Abstract
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 properties of the fluid are presented.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
D. J. Evans and W. G. Hoover,Annu. Rev. Fluid Mech. 18:243 (1986).
H. J. M. Hanley and D. J. Evans,Int. J. Thermophys., in press (1988).
D. J. Evans and G. P. Morriss,Comp. Phys. Rep. 1:299 (1984).
D. J. Evans and G. P. Morriss,Dynamics of Classical Liquids (Academic Press, New York, in press).
D. J. Evans, H. J. M. Hanley, and S. Hess,Phys. Today 3:26 (1984).
Physica 118a (1983).
D. J. Evans and G. P. Morriss,Chem. Phys. 7:63 (1983).
H. J. M. Hanley, J. C. Rainwater, D. J. Evans, and L. M. Hood, inProceedings Xth International Congress of Rheology, P. H. T. Uhlherr, ed. (Sydney, 1988).
S. Hess,Phys. Rev. A 25:614 (1982).
S. Hess and H. J. M. Hanley,Int. J. Thermophys. 4:97 (1983).
S. Nosé,Mol. Phys. 52:255 (1984).
W. G. Hoover,Phys. Rev. A 31:1695 (1985).
L. M. Hood, D. J. Evans, and G. P. Morriss,Mol. Phys. 62:419 (1987).
D. Fincham and B. J. Ralston,Comput. Phys. Comm. 23:127 (1981).
W. G. Hoover, M. Ross, K. W. Johnson, D. Henderson, J. A. Barker, and B. C. Brown,J. Chem. Phys. 52:4931 (1970).
F. J. Rogers and D. A. Young,Phys. Rev. A 30:999 (1984).
J. C. Rainwater, H. J. M. Hanley, T. Paszkiewicz, and Z. Petru,J. Chem. Phys. 83:339 (1985).
J. C. Rainwater,J. Stat. Phys. 19:177 (1978).
W. T. Ashhurst and W. G. Hoover,Phys. Rev. A 11:658 (1975).
J. C. Rainwater,J. Chem. Phys. 71:5171 (1979);74:4130 (1981).
H. J. M. Hanley, G. P. Morriss, T. R. Welberry, and D. J. Evans,Physica 149a:406 (1988).
H. J. M. Hanley, J. C. Rainwater, and S. Hess,Phys. Rev. A 36:1795 (1987).
D. J. Evans and E. G. D. Cohen,J. Stat. Phys., this issue (1989).
Author information
Authors and Affiliations
Additional information
This is a publication in part of the National Institute of Standards and Technology (formerly NBS) and is not subject to copyright.
Rights and permissions
About this article
Cite this article
Hood, L.M., Evans, D.J. & Hanley, H.J.M. Properties of a soft-sphere liquid from non-Newtonian molecular dynamics. J Stat Phys 57, 729–743 (1989). https://doi.org/10.1007/BF01022829
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF01022829