@article {1513,
	title = {The interaction of patterned solutes in binary solvent mixtures},
	journal = {Journal of Chemical Physics},
	volume = {124},
	number = {9},
	year = {2006},
	note = {ISI Document Delivery No.: 019IHTimes Cited: 1Cited Reference Count: 44},
	month = {Mar},
	pages = {11},
	type = {Article},
	abstract = {Mean solute-solute forces and solute-induced solvent structure are investigated for pairs of chemically patterned (patched) solutes in binary mixtures near demixing coexistence. The isotropic and anisotropic hypernetted-chain integral equation theories as well as a superposition approximation are solved and compared. The patched solutes consist of one end that favors the majority species in the mixture while the other end favors the minority species. A wide range of patch sizes is considered. The isotropic and anisotropic theories are found to be in good agreement for most orientations, including the most attractive and most repulsive configurations. However, some differences arise for asymmetrical orientations where unlike ends of the solute particles face each other. In contrast, superposition often gives a rather poor approximation to the mean force, even though the results obtained for the solvent densities agree qualitatively with the anisotropic theory. The mean force is sensitive to small differences in the densities particularly near demixing. For patched solutes the influence of demixinglike behavior is evident both in the orientational dependence and in the range of the mean force acting between solutes. (c) 2006 American Institute of Physics.},
	keywords = {BRIDGE DIAGRAM SERIES, FLUID, HARD-SPHERES, HYDROPHOBIC SURFACES, LENNARD-JONES, LIQUID MIXTURES, MACROPARTICLES, PHASE-TRANSITION, RANGE, SPHERICALLY INHOMOGENEOUS FLUIDS, WATER},
	isbn = {0021-9606},
	url = {<Go to ISI>://000235828300034},
	author = {Overduin, S. D. and Patey, G. N.}
}
@article {883,
	title = {Shearing of nanoscopic bridges in two-component thin liquid layers between chemically patterned walls},
	journal = {Journal of Chemical Physics},
	volume = {121},
	number = {13},
	year = {2004},
	note = {ISI Document Delivery No.: 857VETimes Cited: 4Cited Reference Count: 24},
	month = {Oct},
	pages = {6508-6517},
	type = {Article},
	abstract = {Bridge phases associated with a phase transition between two liquid phases occur when a two-component liquid mixture is confined between chemically patterned walls. In the bulk the liquid mixture with components A, B undergoes phase separation into an A-rich phase and a B-rich phase. The walls bear stripes attractive to A. In the bridge phase A-rich and B-rich regions alternate. Grand canonical Monte Carlo studies are performed with the alignment between stripes on opposite walls varied. Misalignment of the stripes places the nanoscopic liquid bridges under shear strain. The bridges exert a Hookean restoring force on the walls for small displacements from equilibrium. As the strain increases there are deviations from Hooke{\textquoteright}s law. Eventually there is an abrupt yielding of the bridges. Molecular dynamics simulations show the bridges form or disintegrate on time scales which are fast compared to wall motion and transport of molecules into or from the confined space. Some interesting possible applications of the phenomena are discussed. (C) 2004 American Institute of Physics.},
	keywords = {BEHAVIOR, CAPILLARY CONDENSATION, FILMS, FLUID, INDUCED PHASE-TRANSITIONS, MIXTURES, PORES},
	isbn = {0021-9606},
	url = {<Go to ISI>://000224146300049},
	author = {Hemming, C. J. and Patey, G. N.}
}
@article {988,
	title = {Surface-induced ordering of nematics in an external field: The strong influence of tilted walls},
	journal = {Physical Review Letters},
	volume = {92},
	number = {18},
	year = {2004},
	note = {ISI Document Delivery No.: 818XNTimes Cited: 8Cited Reference Count: 19},
	month = {May},
	pages = {4},
	type = {Article},
	abstract = {Microscopic theory is used to investigate surface-induced order in a model nematic subjected to an external orienting field. The wall-particle interaction tends to orient particles perpendicular to the surface. It is shown that if the wall is tilted at similar to45degrees to the field, the reorientational effects can be an order of magnitude larger than those observed for perpendicular or parallel orientations. The surprising observation is associated with the breaking of a particular bulk symmetry. A possible practical application of the tilted geometry is briefly discussed.},
	keywords = {CONTACT, FLUID, LIQUID-CRYSTALS, ORNSTEIN-ZERNIKE EQUATION, PHASE, SUBSTRATE, TRANSITIONS},
	isbn = {0031-9007},
	url = {<Go to ISI>://000221277900033},
	author = {Sokolovska, T. G. and Sokolovskii, R. O. and Patey, G. N.}
}
@article {4198,
	title = {Gas-liquid coexistence and demixing in systems with highly directional pair potentials},
	journal = {Physical Review E},
	volume = {57},
	number = {5},
	year = {1998},
	note = {ISI Document Delivery No.: ZP583Times Cited: 19Cited Reference Count: 21Part B},
	month = {May},
	pages = {5682-5686},
	type = {Article},
	abstract = {Recent computer simulation studies strongly indicate that fluids of dipolar hard spheres do not display gas-isotropic liquid coexistence. In this paper we discuss a second example that also exhibits this rather unexpected behavior. This is a simple liquid-crystal model that we explore employing Gibbs ensemble Monte Carlo (GEMC) methods. It is shown that the system has clear gas-nematic liquid coexistence, but that the gas-isotropic liquid coexistence line is completely missing from the phase diagram. We attribute this to the highly directional nature of the attractive potential and argue that similar considerations are likely of relevance in the dipolar hard-sphere case as well. We also use GEMC techniques to investigate demixing in binary mixtures of neutral and dipolar hard spheres. For similar mixtures of neutral and charged have spheres, it is known that demixing is essentially condensation of the Coulombic fluid weakly influenced by the background of neutral hard spheres. Therefore, given that dipolar hard spheres do not condense, whether or not the present mixtures demix is an interesting question. In fact, demi?ring is observed and, moreover, the transition temperatures are in reasonable agreement with those predicted by the same integral equation theories that incorrectly predict condensation of the pure dipolar fluid. The critical temperature decreases rapidly with decreasing diameter of the neutral species consistent with the lack of gas-isotropic liquid coexistence for pure dipolar hard spheres. Clearly, for the present model demixing and dipolar condensation are not closely related phenomena as they are in the Coulombic systems. The neutral species appears to reduce the formation of dipolar "chains" or "clusters" that inhibit condensation of the purl dipolar hard-sphere fluid.},
	keywords = {COMPUTER-SIMULATION, CRYSTAL MODELS, DIPOLAR HARD-SPHERES, FLUID, GIBBS ENSEMBLE, INSTABILITY, MIXTURE, MONTE-CARLO, orientational order, PHASE},
	isbn = {1063-651X},
	url = {<Go to ISI>://000073768000025},
	author = {Blair, M. J. and Patey, G. N.}
}
@article {2749,
	title = {THE FREQUENCY-DEPENDENT CONDUCTIVITY OF ELECTROLYTE-SOLUTIONS},
	journal = {Journal of Chemical Physics},
	volume = {99},
	number = {3},
	year = {1993},
	note = {ISI Document Delivery No.: LN782Times Cited: 30Cited Reference Count: 25},
	month = {Aug},
	pages = {2083-2094},
	type = {Article},
	abstract = {The frequency dependent conductivity, sigma(omega), of model electrolyte solutions is investigated employing molecular dynamics simulations. Approximate analytical theories are also derived and evaluated. It is found that sigma(omega) is generally not a simple function and that its detailed frequency dependence contains much useful information about the structure and dynamics of ionic solutions. By varying molecular and state parameters such as the dipole moment and moment of inertia of the solvent, the ionic charge, the solution density, etc., we are able to obtain a physical interpretation of the behavior of sigma(omega). For example, very interesting dynamical solvation effects as well as features associated with ion pairs are identified and described.},
	keywords = {COMPUTER-SIMULATION, CONSTANT, DYNAMICS, ELECTROSTATIC SYSTEMS, FLUID, ION, MOLECULAR THEORY, PERIODIC BOUNDARY-CONDITIONS},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1993LN78200070},
	author = {Chandra, A. and Wei, D. Q. and Patey, G. N.}
}
@article {2747,
	title = {MICROSCOPIC THEORY OF SOLVATION DYNAMICS IN DIPOLAR LIQUIDS},
	journal = {Journal of Chemical Physics},
	volume = {99},
	number = {7},
	year = {1993},
	note = {ISI Document Delivery No.: LY603Times Cited: 48Cited Reference Count: 27},
	month = {Oct},
	pages = {4926-4931},
	type = {Article},
	abstract = {A self contained microscopic theory is described for ion solvation dynamics in dipolar fluids. The theory takes account of inertial and non-Markovian effects which are of critical importance for the fast initial phase of the relaxation of the ion-solvent energy. The theory also includes diffusional effects important at long times. The results obtained are shown to be in good agreement with recent computer simulation studies of ions in Stockmayer solvents.},
	keywords = {COMPUTER-SIMULATION, DIELECTRIC-CONSTANT, ELECTROSTATIC SYSTEMS, FLUID, ION SOLVATION, MOLECULAR LIQUIDS, PERIODIC BOUNDARY-CONDITIONS, relaxation, SOLVENT},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1993LY60300004},
	author = {Chandra, A. and Wei, D. Q. and Patey, G. N.}
}
@article {7376,
	title = {FERROELECTRIC LIQUID-CRYSTAL AND SOLID-PHASES FORMED BY STRONGLY INTERACTING DIPOLAR SOFT SPHERES},
	journal = {Physical Review A},
	volume = {46},
	number = {12},
	year = {1992},
	note = {ISI Document Delivery No.: KE871Times Cited: 120Cited Reference Count: 22},
	month = {Dec},
	pages = {7783-7792},
	type = {Article},
	abstract = {Molecular-dynamics simulation results are reported for systems of strongly interacting dipolar soft spheres. Calculations have been carried out along two isotherms and the structure of the liquid-crystal and solid phases obtained is described in detail. It is found that in addition to the ferroelectric nematic phase we previously reported [Phys. Rev. Lett. 68, 2043 (1992)], liquid crystals with columnar order can also be obtained. The model freezes to form a ferroelectric solid which is shown to have a tetragonal I crystal structure The influence of different boundary conditions upon the simulation results is also discussed.},
	keywords = {COMPUTER-SIMULATION, FLUID, MOLECULAR-DYNAMICS, SYSTEMS},
	isbn = {1050-2947},
	url = {<Go to ISI>://A1992KE87100054},
	author = {Wei, D. Q. and Patey, G. N.}
}
