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  • Title: Nonequilibrium molecular dynamics simulation of shear-induced alignment of amphiphilic model systems.
    Author: Guo H, Kremer K, Soddemann T.
    Journal: Phys Rev E Stat Nonlin Soft Matter Phys; 2002 Dec; 66(6 Pt 1):061503. PubMed ID: 12513288.
    Abstract:
    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.
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