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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 110 (1999), S. 8045-8059 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We have studied two simple approaches to consider thermodynamic state dependent electrostatic interactions for molecular modeling of different phases of ethanol: the addition of an isotropic point polarizability located in the oxygen, and a self-consistent calculation of the effective dipole moment at each thermodynamic state. We have performed molecular dynamics simulations in order to investigate the thermodynamic properties, structure and dynamics of the liquid phase at three experimental densities, as well as in the monoclinic crystal and at critical conditions. In order to rationalize the effects of changing the dipole moment of the molecules, simulations with a nonpolarizable model for ethanol were also performed. The results show that a nonpolarizable model with an effective dipole moment is able to reproduce most of the static and dynamic properties of the condensed phases of ethanol, while the need to take into account the real dipole moment of the isolated molecule by using a polarizable model is more evident in the low-density states. © 1999 American Institute of Physics.
    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 110 (1999), S. 6278-6287 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In this work a comprehensive, fully converged coupled states (CS) quantum mechanical (QM) study of the endothermic Ne+H2+ ion-molecule reaction is presented. The computed dynamical properties are compared with quasi-classical trajectory (QCT) and with the available experimental data. To this end, the analytical potential energy surface of Pendergast, Heck, Hayes, and Jacquet was employed. The two main features of the dynamical behavior for this system are: (1) the rich structure present in the state-selected integral cross section energy-dependent curves, which may be attributed to resonances surviving the partial wave summation; and (2) the large differences between the quantum and the QCT cross sections which are caused by the inability of classical mechanics to conserve the zero point energy. Also noteworthy are the strong enhancement of the reactivity due to higher vibrational states and the effect of the activated complex, formed during the reaction process, on the angular and the rotational distributions. © 1999 American Institute of Physics.
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  • 3
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 73 (1993), S. 5004-5008 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The reverse transition from the EL2 metastable state to the ground state is achieved by thermal annealing above 140 K. An optical recovery of the ground state photoresponse (1–1.3 eV) can be also done exciting with near band-gap light. We present herein a photocurrent study of the photoquenching transients starting from either a thermal recovery situation or an optically recovery one. It is seen that the recovered states are not the same for both of them. While the thermal recovery restores the ground state of EL2, the optical recovery restores another state, labeled EL2r, which gives a different photoquenching transient as compared to the ground EL2 level.
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  • 4
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 66 (1989), S. 2221-2222 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Excitation with 0.8 eV of the optically bleached state of semi-insulating GaAs results in a recovery of the 1–1.3 eV photocurrent. This recovery is found to occur in the advanced stages of the photoquenching with 1.1-eV light, when both the extrinsic and the intrinsic photocurrent are quenched. Such an observation is related to the existence of different metastable configurations, which are characterized by different optical sensitivities.
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  • 5
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 96 (1992), S. 433-439 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The ionization of HCl by collision with metastable neon atoms has been studied in a crossed beam-mass spectrometric experiment in the thermal energy range. It was found that the ionization leads to HCl+, NeH+, and NeHCl+ ion products. The HCl+ ion is the main product. Its cross section shows a decreasing trend in the energy range investigated. The NeH+ cross section is about one order of magnitude lower and decreases with collision energy more rapidly than that of HCl+. The NeHCl+ ion is the minor product with a cross section decreasing dramatically with collision energy. The production of these ions can be explained as the result of the postionization dynamics of the two possible ionic complexes formed when the electron is ejected: the ground state [Ne⋅⋅⋅HCl+(X)] ionic complex dissociates into Ne+HCl+(X) or remains as a stable NeHCl+ ion; the excited [Ne⋅⋅⋅HCl+(A)] complex dissociates into Ne+HCl+(A) or reacts to NeH++Cl. The theoretical model used to analyze the experimental results gives a satisfactory qualitative account of the cross sections and of their collision energy dependence. The model combines the semiclassical treatment for Penning and associative ionization with the Langevin criterion for the ion–molecule reactions. It assumes a local complex spherical potential for the Ne*–HCl interaction, the probability for the formation of each of the four possible product ions, HCl+(X), HCl+(A), NeH+, and NeHCl+ being obtained from the distribution of electronic states, kinetic energy, angular momentum, and intermolecular distance of the two nascent [Ne⋅⋅⋅HCl+(X,A)] complexes formed when the electron is emitted by the system.
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  • 6
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Physics of Fluids 13 (2001), S. 3729-3737 
    ISSN: 1089-7666
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The anisotropy of a thermal field at the level of dissipation has been studied experimentally and by means of modeling, downstream of a heated line source placed, successively, in a turbulent boundary layer and a turbulent plane jet. This situation represents anisotropic small-scale injection of a passive scalar in a turbulent medium. All three instantaneous temperature gradients have been measured. In the central region of the thermal sheet, experimental data reveal a high degree of anisotropy of temperature dissipation near the line source and return to isotropy further downstream. Comparison of measurements with modeling allows interpreting the data and estimating the return-to-isotropy time scale. © 2001 American Institute of Physics.
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  • 7
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Physics of Fluids 10 (1998), S. 654-661 
    ISSN: 1089-7666
    Source: AIP Digital Archive
    Topics: Physics
    Notes: An analytical study of isotropic scalar fluctuations decay in isotropic turbulence is undertaken. From a fixed-point analysis, the existence of two complete self-preserving regimes is demonstrated. One of them relates to the final period of decay whereas the other one corresponds to the decay at large Reynolds and Péclet numbers. In both cases, the scalar-to-velocity timescale ratio is constant. In the final period, its asymptotic value is determined by the values of the coefficients of velocity and scalar enstrophy destruction. At large Reynolds and Péclet numbers, it depends on the latter as well as on the values of the mixed-derivative and velocity derivative skewness coefficients. A model for the approach to full self-preservation of scalar fluctuations decay is proposed. This model accounts for non-equilibrium resulting from initial unbalanced vortex stretching. In the conditions of experiments on temperature fluctuations decay in grid-turbulence, it displays a transient regime, extending over the region of measurements, during which the decay exponent is not constant but slowly varying. © 1998 American Institute of Physics.
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  • 8
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Review of Scientific Instruments 64 (1993), S. 2933-2937 
    ISSN: 1089-7623
    Source: AIP Digital Archive
    Topics: Physics , Electrical Engineering, Measurement and Control Technology
    Notes: The transverse magneto-optical Kerr effect is employed for the measurement of in-plane surface magnetization. An automatic and computerized system is used for the detection of the field that acts on the surface in samples that do not have a negligible demagnetizing factor. The demagnetizing field due to the bulk is corrected, obtaining the true magnetization process of the surface.
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  • 9
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 89 (2001), S. 2665-2670 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Using real-time in situ laser light scattering we study, in this work, the influence of growth kinetics on the initial development of the crosshatched morphology and its subsequent evolution. The crosshatched morphology is characteristic of relaxed low strained layers (cursive-epsilon〈 2%) and has been traditionally related to the plastic relaxation process driven by generation and multiplication of dislocations. However we have observed that, if the growth rate is slow enough, the onset of crosshatch formation takes place at a layer thickness in which the dislocation formation and multiplication processes have not appeared yet. This reveals that the stress field generated by the small density of misfit dislocations formed by bending of the dislocations preexisting in the substrate is strong enough to affect the evolution of the growth front morphology. Our results also show that the starting point and evolution of this characteristic morphology depend on the growth rate in such a way that when the growth rate is lower the crosshatched morphology starts to develop at a smaller thickness and shows a faster evolution rate. © 2001 American Institute of Physics.
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  • 10
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 85 (1999), S. 1727-1730 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The microwave dielectric loss in highly porous alumina is measured in dry and moist atmospheres. Data are compared with those for sapphire and a fully densified alumina grade. Results indicate that the combination of humidity and porosity gives rise to a very high dielectric loss which is drastically reduced by replacing the moist atmosphere by dry gas. Measurements over a wide frequency range from 1 mHz to 100 MHz indicate that the origin of the microwave loss is due to the high frequency tail of a low frequency process. This low frequency loss peak shifts to lower frequencies with decreasing humidity, explaining the observed dependence of the microwave loss on humidity. © 1999 American Institute of Physics.
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