This review is concerned with the nonequilibrium dynamics and structure of complex fluids
based on simple micro-and mesoscopic physical models which are not rigorously solvable …

We provide a review of the literature for non-equilibrium molecular dynamics (NEMD)
simulations of homogeneous fluids. Our review focuses on techniques for simulations of …

The nonequilibrium molecular dynamics generated by the SLLOD algorithm [so called due
to its association with the DOLLS tensor algorithm (DJ Evans and GP Morriss, Statistical …

We study granular suspensions under a variety of extensional deformations and simple
shear using numerical simulations. The viscosity and Trouton's ratio (the ratio of extensional …

Tensile stress and birefringence in both real and model amorphous polymer melts have
been measured during constant rate uniaxial elongational flow. We focus on investigations …

A generalization of the Lees-Edwards periodic boundary conditions (gLE-PBC) for
molecular dynamics (MD) simulations is developed to allow for arbitrary deformations to be …

We apply the spatially and temporally periodic boundary conditions devised by Kraynik and
Reinelt [Int. J. Multiphase Flow 18, 1045 (1992)] to an atomic fluid undergoing planar …

Models should be as simple as possible, but no simpler. For the physics of polymeric liquids,
whose relevant lengths and time scales are out of reach for first principles calculations, this …

Considerable effort has been devoted to the accurate prediction of transport properties, such
as the shear viscosity, from microscopic models. Systematic calculations of the shear …

This work presents a generalization of the Kraynik-Reinelt (KR) boundary conditions for
nonequilibrium molecular dynamics simulations. In the simulation of steady, homogeneous …