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SUMMARY:Bottom Up Modelling of Liquid Crystals and Device Applications - C
 laudio Zannoni (Università di Bologna)
DTSTART:20190516T123000Z
DTEND:20190516T131000Z
UID:TALK124576@talks.cam.ac.uk
CONTACT:INI IT
DESCRIPTION:Liquid crystals (LC)\, with their unique combination of physic
 al properties\, offer an increasing number of novel fascinating applicatio
 ns ranging from optical and haptic displays to organic electronics devices
 \, waveguides etc... The variety of observables of interest\, and the comp
 lexity of LC mesogens require their bottom up modelling and computer simul
 ations to be performed at different (micro-\, nano- and Angstrom) length s
 cales\, that can be tackled respectively with lattice\, molecular and atom
 istic approaches. In the talk we plan to present some recent examples of a
 pplication of these different simulations.  In particular\, we show that M
 onte Carlo simulations of lattice models [1] can help investigating the st
 ructure of defects in photopatterned hybrid nematic films with different i
 n plane surface order [2]. A much more detailed\, atomistic level descript
 ion is instead required to try and understand the role of liquid crystal o
 rdering\, if present\, in rationalizing charge mobility in organic semicon
 ductors and\, possibly in designing better organic electronic materials. W
 e shall discuss\, in particular\, the proposed hypothesis [3] that a smect
 ic E organization is key to the unusually high performance of certain orga
 nic seminconductors\, e.g. Ph-BTBT-C10  [4].<br> [1]	C. Chiccoli\, L. R. E
 vangelista\, P. Pasini\, G. Ska&#x10D\;ej\, R. Teixeira de Souza and C. Za
 nnoni\, Scientific Reports\, 2018\, 8\, 2130. <br> [2]	C. Chiccoli\, P. Pa
 sini\, \, C. Zannoni\, G. Ska&#x10D\;ej\, H. Yoshida\,T. Hiroshima\, K. Su
 nami\, T. Ouchi\, and M. Ozaki\, submitted (2018)<br> [3]	H. Iino\, T. Usu
 i and J.-i. Hanna\, Nature Comm. 6\, 6828 (2015).<br> [4]	A. Baggioli\, M.
  Casalegno\, G. Raos\, L. Muccioli\, S. Orlandi\, and C. Zannoni submitted
  (2019).<br>
LOCATION:Seminar Room 1\, Newton Institute
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