We use nonequilibrium molecular-dynamics (NEMD) simulations to characterize the response of a fluid subjected to an electric field. We focus on the response for very weak fields. Fields accessible by conventional NEMD methods are typically of the order of 109Vm1, i.e., several orders of magnitude larger than those typically used in experiments. Using the transient time-correlation function, we show how NEMD simulations can be extended to study systems subjected to a realistic dc electric field. We then apply this approach to study the response of molten sodium chloride for a wide range of dc electric fields.

1.
H. R.
Kuntz
,
J. Electrochem. Soc.
134
,
105
(
1987
).
2.
M.
Matsuyima
and
R.
Takagi
,
J. Electroanal. Chem.
529
,
28
(
2002
).
3.
H.
Matsuura
,
R.
Takagi
, and
I.
Okada
,
J. Nucl. Sci. Technol.
34
,
304
(
1997
).
4.
J.
Petravic
and
J.
Delhommelle
,
J. Chem. Phys.
118
,
7477
(
2003
).
5.
W.
Drost-Hansen
and
J. L.
Singleton
,
Fundamentals of Medical Cell Biology
(
JAI
, Greenwich, CT,
1992
).
6.
M.
Gavish
,
J. L.
Wang
,
M.
Eisenstein
,
M.
Lahav
, and
L.
Leiserowitz
,
Science
256
,
815
(
1992
).
7.
W. M.
Visscher
,
Phys. Rev. A
10
,
2461
(
1974
).
8.
J. W.
Dufty
and
M. J.
Lidenfeld
,
J. Stat. Phys.
20
,
259
(
1979
).
10.
D. J.
Evans
and
G. P.
Morriss
,
Statistical Mechanics of Nonequilibrium Liquids
(
Academic
, London,
1990
).
11.
G. P.
Morriss
and
D. J.
Evans
,
Phys. Rev. A
39
,
6335
(
1989
).
12.
I.
Borzsak
,
P. T.
Cummings
, and
D. J.
Evans
,
Mol. Phys.
100
,
2735
(
2002
).
13.
J.
Petravic
and
P.
Harrowell
,
Phys. Rev. E
71
,
061201
(
2005
).
14.
J.
Delhommelle
and
P. T.
Cummings
(unpublished).
15.
M. P.
Tosi
and
F. G.
Fumi
,
J. Phys. Chem. Solids
25
,
31
(
1964
).
16.
Y.
Guissani
and
B.
Guillot
,
J. Chem. Phys.
101
,
490
(
1994
).
17.
J.
Delhommelle
and
J.
Petravic
,
J. Chem. Phys.
118
,
2783
(
2003
).
18.
J.
Petravic
and
J.
Delhommelle
,
J. Chem. Phys.
119
,
8511
(
2003
).
19.
J.
Delhommelle
,
Phys. Rev. E
71
,
016705
(
2005
).
20.
H. H.
Rugh
,
Phys. Rev. Lett.
78
,
772
(
1997
).
21.
John W. E.
Lewis
,
Konrad
Singer
, and
Leslie V.
Woodcock
,
J. Chem. Soc., Faraday Trans. 2
71
,
301
(
1975
).
22.
J.
Delhommelle
,
J.
Petravic
, and
D. J.
Evans
,
J. Chem. Phys.
119
,
11005
(
2003
).
23.
J.
Delhommelle
,
Phys. Rev. B
69
,
144117
(
2004
).
24.
J. W.E.
Lewis
and
K.
Singer
,
J. Chem. Faraday Trans.
71
,
31
(
1964
).
25.
J. P.
Hansen
and
I. R.
McDonald
,
Phys. Rev. A
11
,
2111
(
1975
).
26.
G.
Cicotti
,
G.
Jacucci
, and
I. R.
McDonald
,
Phys. Rev. A
13
,
426
(
1976
).
27.
J.
Trullas
and
J. A.
Padro
,
Phys. Rev. B
55
,
12210
(
1997
).
28.
K. S.
Pitzer
,
J. Chem. Phys.
104
,
6724
(
1996
).
29.
I. M.
Svishchev
and
P. G.
Kusalik
,
Phys. Chem. Liq.
26
,
237
(
1994
).
30.
M. P.
Allen
and
D. J.
Tildesley
,
Computer Simulation of Liquids
(
Clarendon
, Oxford,
1987
).
31.
J.-P.
Hansen
and
I. R.
McDonald
,
Theory of Simple Liquids
(
Academic
, London,
1986
).
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