Bibliothek

feed icon rss

Ihre E-Mail wurde erfolgreich gesendet. Bitte prüfen Sie Ihren Maileingang.

Leider ist ein Fehler beim E-Mail-Versand aufgetreten. Bitte versuchen Sie es erneut.

Vorgang fortführen?

Exportieren
  • 1
    Digitale Medien
    Digitale Medien
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 101 (1994), S. 8870-8876 
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: The fast multipole method (FMM) has become an important alternative to traditional methods such as the Ewald method for computing the long-range interactions necessary to simulate charged or dipolar systems. In this paper, we present an improvement of this method, which we shall call the very fast multipole method (VFMM). The VFMM is shown to be a factor of about 1.2 faster than the FMM for two-dimensional systems and a factor about 2–3 times faster for three-dimensional systems without losing any accuracy for the worst case error.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
  • 2
    Digitale Medien
    Digitale Medien
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 84 (1986), S. 6940-6942 
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: We report molecular dynamics simulations of n-butane at the B1 state point of Ryckaert and Bellemans [Chem. Phys. Lett. 30, 23 (1975); Discuss. Chem. Soc. 6, 695 (1978)]. The results confirm those of Edberg et al. (preceding paper) in that we found 58.5±1.0% of the molecules in the trans state as opposed to the value of 54% reported by Ryckaert and Bellemans.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
  • 3
    Digitale Medien
    Digitale Medien
    Palo Alto, Calif. : Annual Reviews
    Annual Review of Physical Chemistry 37 (1986), S. 245-270 
    ISSN: 0066-426X
    Quelle: Annual Reviews Electronic Back Volume Collection 1932-2001ff
    Thema: Chemie und Pharmazie , Physik
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
  • 4
    Digitale Medien
    Digitale Medien
    Springer
    European journal of clinical pharmacology 39 (1990), S. 457-461 
    ISSN: 1432-1041
    Schlagwort(e): Vancomycin ; drug utilization ; drug usage evaluation
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie , Medizin
    Notizen: Summary A prospective, two-phase, drug utilization review (DUR) was performed at the Royal Adelaide Hospital (RAH) to determine the extent and pattern of vancomycin use. For all patients commencing oral or parenteral vancomycin, treatment indication, route of administration, duration of therapy, results of culture and sensitivity tests, adverse drug reactions and results of therapeutic drug level monitoring were recorded. Vancomycin courses were classified as being for therapy or prophylaxis and compared with predetermined audit criteria to assess appropriateness of use. During the 8 week initial phase, data on 62 treatment courses in 59 patients were recorded, 50% for therapy and 50% for prophylaxis. Sixty four percent were classified as inappropriate, occurring in 32% of therapeutic courses and 97% of those for prophylaxis. During the 10 week re-evaluation, conducted 10 months later, data for 43 treatment courses in 43 patients were reviewed, 42% for therapy and 58% for prophylaxis. Sixty five percent were inappropriate occuring in 17% of therapeutic courses and 100% of the prophylactic courses. When compared with the initial phase, the re-evaluation demonstrated a decrease in the empirical use of vancomycin in the combination treatment of neutropaenic fever and also in the duration of vancomycin use for surgical prophylaxis. During both study phases, criteria contraventions were mostly due to inappropriate indication or duration of therapy. The cost of inappropriate vancomycin use was reduced by over 50% between survey phases, from $Aus11,500 or 55% of total vancomycin cost during the initial phase to $Aus3,600 or 25.7% during the re-evaluation. The most effective of the remedial strategies implemented after the initial phase was direct consultation with prescriber groups. The effectiveness of this DUR has provided the basis for an ongoing DUR programme at the RAH which has been met with general acceptance by hospital clinicians and administrators.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
  • 5
    Digitale Medien
    Digitale Medien
    Springer
    Journal of statistical physics 50 (1988), S. 813-838 
    ISSN: 1572-9613
    Schlagwort(e): Spherical model ; Coulombic systems ; correlation function decay ; Stillinger-Lovett relations
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Physik
    Notizen: Abstract We consider simple cubic lattice systemsΛ ind dimensions with a continuous real charge variableq(n) at each lattice siten. These variables are subject t'o a mean spherical constraint forcing 〈∑n∈Λ q 2(n)〉=‖Λ‖Q 2, where ‖Λ‖ is the number of lattice sites inΛ andQ is an elementary charge. The energy of the charges comes from interactions with an electrostatic potential, which is the solution of a symmetric second-difference Poisson equation on the lattice. Two cases are considered, both of which allow the inclusion of the effects of a fixed, constant, external electric field. On the latticeΛ 1=[1,N]⊗d , a Neumann condition is imposed at the surface of the lattice. The latticeΛ 2=[1,N]⊗ [−M,M]⊗(d−1) is periodic in each direction ranging over [−M, M] and has a Dirichlet condition imposed at the other two surfaces. OnΛ 2 a finite electric field may be applied, while onΛ 2 a finite potential difference may be applied across the lattice. The models are exactly solvable. We study the distribution functions on each system and show that they satisfy appropriate forms of the first two Stillinger-Lovett moment conditions. The two charge distribution functions show screening behavior at high temperature and extreme short range at an intermediate temperatureT 0(d), and oscillate as they decay to zero forT〈T 0(d). Because of the continuous nature of the charge variables, there is no Kosterlitz-Thouless transition in two dimensions. In three dimensions the change in the decay behavior of the distribution functions atT〈T 0(d) is precursor to a phase transition to a charge ordered state.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
  • 6
    Digitale Medien
    Digitale Medien
    Springer
    Journal of statistical physics 60 (1990), S. 529-549 
    ISSN: 1572-9613
    Schlagwort(e): Wetting transition ; finite-size scaling ; partition function zeros
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Physik
    Notizen: Abstract We derive a finite-size scaling representation for the partition function for an Onsager-Temperley string model with a wetting transition, and analyze the zeros of this partition function in the complex scaled coupling parameter of relevance. The system models the one-dimensional interface between two phases in a rectangular two-dimensional region (x, y) ∈ℝ2,−L ≤y⩽L,o≤x≤N. The two phases are at coexistence. The string or interface has a surface tension 2KkT per unit length and an extra Boltzmann weighta per unit length if it touches the surfaces aty=±L. There is a critical valuea c=1/2K and fora〉a c the string is confined to one of the surfaces, while fora ťa c the string moves roughly in the rectangular region. The finite-size scaling parameters are α=a c 2 N/L 2 and ζ=L(a−a c)/a c 2 . We find that for |ζ| large, the zeros of the scaled partition function lie close to the lines arg(ζ)=±π/4 with re(ζ)〉0. We discuss the motion of all the zeros as α changes by both analytic and numerical arguments.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
  • 7
    Digitale Medien
    Digitale Medien
    Springer
    Journal of statistical physics 66 (1992), S. 233-247 
    ISSN: 1572-9613
    Schlagwort(e): Partition function zeros ; mean field transition ; one-dimensional plasma
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Physik
    Notizen: Abstract We consider the grand canonical partition function for the ordered one-dimensional, two-component plasma at fugacityζ in an applied electric fieldE with Dirichlet boundary conditions. The system has a phase transition from a low-coupling phase with equally spaced particles to a high-coupling phase with particles clustered into dipolar pairs. An exact expression for the partition function is developed. In zero applied field the zeros in theζ plane occupy the imaginary axis from −i∞ to −iζc and iζc to i∞ for some ζc. They also occupy the diamond shape of four straight lines from ±iζc to ζc and from ±iζc to −ζc. The fugacityζ acts like a temperature or coupling variable. The symmetry-breaking field is the applied electric fieldE. A finite-size scaling representation for the partition in scaled coupling and scaled electric field is developed. It has standard mean field form. When the scaled coupling is real, the zeros in the scaled field lie on the imaginary axis and pinch the real scaled field axis as the scaled coupling increases. The scaled partition function considered as a function of two complex variables, scaled coupling and scaled field, has zeros on a two-dimensional surface in a domain of four real variables. A numerical discussion of some of the properties of this surface is presented.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
  • 8
    Digitale Medien
    Digitale Medien
    Springer
    Journal of statistical physics 72 (1993), S. 51-78 
    ISSN: 1572-9613
    Schlagwort(e): Partition function zeros ; Stokes phenomenon ; wetting transition
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Physik
    Notizen: Abstract We consider the statistical mechanics of a fluctuating string (1D solid-on-solid model) ofN columns with a contact energy term displaying a critical wetting transition. For this model we derive a contour integral representation for the finite-size partition function. From this representation we derive a polynomial representation and obtain the Lee-Yang zeros forN ≲, 100. Through the asymptotic evaluation of the contour integral we evaluate the zeros for higherN. This asymptotic evaluation displays a Stokes phenomenon providing a different viewpoint of the mechanism by which a phase transition can arise, supplementing the picture of Lee and Yang. We also reproduce and extend somewhat the results of Smith for the finite-size scaling limit of the partition function.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
  • 9
    Digitale Medien
    Digitale Medien
    Springer
    Journal of statistical physics 43 (1986), S. 621-643 
    ISSN: 1572-9613
    Schlagwort(e): Wetting transition ; exact solution ; random walk ; S.O.S. model
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Physik
    Notizen: Abstract A model of a binary mixture, showing a wetting transition, is examined. No prewetting phenomena are found. The scaling functions are obtained for the film thickness and for the correlation lengths.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
  • 10
    Digitale Medien
    Digitale Medien
    Springer
    Journal of statistical physics 46 (1987), S. 179-190 
    ISSN: 1572-9613
    Schlagwort(e): Dipoles ; boundary conditions ; electrostatics
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Physik
    Notizen: Abstract A microscopic derivation using the average Maxwell electric field is given for fluctuation formulas for the dielectric constant of a simulation sample for both periodic and reaction field boundary conditions. The reaction field case is for a spherical cavity reaction field. The derivations put both boundary conditions on an equal footing of microscopic theory and the only nonrigorous part of the derivation is the assumption that the region used to average the electric field is large enough. The fluctuation formula for reaction field boundary conditions is rather different from that used heretofore. The method is applied to a subregion of an isolated spherical system.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
    BibTip Andere fanden auch interessant ...
Schließen ⊗
Diese Webseite nutzt Cookies und das Analyse-Tool Matomo. Weitere Informationen finden Sie hier...