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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 95 (1991), S. 5940-5947 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We have employed density functional theory to study gas–liquid nucleation in binary fluids. Effects of surface enrichment and curvature are naturally included in this novel statistical mechanical approach, allowing the classical capillarity approximation to be tested. In this paper we apply the theory to mixtures of Lennard-Jones fluids (modeled on argon and krypton). For these nearly ideal mixtures, the magnitude of nonclassical effects tend to be small, but systematic deviations do appear, with the ratio of the classical to nonclassical rate showing a maximum at intermediate compositions.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 4357-4363 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Our recently proposed effective liquid free energy model (ELFEM) density functional theory is extended to nonuniform binary systems. The theory is based on mapping the excess free energy of a nonuniform binary system onto that of an effective binary liquid. In the uniform density limit, the theory is required to reproduce the known properties of the liquid. The present theory is applied to the freezing of a binary hard sphere liquid into a substitutionally disordered fcc solid. Comparisons with previous density functional investigations and recent computer simulations are made.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 90 (1989), S. 5208-5209 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We propose a relation among the crystal–melt surface tension τsl, the compressibility KT, and the thickness wsl of the crystal–melt interface for simple liquids, based on the density-functional approach of Moore and Raveche.1 Combining this with a similar relation in note I by Mon and Stroud, we obtain a formula connecting the surface tension ratio τsl/τlv, and ratio of surface width wsl/wlv. A new empirical law of freezing is conjectured.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 96 (1992), S. 4816-4817 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A study is conducted on the square−gradient theories of polymer blend interfaces.Polymer blend exhibits a phase transition at a critical value of the interaction parameter. (AIP)
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 94 (1991), S. 4472-4478 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We have applied a nonclassical density functional theory of nucleation to the gas–liquid and liquid–gas transitions of a Lennard-Jones fluid. For the liquid-to-gas transition (cavitation) deviations from classical theory are extremely large: 15 orders of magnitude in rates. For the gas-to-liquid transition (condensation) the deviations are smaller in magnitude but still systematic. Our nonclassical theory agrees with classical theory in its prediction of the dependence of nucleation rates on supersaturation, but it differs in its prediction of temperature dependence. Good agreement is found between our theory and experiments on condensation nucleation of nonane.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 2692-2700 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A new formulation of the weighted density approximation, the so-called modified weighted density approximation (MWDA), has been developed recently by Denton and Ashcroft [Phys. Rev. A39, 4701 (1989)]. In the present article, the MWDA theory is examined by applying it to the freezing of simple liquids in low dimensions such as one-dimensional hard rods and two-dimensional hard disks, and also applying it to three-dimensional adhesive hard spheres and classical one-component plasma systems. Comparisons with previous density functional investigations and computer simulations are also presented.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Physics of Plasmas 4 (1997), S. 4431-4434 
    ISSN: 1089-7674
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The temporal evolution of the plasma sheath in a small cylindrical bore with an auxiliary electrode is calculated for zero-rise-time voltage pulses. The ion density, flux, dose, ion energy distribu-tion, and electric field are determined by solving Poisson's equation and the equations of ion motion and continuity using finite difference methods. Our results indicate that the implantation time is about halved and slightly more than 50% of the ions possess impact energy higher than the maximum achieved when an auxiliary electrode is absent. The resulting ion flux, ion current, as well as ion energy distribution, are also determined. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 83 (1998), S. 44-49 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: A model utilizing cold, unmagnetized, and collisionless fluid ions as well as Boltzmann electrons is used to comprehensively investigate the sheath expansion into a translationally invariant large bore in the presence of an auxiliary electrode during plasma immersion ion implantation (PIII) of a cylindrical bore sample. The governing equation of ion continuity, ion motion, and Poisson's equation are solved by using a numerical finite difference method for different cylindrical bore radii, auxiliary electrode radii, and voltage rise times. The ion density and ion impact energy at the cylindrical inner surface, as well as the ion energy distribution, maximum ion impact energy, and average ion impact energy for the various cases are obtained. Our results show a dramatic improvement in the impact energy when an auxiliary electrode is used and the recommended normalized auxiliary electrode radius is in the range of 0.1–0.3. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 104 (1996), S. 2699-2704 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A nonclassical theory of nucleation, based on the density-functional (DF) approach, is developed for the gas–liquid transitions of two-dimensional (2D) Lennard-Jones (LJ) fluids. The methods of Weeks–Chandler–Andersen perturbation theory are used to approximate the LJ potential with a temperature-dependent hard-disk diameter plus an attractive tail. The resulting free energy functional is then used to calculate the free energy barrier to nucleation. We find that the curvature of the 2D nucleus is not important to the rate of nucleation (in contrast to the 3D counterpart). The effect of curvature is readily inferred from the ratio of nucleation rate from classical Becker–Döring theory to that from DF theory. Our calculation suggests that classical nucleation theory actually works reasonably well for 2D LJ fluids in predicting the temperature-dependence of the nucleation rate (whereas for 3D LJ fluids it fails badly). © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 71 (1997), S. 1035-1037 
    ISSN: 1077-3118
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The temporal evolution of the plasma sheath in a small cylindrical bore in the presence of an auxiliary electrode is determined for different electrode radii. The ion density, velocity, flux, dose, ion energy distribution, and average impact energy are calculated by solving Poisson's Equation and the equations of ion motion and continuity using finite difference methods. The particle-in-cell method is also used to confirm the validity of the data. Our results indicate that more ions will attain high impact energy when the auxiliary electrode radius is increased, but the dose will decrease. Our results suggest that the normalized auxiliary electrode radius should range from 0.10 to 0.30 in order to maximize the dose and produce a larger number of ions with higher impact energy. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
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