@article {453,
	title = {Dielectric relaxation of chained ferrofluids},
	journal = {Journal of Chemical Physics},
	volume = {116},
	number = {15},
	year = {2002},
	note = {ISI Document Delivery No.: 537PGTimes Cited: 13Cited Reference Count: 18},
	month = {Apr},
	pages = {6731-6737},
	type = {Article},
	abstract = {Molecular and Brownian dynamics simulations are used to investigate the frequency-dependent dielectric relaxation of ferrofluids, with the objective of identifying features characteristic of dipolar chain formation at low densities. It is shown that the presence of chains gives rise to a high frequency band associated with the vibrational motion of dipoles within the chains. This band serves as a "signature" of association and is not present in dipolar fluids at higher, liquid-like densities. A simple theory that traps the basic features of the relaxation behavior is also presented. (C) 2002 American Institute of Physics.},
	keywords = {FLUIDS, PHASE, SCATTERING, SIMULATION, SPHERES},
	isbn = {0021-9606},
	url = {<Go to ISI>://000174767200039},
	author = {Murashov, V. V. and Camp, P. J. and Patey, G. N.}
}
@article {4663,
	title = {Liquid-vapor coexistence in fluids of dipolar hard dumbbells and spherocylinders},
	journal = {Physical Review E},
	volume = {59},
	number = {3},
	year = {1999},
	note = {ISI Document Delivery No.: 177WFTimes Cited: 29Cited Reference Count: 11Part B},
	month = {Mar},
	pages = {3065-3070},
	type = {Article},
	abstract = {Fluids of dipolar hard spheres are thought to have rather unusual phase behavior in that liquid-vapor equilibrium has not been observed in computer simulations. Recently, McGrother and Jackson [Phys. Rev. Lett. 76, 4183 (1996)] have reported Gibbs ensemble Monte Carlo (GEMC) results for dipolar hard spherocylinders. At the reduced temperature T*=0.12 they report liquid-vapor coexistence for aspect ratios L/D greater than or similar to 0.19, bur no coexistence was found for smaller values. In the present paper we investigate the phase behavior of dipolar hard dumbbells and dipolar hard spherocylinders using both GEMC and grand canonical Monte Carlo methods. For both models at the same reduced temperature we find liquid-vapor coexistence for aspect ratios as low as 0.1. For aspect ratios less than or similar to 0.1, the strong dipolar interactions create severe sampling problems and reliable results cannot be obtained. This is particularly true for the GEMC method and possibly accounts for the disagreement we find with the earlier simulations. [S1063-651X(99)08502-5].},
	keywords = {orientational order, SIMULATION, SPHERES, SYSTEMS},
	isbn = {1063-651X},
	url = {<Go to ISI>://000079233500001},
	author = {Shelley, J. C. and Patey, G. N. and Levesque, D. and Weis, J. J.}
}
@article {3887,
	title = {Liquid crystal phases of dipolar discotic particles},
	journal = {Physical Review E},
	volume = {55},
	number = {1},
	year = {1997},
	note = {ISI Document Delivery No.: WD545Times Cited: 15Cited Reference Count: 21Part A},
	month = {Jan},
	pages = {447-454},
	type = {Article},
	abstract = {Fluids of dipolar oblate ellipsoids of revolution are investigated in detail employing molecular dynamics simulations. For aspect ratios (height-to-breadth) between similar to 1.2 and similar to 3, it is shown that these systems may form two liquid crystal phases. These are a ferroelectric phase which is stable at higher temperatures and an antiferroelectric columnar phase which is stable at lower temperatures. A partial phase diagram is given and the important structural features of these phases are determined and discussed.},
	keywords = {COMPUTER-SIMULATION, ELLIPSOIDS, MODEL, MOLECULES, MONTE-CARLO SIMULATIONS, NEMATIC PHASE, orientational order, SPHERES, SYSTEMS},
	isbn = {1063-651X},
	url = {<Go to ISI>://A1997WD54500056},
	author = {Ayton, G. and Wei, D. Q. and Patey, G. N.}
}
@article {2982,
	title = {SOLVATION DYNAMICS IN ELECTROLYTE-SOLUTIONS},
	journal = {Journal of Chemical Physics},
	volume = {100},
	number = {2},
	year = {1994},
	note = {ISI Document Delivery No.: MT007Times Cited: 33Cited Reference Count: 40},
	month = {Jan},
	pages = {1552-1558},
	type = {Article},
	abstract = {A microscopic theory of the dynamics of ion solvation in electrolyte solutions is given. Consistent with the pure solvent case, the theory predicts a very fast and important inertial relaxation at short times. This is followed by oscillations and an extremely slow long-time decay associated with the formation of an equilibrium {\textquoteright}{\textquoteright}ion atmosphere{\textquoteright}{\textquoteright} about the newly charged particle.},
	keywords = {DIELECTRIC-RELAXATION, INVARIANT EXPANSION, ION, LIQUIDS, MEAN SPHERICAL MODEL, ORNSTEIN-ZERNIKE EQUATION, SIMULATIONS, SOLVENT, SPHERES},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1994MT00700085},
	author = {Chandra, A. and Patey, G. N.}
}
@article {7130,
	title = {THE CRYSTALLIZATION OF ALKALI-HALIDES FROM AQUEOUS-SOLUTION - AN APPLICATION OF DENSITY-FUNCTIONAL THEORY},
	journal = {Journal of Chemical Physics},
	volume = {95},
	number = {1},
	year = {1991},
	note = {ISI Document Delivery No.: FT847Times Cited: 3Cited Reference Count: 23},
	month = {Jul},
	pages = {485-493},
	type = {Article},
	abstract = {Density-functional theory is applied to the problem of salt crystallization from solution and explicit results are given for model aqueous alkali-halide systems. Both direct- and Fourier-space methods of calculation are considered and it is found that only the direct (i.e., r space) method converges sufficiently rapidly to provide reliable results for ionic crystals at 25-degrees-C. It is shown that the density-functional method is capable of predicting crystallization, but that the solid-state parameters and, for some salts, the crystal structures obtained are in poor agreement with experiment or computer simulations. The calculated crystal/solution coexistence concentrations are found to be extremely sensitive to the short-range part of the interionic pair potentials. This is consistent with earlier observations that the activity coefficients of model aqueous alkali-halide solutions are very strongly dependent upon the short-range ion-ion interactions. Therefore, we do not believe that this sensitivity to details of the short-range interionic potentials is an artifact of theoretical approximations, but rather a real effect significantly influencing crystallization.},
	keywords = {APPROXIMATION, INVARIANT EXPANSION, MEAN SPHERICAL MODEL, ORNSTEIN-ZERNIKE EQUATION, SIMULATION, SPHERES, TRANSITION, WATER},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1991FT84700048},
	author = {Ursenbach, C. P. and Patey, G. N.}
}
