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  • 1
    Electronic Resource
    Electronic Resource
    The statistical theory of electrolyte melts (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 90 (1989), S. 6603-6609 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The exact system of equations for the two-particle distribution function of the system of particles with the Coulomb interaction potential is transformed into the set of equations with the first equation describing the purely Coulomb interaction, the second—the short-range interaction, and the third—the mixed interactions. For each of these equations we choose its own approximation of the bridge functional. In the short-range interaction it is the Martynov–Sarkisov approximation, which gives the best results for systems with the Lenard-Johns interaction potential; in the "mixed'' equation it is the hypernetted-chain approximation, which ensures the highest accuracy in systems with the electrostatic potential; the third equation, which does not contain the bridge functional at all, is retained in its original exact form. The system of three approximate equations obtained in this way proves to be more exact than any of the presently known approximations. At the density close to the melt crystallization density and at the corresponding "melting'' temperatures the thermodynamical inconsistency in pressure is calculated to be several percent and the accuracy in determination of the internal energy is still more high (deviations from the Monte Carlo data do not exceed fractions of percent).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.456328
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  • 2
    Electronic Resource
    Electronic Resource
    Free energy in the statistical theory of fluids (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 1942-1947 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Explicit formulas for the excess chemical potential and Helmholtz free energy have been derived in different ways making use of a functional integration technique. The method employed is an extension of the Kirkwood "charging'' procedure and involves a new way of renormalizing cluster series. The formulas require only the correlation functions for the system under investigation. New and old ways of calculating the free energy of a simple fluid are compared and discussed. Numerical results for the various closures are presented for hard and Lennard-Jones sphere fluids. A bridge functional of the first kind has been introduced and some approximations for this have been proposed and tested.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.459071
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  • 3
    Electronic Resource
    Electronic Resource
    Asymptotics of the correlation functions for fluids (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 3445-3451 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: An equation based on the Ornstein–Zernike theory is suggested to describe the asymptotic behavior of the two-particle distribution function. The equation is shown to be the general one. It is possible to study the long-range part of the correlation function for any interparticle interaction potential as well as for any closure of the Ornstein–Zernike equation. Calculations are performed for a hard-sphere particle system for hypernetted chain, Percus–Yevick, and Martynov–Sarkisov approximate integral equations.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.458826
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  • 4
    Electronic Resource
    Electronic Resource
    The bridge function expansion and the self-consistency problem of the Ornstein–Zernike equation solution (1994)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 100 (1994), S. 5249-5258 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We propose self-consistent solutions to the Ornstein–Zernike equation where the approximate closure is replaced by a bridge function expansion, whose main advantage is the improvement of correlation functions. Unknown coefficients of this expansion are found from the principle of total thermodynamic consistency. The latter includes not only the conventional pressure–compressibility equation but also the relation between internal energy and pressure. We show that utilizing only the first equation one may face a nonunique partially consistent solution conditioned by noncomplete formulation of the consistency problem. At the same time the suggested set of equations is sufficient to determine a true and unique physical solution regardless of the number of unknown coefficients. In this paper we expand the bridge function in powers of potential of mean force and perform the example of building the approximate self-consistent closure. Moreover, the approach via total thermodynamic consistency introduces the value of residual inconsistency as the internal criterion of accuracy, which is equal to zero only for the exact closure relation and the corresponding solution. This value is found to be in agreement with the deviation of thermodynamic quantities from numeric simulation data. The proposed method is tested on the classical model of a Lennard-Jones fluid in a wide range of temperatures and high densities.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.467189
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  • 5
    Electronic Resource
    Electronic Resource
    New closure for the Ornstein–Zernike equation (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 110 (1999), S. 3961-3969 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A closure for the Ornstein–Zernike equation was proposed on the basis of an analysis of the properties of bridge functionals. The closure allows one to calculate the two-particle distribution function g(r) of the Lennard-Jones fluid with a relative error that does not exceed 1%–2% at all densities and temperatures. At the same time, the thermodynamic parameters of fluid in the same approximation are calculated with larger error. It has been shown that these facts are due to those additional errors that are entered by the formulas establishing the linkage between g(r) and thermodynamic parameters. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.478276
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  • 6
    Electronic Resource
    Electronic Resource
    The self-consistent statistical theory of condensation (1997)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 106 (1997), S. 6095-6101 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We propose a statistical approach to the first order phase transitions problem. For this purpose a self-consistent method for the calculation of high-order virial terms together with efficient numeric realization are developed. The method is based on the idea of differential conditions for thermodynamic consistency what makes possible the calculation of up to 30 virial terms. It is shown numerically that the obtained expansion is convergent. In the accordance with the Lee and Yang theorem, the convergency limit of virial series is found to correspond to the condensation curve. The unknown properties of high order virial terms are revealed. We show that near the critical temperature, the remainder of virial series vanishes, with high order virial terms being close to zero and the properties of a fluid being determined by the first 4–5 terms. The results are tested for two model systems; the square well and Lennard-Jones potentials. Our estimates for the phase transition curve are in good agreement with independent numeric simulation data. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.473272
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  • 7
    Electronic Resource
    Electronic Resource
    Ballooning instability precursors to high β disruptions on the Tokamak Fusion Test Reactor (1996)
    [S.l.] : American Institute of Physics (AIP)
    Physics of Plasmas 3 (1996), S. 2620-2625 
    Details
    ISSN: 1089-7674
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Toroidally localized ballooning modes have been found as precursors to high β disruptions in many regimes on the Tokamak Fusion Test Reactor (TFTR) [D. Meade et al., Proceedings of the International Conference on Plasma Physics and Controlled Nuclear Fusion, Washington, DC, 1990 (International Atomic Energy Agency, Vienna, 1991), Vol. I, pp. 9–24]. Lower frequency, global magnetohydrodynamic (MHD) activity, typically an ideal n=1 kink mode, causes the toroidal localization. Larger-amplitude n=1 modes result in stronger toroidal localization of the ballooning modes. The modes are typically localized to a region spanning about 90°–120° in the toroidal direction. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.871975
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  • 8
    Electronic Resource
    Electronic Resource
    An elliptical wiggler beamline for the ALS : The 9th National conference on synchrotron radiation instrumentation (1996)
    [S.l.] : American Institute of Physics (AIP)
    Review of Scientific Instruments 67 (1996), S. 3372-3372 
    Details
    ISSN: 1089-7623
    Source: AIP Digital Archive
    Topics: Physics , Electrical Engineering, Measurement and Control Technology
    Notes: A beamline for circularly polarized radiation produced by an elliptical wiggler has been designed at the ALS covering the broad energy range from 50 eV to 2000 eV. The rigorous theory of grating diffraction efficiency has been used to maximize transmitted flux. The nature of the elliptical wiggler insertion device creates a challenging optical problem due to the large source size in the vertical and horizontal directions. The requirement of high resolving power combined with the broad tuning range and high heat loads complicate the design. These problems have been solved by using cooled optics and a variable-included angle monochromator of the "constant length'' type with high demagnification onto its entrance slit. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1146929
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  • 9
    Electronic Resource
    Electronic Resource
    Elliptically polarizing undulator beamlines at the Advanced Light Source : The 9th National conference on synchrotron radiation instrumentation (1996)
    [S.l.] : American Institute of Physics (AIP)
    Review of Scientific Instruments 67 (1996), S. 3372-3372 
    Details
    ISSN: 1089-7623
    Source: AIP Digital Archive
    Topics: Physics , Electrical Engineering, Measurement and Control Technology
    Notes: Circular polarization insertion devices and beamlines at the Advanced Light Source are described. The facility will consist of multiple undulators feeding two independent beamlines, one optimized for microscopy and the other for spectroscopy. The energy range of the beamlines will go from below 100 eV to 1800 eV, enabling studies of the magnetically important L2,3 edges of transition metals and the M4,5 edges of rare earths. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1147337
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  • 10
    Electronic Resource
    Electronic Resource
    Deep multilayer gratings with adjustable bandpass for spectroscopy and monochromatization : Papers from the 12th National Synchrotron Radiation Instrumentation Conference (2002)
    [S.l.] : American Institute of Physics (AIP)
    Review of Scientific Instruments 73 (2002), S. 1551-1553 
    Details
    ISSN: 1089-7623
    Source: AIP Digital Archive
    Topics: Physics , Electrical Engineering, Measurement and Control Technology
    Notes: We propose here a deep multilayer grating with an adjustable bandpass as an alternative dispersive element for use in x-ray spectroscopy and monochromatization. When making a multilayer grating, we remove part of the reflecting planes of a multilayer, allowing radiation to penetrate deeper. Since the resolution, or the bandpass, is reciprocally proportional to the penetration depth, we improve the resolution and reduce the bandpass of a simple multilayer mirror without affecting the reflectivity. By changing the grating land/period ratio, the amount of the removed material can be continuously varied and, thus, the extinction depth and the bandpass, or resolution, can be continuously varied. In this way we can find an optimum between required resolution and flux for a particular application. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1445815
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