**************** The 4th., Lab Seminar ****************************

Date: Thu, June 11, 2009  PM 2:30-

Place: No.616 Seminar room
　　　　　　 Graduate School of Information Science


Speaker: Yusuke Ohta

Title: Computer Simulation Studies of PEO/Layer Silicate Nanocomposites
Hackett, E.; Manias, E.; Giannelis, E.P.,
Chem. Mater., 2000, 12, 2161.

Monte Carlo and molecular dynamics computer simulations
are used to explore the atomic scale structure and dynamics of
intercalated PEO/silicate nanocomposites.   Particular attention
is paid to the configuration of the polymer within
these confined spaces.   The cations primarily reside near
the silicate surface.   Molecular dynamics simulations also
provide information on the interlayer mobility Li+ ions.

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