Computations of the flow of non-Newtonian fluids in the presence of a
reentrant corner have a long history of convergence problems, which ar
e believed to originate from a nonsquare-integrable stress singularity
. Local flow analyses near such a corner have been inconclusive, due t
o the nonlinearity and the model dependence of the governing equations
. We have used molecular dynamics simulations to compute the flow of b
oth a Newtonian liquid and a model polymer melt through a channel with
a reentrant corner, providing an unbiased and convergent calculation.
The fluids interact via Lennard-Jones potentials, and for the polymer
case we employ FENE chains of length up to 30. For the Newtonian flui
d, the shear stress near the corner is found to agree with the Stokes
flow prediction of Moffatt. In the non-Newtonian case, the shear stres
s has a stronger apparent divergence, increasing with velocity but not
with chain length, which appears to saturate at an integrable value o
f approximately 0.8. The molecular origin of the stress enhancement is
the additional elongation and rotation of the molecules near the reen
trant corner. (C) 1997 The Society of Rheology.