@article {3886,
	title = {Ferroelectric and dipolar glass phases of noncrystalline systems},
	journal = {Physical Review E},
	volume = {56},
	number = {1},
	year = {1997},
	note = {ISI Document Delivery No.: XM377Times Cited: 28Cited Reference Count: 43Part B},
	month = {Jul},
	pages = {562-570},
	type = {Article},
	abstract = {In a recent Letter [Phys. Rev. Lett. 75, 2360 (1995)] we briefly discussed the existence and nature of ferroelectric order in positionally disordered dipolar materials. Here we report further results and give a complete description of our work. Simulations of randomly frozen and dynamically disordered dipolar soft spheres are used to study ferroelectric ordering in noncrystalline systems. We also give a physical interpretation of the simulation results in terms of short- and long-range interactions. Cases where the dipole moment has one, two, and three components (Ising, XY, and XYZ models, respectively) are considered. It is found that the Ising model displays ferroelectric phases in frozen amorphous systems, while the XY and XYZ models form dipolar glass phases at low temperatures. In the dynamically disordered model the equations of motion are decoupled such that particle translation is completely independent of the dipolar forces. These systems spontaneously develop long-range ferroelectric order at nonzero temperature: despite the absence of any fined-tuned short-range spatial correlations favoring dipolar order. Furthermore, since this is a nonequilibrium model, we find that the paraelectric to ferroelectric transition depends on the particle mass. For the XY and XYZ models, the critical temperatures extrapolate to zero as the mass of the particle becomes infinite, whereas for the Ising model the critical temperature is almost independent of mass, and coincides with the ferroelectric transition found for the randomly frozen system at the same density. Thus in the infinite mass limit the results of the frozen amorphous systems are recovered.},
	keywords = {COMPUTER-SIMULATION, ELECTROSTATIC SYSTEMS, interactions, LIQUID-CRYSTAL, LONG-RANGE, ORIENTATIONAL GLASSES, PERIODIC BOUNDARY-CONDITIONS, RANDOM ANISOTROPY, RANDOM LEVY FLIGHTS, SPONTANEOUS MAGNETIC ORDER, VECTOR SPIN-GLASSES},
	isbn = {1063-651X},
	url = {<Go to ISI>://A1997XM37700005},
	author = {Ayton, G. and Gingras, M. J. P. and Patey, G. N.}
}
@article {3596,
	title = {Ferroelectric order in model discotic nematic liquid crystals},
	journal = {Physical Review Letters},
	volume = {76},
	number = {2},
	year = {1996},
	note = {ISI Document Delivery No.: TN761Times Cited: 31Cited Reference Count: 12},
	month = {Jan},
	pages = {239-242},
	type = {Article},
	abstract = {Monte Carlo calculations are used to examine orientational order in fluids of disk-shape particles with embedded dipoles. The dipoles are distributed over a circular {\textquoteright}{\textquoteright}patch{\textquoteright}{\textquoteright} of finite size. It is shown that such systems may undergo spontaneous polarization to form a stable ferroelectric discotic nematic phase.},
	keywords = {COMPUTER-SIMULATION, ELECTROSTATIC SYSTEMS, MONTE-CARLO, orientational order, PERIODIC BOUNDARY-CONDITIONS, PHASE},
	isbn = {0031-9007},
	url = {<Go to ISI>://A1996TN76100021},
	author = {Ayton, G. and Patey, G. N.}
}
@article {3232,
	title = {ORIENTATIONAL ORDERING IN SPATIALLY DISORDERED DIPOLAR SYSTEMS},
	journal = {Physical Review Letters},
	volume = {75},
	number = {12},
	year = {1995},
	note = {ISI Document Delivery No.: RU811Times Cited: 40Cited Reference Count: 27},
	month = {Sep},
	pages = {2360-2363},
	type = {Article},
	abstract = {This Letter addresses basic questions concerning ferroelectric order in positionally disordered dipolar materials. Three models distinguished by dipole vectors that have one, two, or three components are studied by computer simulation. Randomly frozen and dynamically disordered media are considered. It is shown that ferroelectric order is possible in spatially random systems, but that its existence is very sensitive to the dipole vector dimensionality and the motion of the medium. A physical analysis of our results provides significant insight into the nature of ferroelectric transitions.},
	keywords = {COMPUTER-SIMULATION, ELECTROSTATIC SYSTEMS, FLIGHTS, LONG-RANGE INTERACTIONS, models, PERIODIC BOUNDARY-CONDITIONS, RANDOM ANISOTROPY, RANDOM LEVY, SPIN-GLASSES},
	isbn = {0031-9007},
	url = {<Go to ISI>://A1995RU81100027},
	author = {Ayton, G. and Gingras, M. J. P. and Patey, G. N.}
}
@article {2981,
	title = {DIELECTRIC-RELAXATION OF ELECTROLYTE-SOLUTIONS - MOLECULAR-DYNAMICS AND THEORETICAL RESULTS FOR IONS IN SIMPLE DIPOLAR SOLVENTS},
	journal = {Journal of Chemical Physics},
	volume = {100},
	number = {11},
	year = {1994},
	note = {ISI Document Delivery No.: NN731Times Cited: 25Cited Reference Count: 21},
	month = {Jun},
	pages = {8385-8391},
	type = {Article},
	abstract = {Computer simulation and theoretical results are given for the frequency dependent dielectric function of model electrolyte solutions. The influences of salt concentration, ionic charge, and solvent dipole moment are discussed. It is found that a substantial salt induced dielectric decrement; persists up to the dispersion frequency. At higher frequencies, however, the dielectric constant-of the solution is larger;than that of the solvent giving a salt induced dielectric increment.},
	keywords = {COMPUTER-SIMULATION, CONDUCTIVITY, CONSTANT, ELECTRICAL-PROPERTIES, electrostatic, LIQUIDS, PERIODIC BOUNDARY-CONDITIONS, SYSTEMS},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1994NN73100060},
	author = {Chandra, A. and Patey, G. N.}
}
@article {2748,
	title = {DIELECTRIC-RELAXATION OF DIPOLAR LIQUIDS},
	journal = {Journal of Chemical Physics},
	volume = {99},
	number = {3},
	year = {1993},
	note = {ISI Document Delivery No.: LN782Times Cited: 19Cited Reference Count: 33},
	month = {Aug},
	pages = {2068-2073},
	type = {Article},
	abstract = {An approximate expression is derived for the dielectric function epsilon(k, omega). The theory includes inertial and non-Markovian effects and is free of adjustable parameters. For the k = 0 case, detailed comparisons are made with computer simulation results for dipolar soft-sphere and Stockmayer fluids, and the theory is shown to be qualitatively sound at both low and high frequencies. The present approximation should be very useful in developing a theory of solvation dynamics which properly includes important inertial effects.},
	keywords = {COMPUTER-SIMULATION, electrostatic, equation, INVARIANT EXPANSION, ION SOLVATION, LIQUIDS, MEAN SPHERICAL MODEL, MOLECULAR LIQUIDS, ORNSTEIN-ZERNIKE, PERIODIC BOUNDARY-CONDITIONS, POLAR, SOLVATION DYNAMICS, SYSTEMS},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1993LN78200067},
	author = {Chandra, A. and Wei, D. Q. and Patey, G. N.}
}
@article {2750,
	title = {DIELECTRIC-RELAXATION OF ELECTROLYTE-SOLUTIONS - IS THERE REALLY A KINETIC DIELECTRIC DECREMENT},
	journal = {Journal of Chemical Physics},
	volume = {98},
	number = {6},
	year = {1993},
	note = {ISI Document Delivery No.: KU222Times Cited: 31Cited Reference Count: 34},
	month = {Mar},
	pages = {4959-4966},
	type = {Article},
	abstract = {The dielectric behavior of model electrolyte solutions is studied by molecular dynamics simulations. For the systems considered, it is found that the zero-frequency dielectric constant depends only on equilibrium properties and that there is no measurable {\textquoteright}{\textquoteright}kinetic dielectric decrement.{\textquoteright}{\textquoteright} A theoretical explanation of the simulation results is presented. It is argued that no kinetic dielectric decrement exists for spherical ions in solvents of arbitrary molecular symmetry.},
	keywords = {AQUEOUS-ELECTROLYTES, COMPUTER-SIMULATION, CONSTANT, DISPERSION, DYNAMICS, ELECTROSTATIC SYSTEMS, friction, MOLECULAR THEORY, PERIODIC BOUNDARY-CONDITIONS, polarization},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1993KU22200067},
	author = {Chandra, A. and Wei, D. Q. and Patey, G. N.}
}
@article {2929,
	title = {DYNAMIC PROPERTIES OF A FERROELECTRIC NEMATIC LIQUID-CRYSTAL},
	journal = {Physical Review E},
	volume = {47},
	number = {4},
	year = {1993},
	note = {ISI Document Delivery No.: KZ507Times Cited: 10Cited Reference Count: 18},
	month = {Apr},
	pages = {2954-2957},
	type = {Note},
	abstract = {Molecular-dynamics simulations are used to investigate the dynamical properties of a ferroelectric nematic liquid crystal. The results are also relevant to electrorheological fluids and to ferrofluids. Translational and rotational diffusion constants parallel and perpendicular to the director are reported and discussed. Dipole-dipole reorientational correlation functions are calculated and compared with theoretical models.},
	keywords = {ANISOTROPY, ELECTROSTATIC SYSTEMS, FLUIDS, MOLECULAR-DYNAMICS, PERIODIC BOUNDARY-CONDITIONS, SIMULATION, VISCOSITY},
	isbn = {1063-651X},
	url = {<Go to ISI>://A1993KZ50700094},
	author = {Wei, D. Q. 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 {2930,
	title = {ORIENTATIONAL ORDER IN SIMPLE DIPOLAR FLUIDS - DENSITY-FUNCTIONAL THEORY AND ABSOLUTE-STABILITY CONDITIONS},
	journal = {Physical Review E},
	volume = {47},
	number = {1},
	year = {1993},
	note = {ISI Document Delivery No.: KY134Times Cited: 59Cited Reference Count: 29},
	month = {Jan},
	pages = {506-512},
	type = {Article},
	abstract = {The formation of ferroelectric liquid crystals by simple dipolar models is investigated using density-functional theory and absolute-stability analysis. It is emphasized that for such systems well defined results can only be found by specifying exactly how the long-range dipolar interactions are treated. Explicit formal expressions are derived for mean-reaction-field boundary conditions and these are combined with integral-equation approximations in order to obtain numerical results for fluids of dipolar hard and soft spheres. The calculations predict isotropic-to-ferroelectric-nematic transitions in qualitative agreement with computer simulations. The quantitative agreement, however, is rather poor.},
	keywords = {COMPUTER-SIMULATION, ELECTROSTATIC SYSTEMS, equation, HARD-SPHERES, INVARIANT EXPANSION, MEAN SPHERICAL MODEL, ORNSTEIN-ZERNIKE, PERIODIC BOUNDARY-CONDITIONS, POLAR SYSTEMS, TRANSITION},
	isbn = {1063-651X},
	url = {<Go to ISI>://A1993KY13400062},
	author = {Wei, D. Q. and Patey, G. N. and Perera, A.}
}
@article {7377,
	title = {ORIENTATIONAL ORDER IN SIMPLE DIPOLAR LIQUIDS - COMPUTER-SIMULATION OF A FERROELECTRIC NEMATIC PHASE},
	journal = {Physical Review Letters},
	volume = {68},
	number = {13},
	year = {1992},
	note = {ISI Document Delivery No.: HL670Times Cited: 202Cited Reference Count: 18},
	month = {Mar},
	pages = {2043-2045},
	type = {Article},
	abstract = {Molecular-dynamics simulations are used to show that strongly interacting dipolar spheres can form a ferroelectric nematic phase. This is the first demonstration that dipolar forces alone can create an orientationally ordered liquid state. It is also the first time that the existence of a ferroelectric nematic phase has been established for a model fluid.},
	keywords = {CRYSTALS, ELECTROSTATIC SYSTEMS, PERIODIC BOUNDARY-CONDITIONS},
	isbn = {0031-9007},
	url = {<Go to ISI>://A1992HL67000021},
	author = {Wei, D. Q. and Patey, G. N.}
}
