Results from extensive nonequilibrium molecular dynamics (NEMD) simulations are presented for liquid chlorine subject to planar Couette flow. Comparisons are made between the so‐called atomic and molecular SLLOD algorithms [R. Edberg, G. P. Morriss, and D. J. Evans, J. Chem. Phys. 86, 4555 (1987)] with atomic and molecular thermostats, respectively. These two thermostats differ in the assumptions that are made regarding the streaming velocity. Both thermostats are responsible for the production of string phases characterized by a translational ordering at very high strain rates. In addition, the atomic thermostat is responsible for the existence of a nonvanishing antisymmetric stress and enhanced orientational ordering.

1.
D. J.
Evans
and
G. P.
Morriss
,
Comput. Phys. Rep.
1
,
297
(
1984
).
2.
K. P.
Travis
,
D.
Brown
, and
J. H. R.
Clarke
,
J. Chem. Phys.
98
,
1524
(
1993
).
3.
S.
Chynoweth
,
U. C.
Klomp
, and
Y.
Michopoulos
,
J. Chem. Phys.
95
,
3024
(
1991
).
4.
R. A.
Gray
,
P. B.
Warren
,
S.
Chynoweth
,
Y.
Michopoulos
, and
G. S.
Pawley
,
Proc. R. Soc. London Ser. A
448
,
113
(
1995
).
5.
B. Z.
Dlugogorski
,
M.
Grmela
, and
P. J.
Carreau
,
J. Non-Newtonian Fluid Mech.
48
,
303
(
1993
).
6.
R.
Edberg
,
G. P.
Morriss
, and
D. J.
Evans
,
J. Chem. Phys.
86
,
4555
(
1987
).
7.
D. J.
Evans
,
W. G.
Hoover
,
B. H.
Failor
,
B.
Moran
, and
A. J. C.
Ladd
,
Phys. Rev. E
28
,
1016
(
1983
).
8.
D. J.
Evans
and
G. P.
Morriss
,
Phys. Rev. Lett.
56
,
2172
(
1986
).
9.
D. J.
Evans
,
S. T.
Cui
,
H. J. M.
Hanley
, and
G. C.
Straty
,
Phys. Rev. A
46
,
6731
(
1992
).
10.
A.
Baranyai
and
D. J.
Evans
,
Mol. Phys.
70
,
53
(
1990
).
11.
P. J.
Daivis
,
D. J.
Evans
, and
G. P.
Morriss
,
J. Chem. Phys.
97
,
616
(
1992
).
12.
R.
Edberg
,
G. P.
Morriss
, and
D. J.
Evans
,
Mol. Phys.
62
,
1357
(
1987
).
13.
J. C.
Maxwell
,
Proc. R. Soc. London Ser. A
22
,
151
(
1873
).
14.
S. R. deGroot and P. Mazur, Non-Equilibrium Thermodynamics (Dover, New York, 1984).
15.
T. Levi-Civita, The Absolute Differentiable Calculus (Dover, New York, 1977).
16.
S.
Sarman
and
D. J.
Evans
,
J. Chem. Phys.
99
,
9021
(
1993
).
17.
M.
Born
,
Z. Phys.
1
,
221
(
1920
).
18.
G. P.
Morriss
,
P. J.
Daivis
, and
D. J.
Evans
,
J. Chem. Phys.
94
,
7420
(
1991
).
19.
G.
Marechal
and
J. P.
Ryckaert
,
Chem. Phys. Lett.
101
,
548
(
1983
).
20.
M. P.
Allen
,
Mol. Phys.
52
,
705
(
1984
).
21.
H. J. C.
Berendsen
,
G.
Ciccotti
, and
J. P.
Ryckaert
,
Comput. Phys. Rep.
4
,
345
(
1986
).
22.
S. Y.
Liem
,
D.
Brown
, and
J. H. R.
Clarke
,
Phys. Rev. A
45
,
3706
(
1992
).
23.
D. J. Evans and G. P. Morris, Statistical Mechanics of Nonequilibrium Liquids (Academic, London, 1990).
24.
T.
Hashimoto
,
K.
Matsuzaka
,
E.
Moses
, and
A.
Onuki
,
Phys. Rev. Lett.
74
,
126
(
1995
).
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