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SUMMARY:Molecular modeling of liquid crystal elastomers - Skacej\, G (Univ
 ersity of Ljubljana)
DTSTART:20130321T140000Z
DTEND:20130321T145000Z
UID:TALK44058@talks.cam.ac.uk
CONTACT:Mustapha Amrani
DESCRIPTION:Liquid crystal elastomers (LCE) are functional materials consi
 sting of weakly crosslinked polymer networks with embedded liquid crystall
 ine (mesogenic) molecules. Consequently\, LCE are characterized by a prono
 unced coupling between macroscopic strain and orientational mesogenic orde
 r. As the latter can be controlled by external stimuli such as temperature
 \, electric field\, or ultraviolet light\, LCE have great potential for ap
 plication as sensors and actuators. \n\nHere large-scale molecular simulat
 ions of swollen main-chain LCE will be presented. The simulated experiment
 s include temperature scans\, stress-strain runs\, and the application of 
 an external electric field. Our isostress Monte Carlo simulations are capa
 ble of reproducing isotropic\, nematic and smectic phases\, as well as a s
 tress-induced isotropic-to-nematic transition. Moreover\, a transversal el
 ectric field is seen to induce nematic director rotation resulting in orie
 ntational stripe domains. The role of sample swelling has been explored as
  well. \n\nThe simulation output has also been used to connect to typical 
 experimental observables\, such as sample dimensions\, specific heat\, deu
 terium magnetic resonance spectra\, and scattered X-ray patterns.\n\n
LOCATION:Seminar Room 1\, Newton Institute
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