Microscopic-Macroscopic Simulations of Rigid-Rod Polymer Hydrodynamics: Heterogeneity and Rheochaos

M. Gregory Forest, Ruhai Zhou, Qi Wang
2007 Multiscale Modeling & simulation  
Rheochaos is a remarkable phenomenon of nematic (rigid-rod) polymers in steady shear, with sustained chaotic fluctuations of the orientational distribution of the rod ensemble. For monodomain dynamics, imposing spatial homogeneity and linear shear, rheochaos is a hallmark pre-]. The model behavior is robust, captured by second-moment tensor approximations [G. Modeling can further shed light on shear bands produced by hydrodynamic feedback which have thus far eluded measurement. Some numerical
more » ... t. Some numerical evidence supports persistence: a one-dimensional (1D) study [B. Chakrabarti, M. Das, C. Dasgupta, S. Ramaswamy, and A. K. Sood, Phys. Rev. Lett., 92 (2004), 188301] with a second-moment tensor model and imposed simple shear; and a two-dimensional (2D) study [A. Furukawa and A. Onuki, Phys. D, 205 (2005), pp. 195-206] with a second-moment tensor model and flow feedback. Here we stage the micro-macro (Smoluchowski and Navier-Stokes) system so that monodomain rheochaos is embedded in a 1D simulation [R. Zhou, M. G. Forest, and Q. Wang, Multiscale Model. Simul., 3 (2005), pp. 853-870] of a planar shear cell experiment with distortional elasticity. Longtime simulations reveal (i) heterogeneous rheochaos marked by chaotic time series in the PDF, normal and shear stresses, and velocity field at each interior gap height; (ii) coherent spatial morphology in the PDF and stress profiles across the shear gap and weakly nonlinear shear bands in each snapshot; and (iii) consistency between heterogeneous and monodomain rheochaos as measured by Lyapunov exponents and pointwise orbits of the peak orientation of the PDF but with enhancement rather than reduction in Lyapunov exponent values in the flow coupled, heterogeneous system.
doi:10.1137/070681491 fatcat:4rdgyqu6kzh4tnt22wv2lihfbi