5] from a specific molecular structu
 re and they can also be useful to analyse NMR data [6\,7]. Having validate
 d simulations in the bulk\, we also investigate LC close to selected inter
 faces like hydrogen terminated silicon [1] and crystalline and glassy sili
 ca with controlled roughness [8]\, trying to show how orientational anchor
 ing can be introduced from the microscopic point of view probing the limit
 s of continuum theory on the nanoscale [9].\n\n1 A. Pizzirusso\, R. Berard
 i\, L. Muccioli\, M. Ricci\, C. Zannoni\, Chemical Science\,3\,573(2012) 2
  D. Vanzo\, M.Ricci\, R. Berardi\, C.Zannoni\, Soft Matter\, 8\, 11790(201
 2) 3 G. Skacej\, C.Zannoni\, PNAS\,109\,10193(2012) 4 G. Tiberio\, L. Mucc
 ioli\, R. Berardi\, C. Zannoni\, ChemPhysChem\, 10\, 125(2009) 5 M.F. Pale
 rmo\, A. Pizzirusso\, L. Muccioli\, C. Zannoni\, to be submitted (2013) 6 
 A.Pizzirusso\, M.B. Di Cicco\, G. Tiberio\, L. Muccioli\, R. Berardi\, C. 
 Zannoni\, J.Phys.Chem.B 116\,3760(2012) 7 A. C. J. Weber\, A. Pizzirusso\,
  L. Muccioli\, C. Zannoni\, W. L. Meerts\, C. A. de Lange\, E.E. Burnell\,
  J. Chem. Phys. 136\, 174506 (2012) 8 O. M. Roscioni\, L. Muccioli\, R. G.
  Della Valle\, A. Pizzirusso\, M. Ricci\, C. Zannoni\, to be submitted (20
 12) 9 M. Ruths\, B. Zappone\, Langmuir\, 28\, 8371 (2012).\n \n
LOCATION:Seminar Room 1\, Newton Institute
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