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Nonequilibrium molecular dynamics simulation of shear-induced alignment of amphiphilic model systems

MPG-Autoren
http://pubman.mpdl.mpg.de/cone/persons/resource/persons47977

Guo,  H. X.
MPI for Polymer Research, Max Planck Society;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons48227

Kremer,  Kurt
MPI for Polymer Research, Max Planck Society;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons48775

Soddemann,  T.
MPI for Polymer Research, Max Planck Society;

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Zitation

Guo, H. X., Kremer, K., & Soddemann, T. (2002). Nonequilibrium molecular dynamics simulation of shear-induced alignment of amphiphilic model systems. Physical Review E, 66(6): 061503.


Zitierlink: http://hdl.handle.net/11858/00-001M-0000-000F-6483-2
Zusammenfassung
We study the shear-induced alignment transition from transverse to the shear plane to parallel and perpendicular in a lamellar or smectics system. A recently proposed simple continuum model for amphiphiles is studied by large-scale nonequilibrium molecular dynamics simulation. We find a shear-rate dependence of the alignment transition under shear flow, parallel at low and perpendicular alignment at high shear rates. To identify the alignment and degree of order of these shear-induced orientations by scattering, a 3D analysis of the scattering data is needed.