We put forward a simple procedure for extracting dynamical information from Monte Carlo simulations, by appropriate matching of the short-time diffusion tensor with its infinite-dilution limit counterpart, which is supposed to be known. This approach – discarding hydrodynamics interactions – first allows us to improve the efficiency of previous dynamic Monte Carlo algorithms for spherical Brownian particles. In the second step, we address the case of anisotropic colloids with orientational degrees of freedom. As an illustration, we present a detailed study of the dynamics of thin platelets, with emphasis on long-time diffusion and orientational correlations.
REFERENCES
1.
M. P.
Allen
and D. J.
Tildesley
, Computer Simulation of Liquids
(Oxford University Press
, Oxford
, 1987
).2.
D.
Frenkel
and B.
Smit
, Understanding Molecular Simulation: From Algorithms to Applications
, 2nd ed. (Academic
, 2001
).3.
S.
Duane
, A. D.
Kennedy
, B. J.
Pendleton
, and D.
Roweth
, Phys. Lett. B
195
, 216
(1987
).4.
K. A.
Fichthorn
and W. H.
Weinberg
, J. Chem. Phys.
95
, 1090
(1991
).5.
B.
Cichocki
and K.
Hinsen
, Physica A
166
, 473
(1990
).6.
K.
Kikuchi
, M.
Yoshida
, T.
Maekawa
, and H.
Watanabe
, Chem. Phys. Lett.
185
, 335
(1991
).7.
E.
Sanz
and D.
Marenduzzo
, J. Chem. Phys.
132
, 194102
(2010
).8.
F.
Romano
, C.
De Michele
, D.
Marenduzzo
, and E.
Sanz
, J. Chem. Phys.
135
, 124106
(2011
).9.
P. J.
Rossky
, J. D.
Doll
, and H. L.
Friedman
, J. Chem. Phys.
69
, 628
(1978
).10.
W.
Schaertl
and H.
Sillescu
, J. Stat. Phys.
74
, 687
(1994
).11.
D. M.
Heyes
and A. C.
Branka
, Mol. Phys.
94
, 447
(1998
).12.
S.
Babu
, J.-C.
Gimel
, T.
Nicolai
, and C.
De Michele
, J. Chem. Phys.
128
, 204504
(2008
).13.
H. F.
Hernandez
and K.
Tauer
, Comput.-Aided Chem. Eng.
25
, 769
(2008
).14.
A.
Scala
, T.
Voigtmann
, and C.
De Michele
, J. Chem. Phys.
126
, 134109
(2007
).15.
L.
Berthier
, Phys. Rev. E
76
, 011507
(2007
).16.
S.
Belli
, A.
Patti
, R.
van Roij
, and M.
Dijkstra
, J. Chem. Phys.
133
, 154514
(2010
).17.
A.
Patti
, S.
Belli
, R.
van Roij
, and M.
Dijkstra
, Soft Matter
7
, 3533
(2011
).18.
D.
Coslovich
, L.
Strauss
, and G.
Kahl
, Soft Matter
7
, 2127
(2011
).19.
G.
Nagele
, The Physics of Colloidal Soft Matter
, Lecture Notes
Vol. 14
(Institute of Fundamental Technological Research (AMAS)
, Warszawa, Poland
, 2004
), Chap. 9, p. 138
.20.
B. U.
Felderhof
and R. B.
Jones
, Phys. Rev. E
48
, 1084
(1993
).21.
M.
Medina-Noyola
, Phys. Rev. Lett.
60
, 2705
(1998
).22.
Y.
Han
, A. M.
Alsayed
, M.
Nobili
, J.
Zhang
, T. C.
Lubensky
, and A. G.
Yodh
, Science
314
, 626
(2006
).23.
R.
Eppenga
and D.
Frenkel
, Mol. Phys.
52
, 1303
(1984
).24.
25.
F.
Perrin
, J. Phys. Radium
7
, 1
(1936
).26.
27.
28.
M.
Tokuyama
and I.
Oppenheim
, Phys. Rev. E
50
, R16
(1994
).29.
A.
Alavi
and D.
Frenkel
, Phys. Rev. A.
45
, R5355
(1992
).30.
K.
Kikuchi
, M.
Yoshida
, T.
Maekawa
, and H.
Watanabe
, Chem. Phys. Lett.
196
, 57
(1992
).© 2012 American Institute of Physics.
2012
American Institute of Physics
You do not currently have access to this content.