Library

Your search history is empty.
feed icon rss

Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 96 (1992), S. 4633-4638 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The statistical mechanics of contact angle phenomena and wetting/drying transitions at wall–fluid interfaces has benefitted from a series of recent computer simulation studies and density functional treatments. Various groups have contributed to this effort and not all of the results published to date appear to be in agreement. In particular, seemingly conflicting reports of the nature of the drying transition at model wall–liquid interfaces has generated significant confusion. Our purpose here is to clarify the situation by (i) demonstrating full consistency between two weighted density functional studies of wall–fluid interfaces, previously thought to be in conflict, and by (ii) reporting on a new density functional analysis of an earlier controversy surrounding the measurement of contact angles by computer simulation procedures involving "live'' walls.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 7916-7924 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We have studied the wetting and drying transitions in a solid–fluid interace with truncated Lennard-Jones interactions, for which there have been reported molecular dynamics results by Sikkenk et al. [Phys. Rev. Lett. 59, 98 (1987)]. We consider in detail the differences resulting from the use of a "real'' solid substrate instead of the "inert wall'' model which has been used in all previous calculations.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
  • 3
    Electronic Resource
    Electronic Resource
    Oxford BSL : Blackwell Science Ltd
    British journal of dermatology 140 (1999), S. 0 
    ISSN: 1365-2133
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Medicine
    Notes: HIV-associated pityriasis rubra pilaris (PRP) or PRP type VI designates a new distinctive entity reported in HIV patients. It is characterized by cutaneous lesions of PRP and variable association with lesions of acne conglobata, hidradenitis suppurativa and lichen spinulosus. We report a patient with HIV-associated PRP which was treated by triple antiretroviral therapy (zidovudine, lamivudin and saquinavir) with complete response. The patient has remained free from symptoms for 20 months of follow-up. We review the clinical features, pathology, evolution, treatment and possible aetiology of this recently described entity.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
  • 4
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 102 (1995), S. 1098-1099 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In this note we present molecular dynamics (MD) simulation results of the melting transition of a hexane monolayer adsorbed on graphite. The present study was motivated by the recent simulation results of the same system by Hansen et al. [J. Chem. Phys. 98, 4128 (1993)]. Using a United Atom model for the representation of the inter- and intramolecular interactions, and the standard Steele expression for the monolayer-substrate potential, the latter authors obtained a melting temperature for the monolayer-substrate potential, the latter authors obtained a melting temperature for the monolayer which is at odds with experiment by 25%. In contrast, we show that when Steele's method to model adsorbate–substrate interactions, based on Lorentz–Berthelot's rule, is used, the transition temperature is in good agreement with experiment. The weaker surface potential also causes a slight increase in the width of the tilt distribution of the molecular axes and a decrease in the number of gauche defects. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
  • 5
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 102 (1995), S. 8107-8113 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A thermodynamic linear perturbation theory for the Gay–Berne intermolecular potential has been developed which is able to predict the occurrence of isotropic liquid-vapour coexistence as well as the stability of a nematic phase. The theory can be regarded as a generalisation to molecular fluids of the Weeks, Chandler, Andersen (WCA) pertubative scheme for simple fluids. The reference system, a hard Gaussian overlap model, is analysed within density-functional theory using a standard Onsager-like approach, the "decoupling approximation,'' where density correlations are treated to all orders (albeit approximately) whereas orientational correlations are approximated by the low density limit. We implement this idea by using an equivalent system of hard spheres to approximate the density-dependent part of the excess free energy. The structure of the reference system is approximated by the radial distribution function of an equivalent system of hard spheres, scaled with the contact distance of the hard core. The phase diagram for the Gay–Berne fluid obtained from the theory is compared with computer simulation data of the same model potential and found to be in fair agreement. In contrast, a mean-field approximation for the perturbative term gives rather poor results. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
  • 6
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 109 (1998), S. 2361-2370 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A simple yet reasonably accurate perturbation theory for the Gay–Berne model, capable of describing the uniform isotropic and nematic phases, as well as the layered smectic-A phase, is presented. The theory, in line with a previously proposed theory, is based on a perturbative scheme, but the reference system, a hard Gaussian overlap model, is treated using the nonlocal approximation of Somoza and Tarazona. This approximate scheme, which reduces to the well-known decoupling approximation for nematics, is a simple generalization of the decoupling approximation designed to include smectic structures. The attractive free energy is calculated using a mean-field approximation. Underestimation of the attractive energy implied by this approximation is alleviated by introducing some scale factors, set to reproduce the critical point and two triple points involving the smectic phase. The choice of scale factors, which is valid for a particular set of molecular parameters, is shown to reproduce accurately the phase diagram corresponding to other parameter values. The theory is used to examine the global liquid-crystalline phase behavior of the Gay–Berne model, paying particular attention to the effect of the anisotropy attraction parameter κ′ on the location of the various phase boundaries. Comparison of the results with the available computer simulations for this system indicates that the theory leads to qualitatively correct predictions. The theory could be useful to predict the phase behavior of realistic systems with respect to molecular elongation and energy anisotropy. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
  • 7
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 112 (2000), S. 8970-8975 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A highly accurate theoretical approach, based on exact and quasiexact sum rules, is presented for the averaged two-body correlation function of the hard-disk solid. Excellent results are obtained as compared to computer simulations for this function. However, when these results are used as the basis for a first-order perturbation theory, the phase diagram of the two-dimensional square-well model potential is only reproduced qualitatively, showing that higher-order correlation terms play a non-negligible role in two dimensions. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
  • 8
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    Surface Science 251-252 (1991), S. 628-634 
    ISSN: 0039-6028
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Physics
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
  • 9
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    Surface Science 126 (1983), S. 202-207 
    ISSN: 0039-6028
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Physics
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
  • 10
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    Nuclear Physics, Section B 264 (1986), S. 393-414 
    ISSN: 0550-3213
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Physics
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...