Journal of Statistical Physics, Vol. 57, Nos. 3/4, 1989. p. 729-743.
A soft-sphere, inverse-12 liquid is simulated in both the isokinetic-isochoric and the isokinetic-isobaric ensemble using nonequilibrium molecular dynamics. The simulation for the isobaric ensemble is discussed in detail. The non-Newtonian characteristics of the liquid are clearly demonstrated; namely, the shear-rate-dependent pressure and density (shear dilatancy), the shear-rate-dependent shear viscosity (shear thinning), and evidence of normal pressure differences. For the first time, it is clearly shown that a significant component of isobaric shear thinning is due to shear dilatancy. The isochoric and isobaric results are checked for consistency. Simple empirical relations for the equation of state and transport prdperties of the fluid are presented.