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  • 1
    Digitale Medien
    Digitale Medien
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 95 (1991), S. 5603-5608 
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: Vibrational spectra of liquid carbon monoxide shock compressed to several high pressure/high temperature states were recorded using single-pulse multiplex coherent anti-Stokes Raman scattering. Vibrational frequencies, third-order suceptibility ratios, and linewidths are reported for the fundamental and first excited-state transition. The observed vibrational frequency shift with shock pressure was substantially less than that observed previously in nitrogen, implying a significant difference in the details of their inter- and intramolecular potentials. The transition intensity and linewidth data suggest that thermal equilibrium of the vibrational levels is attained in less than 10 ns at these shock pressures, and the vibrational temperatures obtained are comparable to calculated equation-of-state temperatures. The measured linewidths suggest that the vibrational dephasing time decreased to ∼2 ps at our highest pressure shock state.
    Materialart: Digitale Medien
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  • 2
    Digitale Medien
    Digitale Medien
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 90 (1989), S. 1368-1376 
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: Vibrational spectra of liquid nitrogen shock compressed to several high pressure/high temperature states were recorded using single-pulse multiplex coherent anti-Stokes Raman scattering. Vibrational frequencies, third-order susceptibility ratios, and linewidths are presented for the fundamental and several excited-state transitions. Vibrational frequencies were found to increase monotonically up to (approximate)17.5 GPa single shock and (approximate)30 GPa double shock. Above these pressures, the vibrational frequencies were observed to decrease with further increases in pressure. The decrease in vibrational frequency occurs in a pressure regime where the shocked nitrogen is becoming optically opaque. The consequence of the decrease in vibrational frequency on the Grüneisen mode gamma and its effect on the N2 equation of state is discussed. The transition intensity and linewidth data suggest that thermal equilibrium of the vibrational levels is attained in less than 10 ns at these high pressures and temperatures. Finally, the measured linewidths exhibit an almost linear dependence on shock temperature, and also suggest that the vibrational dephasing time has decreased to less than 1 ps at the highest pressures.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 3
    Digitale Medien
    Digitale Medien
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 6765-6771 
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: Vibrational spectra of liquid oxygen, shock compressed to several high-pressure/high-temperature states, were obtained using single-pulse multiplex coherent anti-stokes Raman scattering (CARS). The experimental spectra were compared to synthetic spectra calculated using a semiclassical model for the CARS intensities and best fit vibrational frequencies, peak Raman susceptibilities, and Raman linewidths. Up to the maximum shock pressure of 9.6 GPa, the vibrational frequencies were found to increase monotonically with pressure. An empirical fit, which could be used as a pressure/temperature/frequency calibration standard, showed that the Raman frequency shifts could be accurately described by linear pressure and temperature dependences. Above ≈9 GPa, the liquid oxygen opacity at 632.8 nm increased rapidly, presumably because of proximity (collision)-induced absorption. Calculations showed that the induced absorption did not resonantly enhance the CARS spectra, but did attenuate the laser beams and the CARS signals. The measured linewidths suggest that the vibrational dephasing time decreased to approximately 1 ps at the highest pressures.
    Materialart: Digitale Medien
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  • 4
    Digitale Medien
    Digitale Medien
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 89 (1988), S. 2312-2323 
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: The standard NVT ensemble Metropolis Monte Carlo method is modified to include uniformly weighted steps in ln β as well as weighted steps in U, the total potential energy. This simulation is used to sample a soft sphere (r−12 potential) fluid over a very wide range of energies. For each r−12 energy U12 , the corresponding r−6 energy U6 is also recorded. Information from the simulation is used to determine relative values of the configurational density of states γ12(U12 ) (i.e., the number of configurations with total potential energy between U12 and U12+dU12) for the soft sphere fluid over a large range in energy. Then using the distribution of U6 at each U12, the configurational density of states for arbitrary linear combinations of U12 and U6 is determined and the equation of state for the Lennard-Jones fluid is evaluated for a wide range of densities and temperatures in a very efficient manner. The generalization to simulations of other linear combinations of potentials is discussed.
    Materialart: Digitale Medien
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  • 5
    Digitale Medien
    Digitale Medien
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 94 (1991), S. 7550-7553 
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: A new Monte Carlo simulation method is introduced which gives the equilibrium chemical composition of a molecular fluid directly. The usual NPT ensemble (isothermal–isobaric)is implemented with N being the number of atoms instead of molecules. Changes in chemical composition are treated as correlated spatial moves of atoms.
    Materialart: Digitale Medien
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  • 6
    Digitale Medien
    Digitale Medien
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 80 (1996), S. 6129-6141 
    ISSN: 1089-7550
    Quelle: AIP Digital Archive
    Thema: Physik
    Notizen: Sound speeds, at pressure, and the overdriven Hugoniot were measured for the plastic-bonded explosive PBX-9501. The two curves intersect at the Chapman–Jouguet (CJ) state because of the sonic condition D=c+u. This permitted a novel determination of the "thermodynamic'' CJ pressure. A value of 34.8±0.3 GPa was obtained. The data permit a direct experimental determination of the isentropic gamma, γS=−(∂lnP/∂lnV)S, and the Grüneisen parameter, γ=V(∂P/∂E)V, in the overdriven pressure range. © 1996 American Institute of Physics.
    Materialart: Digitale Medien
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  • 7
    Digitale Medien
    Digitale Medien
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 88 (2000), S. 6287-6293 
    ISSN: 1089-7550
    Quelle: AIP Digital Archive
    Thema: Physik
    Notizen: Continuous release isentropes for the plastic-bonded explosive PBX-9501 are obtained from velocity interferometer system for any reflector measurements at a high-explosive/LiF interface. Forward calculations from a tabular representation of the isentropes to the measured u(t) data at the interface are iterated to yield isentropes that give agreement with the data. Curves for the isentropes and for the isentropic gamma, γS=−(∂lnP/∂lnV)S are presented. Because isentropes from different overdriven states differ, a crude estimate of the Grüneisen parameter is obtained. An overall representation of the data is achieved with this Grüneisen parameter and a single isentrope through the Chapman–Jouguet state. © 2000 American Institute of Physics.
    Materialart: Digitale Medien
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  • 8
    Digitale Medien
    Digitale Medien
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 62 (1987), S. 2080-2085 
    ISSN: 1089-7550
    Quelle: AIP Digital Archive
    Thema: Physik
    Notizen: The clustering of carbon in the detonation regime is studied with the assumption of a diffusion-limited clustering process. The diffusion constants are determined from modified Enskog theory and the Stokes–Einstein relation. With the size dependence of the cluster energy treated with a surface term, the energy difference between clusters and bulk carbon has an asymptotic time dependence of t−1/3. That is, for any given time it takes 1000 times as long to release the next 90% of the carbon energy. This leads to a very slow "reaction rate'' which can couple to the reaction zone to produce nonideal time-dependent detonations on the scale of microseconds and centimeters. In addition, any "bottleneck'' in the clustering process due to a sticking coefficient of less than one leads to a temporary delay in energy release that persists out to times several orders of magnitude larger than the time scale of the initial effect of the "bottleneck.''
    Materialart: Digitale Medien
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  • 9
    Digitale Medien
    Digitale Medien
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 101 (1994), S. 3488-3494 
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: Single-pulse multiplex coherent anti-Stokes Raman scattering (CARS) was used to obtain vibrational spectra of 20%/80% liquid nitrogen/argon mixtures, shock compressed to several high-pressure/high-temperature states. A semiclassical model for CARS spectra was used to extract best fit vibrational frequencies, peak Raman susceptibilities, and Raman linewidths from the data. Up to a maximum single shock pressure of 17.1 GPa, the N2 vibrational frequency was found to increase monotonically with pressure. The vibrational frequencies measured in both the singly and doubly shocked N2/Ar mixtures correspond within experimental error to those for pure nitrogen at equivalent pressures and temperatures, implying that the influence of the interaction potential on the N2 vibrational frequency for the N2/Ar collision is not significantly different from that of a N2/N2 collision at these conditions. The transition intensity and linewidth data suggest that thermal equilibrium of the vibrational levels is attained in less than 10 ns at these shock pressures. Vibrational temperatures obtained were used to improve the potential function of argon used to calculate equation-of-state pressures and temperatures. The measured linewidths suggest that the nitrogen vibrational dephasing time decreased to about 1 ps at the highest pressure shock state.
    Materialart: Digitale Medien
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  • 10
    Digitale Medien
    Digitale Medien
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 98 (1993), S. 9379-9388 
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: Vibrational spectra of liquid nitrogen/carbon monoxide mixtures, shock compressed to several high-pressure/high-temperature states, were obtained using single-pulse multiplex coherent anti-Stokes Raman scattering (CARS). The experimental spectra were compared to synthetic spectra calculated with a semiclassical model for CARS intensities and using best fit vibrational frequencies, peak Raman susceptibilities, and Raman linewidths. Up to a maximum shock pressure of 9.3 GPa, both the N2 and CO vibrational frequencies were found to increase monotonically with pressure but depended strongly on the nitrogen/carbon monoxide mixture ratio. An empirical fit of the Raman frequency shifts incorporating previously published neat nitrogen and carbon monoxide data, using a functional form dependent on pressure, temperature, and mixture ratio, accurately describes both the N2 and CO shifts. The transition intensity and linewidth data suggest that thermal equilibrium of the vibrational levels is attained in less than 10 ns at these shock pressures and the vibrational temperatures obtained were used to improve the potential function used to calculate equation-of-state pressures and temperatures. The measured linewidths were different for N2 and CO and suggest that the vibrational dephasing time decreased to a few ps at the highest pressure shock state.
    Materialart: Digitale Medien
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