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  • American Institute of Physics (AIP)  (10)
  • Wiley  (4)
  • 2015-2019  (6)
  • 2010-2014  (2)
  • 1985-1989  (6)
  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 90 (1989), S. 2944-2950 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Measurements of the absorption by pure CO2 in the 4.3 μm region are presented. They refer to the temperature of 291 K and densities in the 1–80 amagat range. Calculations based on the addition of Lorentzian contributions strongly overestimate the absorption since they do not account for line overlapping. The energy corrected sudden approximation (ECSA) is used to model line mixing within the impact approximation. The scaling parameters of this model are deduced from line-broadening data. This calculation strongly underestimates the absorption in the spectral region near the edges of the vibrational band, whereas it overestimates the absorption in the far wings of the lines. This is attributed to the impact approximation which does not account for the frequency dependence of the relaxation operator. This dependence is roughly determined from our results; it is in good qualitative agreement with the few corresponding available results.
    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 88 (1988), S. 2999-3006 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The ability of available theoretical models in describing broadening mechanisms is tested for the CO2–O2, CO2–CO2, and CO2–N2 systems. It is shown that the Anderson–Tsao–Curnutte theory is inaccurate since short-range forces can contribute significantly to broadening. We use the approach of Robert and Bonamy, but the usual expansion of the atom–atom potential to the fourth order around the intermolecular distance appears insufficient at short distances for these particular systems. We propose a better representation of the radial dependence of the atom–atom potential, while keeping the previous analytical expression of the cross section. Satisfactory results are obtained for both the rotational quantum number dependence of room-temperature CO2–O2, CO2–CO2, and CO2–N2 half-widths and the evolution of CO2–N2 broadening with temperature. It is shown that the isotropic part of the potential involved in the trajectory calculation must be coherently deduced from the atom–atom interaction potential.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 5916-5925 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In order to understand the influence of H2O on the stimulated Raman Q-branch spectra of nitrogen in combusting media, an exhaustive theoretical and experimental study has been carried out. Starting from a semiclassical model, particularly convenient at high temperature, the Q-line broadening and shifting coefficients have been calculated over a wide temperature range and for a large number of lines. Stimulated Raman Spectra (SRS) measurements have allowed us to test these calculated line broadening coefficients and thus establish the high accuracy of semiclassical values. The theoretical broadening coefficients have been inverted to deduce state-to-state rotational relaxation rates by using two types of fitting laws. A partial test of the resulting Q-branch profiles has been realized at moderate pressures leading to a discrimination between these two laws. Furthermore, the effect of rotational energy transfers on collisionally narrowed profiles at higher densities has been simulated and compared with the pure N2 case.
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  • 4
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Numerous comparisons between predictions of the model presented in part I of this paper and experimental H2O infrared linewidths are presented. It is shown that our model, contrary to those used up to now, gives accurate results for H2O room-temperature line broadening by O2 and Ar, and for high rotational quantum-number lines by N2. First accurate experimental widths and intensities of some H2O ν2-band lines in the 400–900 K temperature range are also presented. Detailed analysis of the data demonstrates the great influence of a "resonance overtaking'' mechanism. The latter results from the modifications of both the perturber rovibrational population distribution and kinetic energy with temperature; it strongly enhances the contributions of the collision-induced rotational transitions involving significant energy jumps. This mechanism is well accounted for by our model and quantitatively explains the unusually slow decrease of some linewidths with temperature.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 87 (1987), S. 2781-2789 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A semiclassical theory of asymmetric-top molecule line broadening, developed in part I of this series of papers for linear perturbers, is extended to asymmetric-top perturbers. This model has been successfully applied in part II to the broadening of H2O lines by N2, O2, and Ar. The present applications to the self-broadening of H2O infrared and Raman lines in the 300–900 K range also show the quality of the model. Due to the high electrostatic forces involved in the H2O–H2O interaction, the short-range anisotropic potential has little influence. Nevertheless, the need for a modeling of the trajectory is demonstrated, mainly in the case of high rotational quantum number lines.
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  • 6
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 84 (1986), S. 4256-4267 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A semiclassical theory of infrared linewidths in the gas, previously developed for linear molecules, is extended to asymmetric top molecules. It includes a satisfactory treatment of the close collisions and is consequently adapted to describe the temperature dependence of the linewidths, in particular in the combustion temperature range. Numerical applications to the water vapor perturbed by nitrogen, oxygen, and argon show strong different behaviors following the nature of the perturber. For oxygen and argon perturbers, the contribution of close collisions is the predominant mechanism of line broadening. The consistency of the theoretical model is evidenced by comparison with precise measurements for H2O–N2, –O2, and Ar at 300 K. Moreover, the calculated temperature dependence of the linewidths is compared with recent experimental data for H2O–Ar between 1300 and 2300 K.
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  • 7
    Publication Date: 2016-03-05
    Description: Three-dimensional III-nitride micro-structures are being developed as a promising candidate for the future opto-electrical devices. In this study, we demonstrate a quick and straight-forward method to locally evaluate free-carrier concentrations and a crystalline quality in individual GaN:Si micro-rods. By employing micro-Raman mapping and analyzing lower frequency branch of A 1 (LO)- and E 1 (LO)-phonon-plasmon-coupled modes (LPP – ), the free carrier concentrations are determined in axial and planar configurations, respectively. Due to a gradual doping profile along the micro-rods, a highly spatially resolved mapping on the sidewall is exploited to reconstruct free carrier concentration profile along the GaN:Si micro-rods. Despite remarkably high free carrier concentrations above 1 × 10 20  cm −3 , the micro-rods reveal an excellent crystalline quality, without a doping-induced stress.
    Print ISSN: 0003-6951
    Electronic ISSN: 1077-3118
    Topics: Physics
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  • 8
    Publication Date: 2016-06-14
    Description: Ge under high strain is predicted to become a direct bandgap semiconductor. Very large deformations can be introduced using microbridge devices. However, at the microscale, strain values are commonly deduced from Raman spectroscopy using empirical linear models only established up to ε 100  = 1.2% for uniaxial stress. In this work, we calibrate the Raman-strain relation at higher strain using synchrotron based microdiffraction. The Ge microbridges show unprecedented high tensile strain up to 4.9% corresponding to an unexpected Δω = 9.9 cm −1 Raman shift. We demonstrate experimentally and theoretically that the Raman strain relation is not linear and we provide a more accurate expression.
    Print ISSN: 0003-6951
    Electronic ISSN: 1077-3118
    Topics: Physics
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  • 9
    Publication Date: 2012-04-15
    Description: Numerical modelling by finite element methods provides two significant insights into the formation of the giant amethyst geodes of the Paraná volcanic province: the conditions needed to open the cavities and the conditions that control their size and shape. Giant amethyst geodes were formed in the Cretaceous (135 Ma) in altered volcanic rocks by water vapour pressure (Δp) at about 0.5 MPa under an altered basalt cover of 5–20 m. Only rocks with Young’s modulus values (E) in the range 1–2 GPa can sustain ballooning, which is the growth of a cavity in a ductile medium by the pressure of water and its vapour. The size of the proto-geode is dependent on the water vapour pressure, which is directly related to thickness of the overlying basalt. Varying the yield points causes the formation of either prolate or oblate cavities. A low transition point (smaller than 0.18 MPa) generates a prolate-shaped cavity, whereas a high transition point (larger than 0.18 MPa) generates oblate proto-geodes. Proto-geodes are smaller when Young’s modulus is higher (rock is less altered) or when water vapour pressure is lower (because of thinner overburden of basalt). The calculations are an indication that the processes operative in the altered basalts led to the opening of giant cavities by ballooning.
    Print ISSN: 1468-8115
    Electronic ISSN: 1468-8123
    Topics: Geosciences
    Published by Wiley
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  • 10
    Publication Date: 2017-06-01
    Description: Terrestrial carbon export via inland aquatic systems is a key process in the global carbon cycle. It includes loss of carbon to the atmosphere via outgassing from rivers, lakes or reservoirs and carbon fixation in the water column as well as in sediments. This review focuses on headwater streams that are important because their stream biogeochemistry directly reflects carbon input from soils and groundwaters that becomes superimposed by additional inputs further downstream. Major drivers of carbon dioxide partial pressures ( p CO 2 ) in streams and mechanisms of terrestrial dissolved inorganic, organic and particulate organic carbon (DIC, DOC, and POC) influxes are summarized in this work. Our analysis indicates that the global river average p CO 2 of 3,100 ppmV is more often exceeded by contributions from small streams when compared to rivers with larger catchments (〉500 km 2 ). Because of their large proportion in global river networks (〉96 % of the total number of streams), headwaters contribute large – but still poorly quantified – amounts of CO 2 to the atmosphere. Conservative estimates imply that globally 36 % (i.e. 0.93 Pg C yr -1 ) of total CO 2 outgassing from rivers and streams originate from headwaters. We also discuss challenges in determination of CO 2 sources, concentrations and fluxes. To overcome uncertainties of CO 2 sources and its outgassing from headwater streams on the global scale, new investigations are needed that should include groundwater data. Such studies would also benefit from applications of integral CO 2 outgassing isotope approaches and multi-scale geophysical imaging techniques.
    Print ISSN: 8755-1209
    Topics: Geosciences
    Published by Wiley on behalf of American Geophysical Union (AGU).
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