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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Inelastic rate coefficients for collisions of C 4 H - with H 2

Carbon-chain anions were recently detected in the interstellar medium. These very reactive species are used as tracers of the physical and chemical conditions in a variety of astrophysical environments. However, the local thermodynamic equilibrium conditions are generally not fulfilled in these environments. Therefore, collisional as well as radiative rates are needed to accurately model the observed emission lines. We determine in this work the state-to-state rate coefficients of C 4 H- in collision with both ortho- and para-H 2 . A new ab initio 4D potential energy surface was computed using explicitly correlated coupled-cluster procedures. This surface was then employed to determine rotational excitation and de-excitation cross-sections and rate coefficients for the first 21 rotational levels (up to rotational level j 1 = 20) using the close-coupling method, while the coupled-state approximation was used to extend the calculations up to j 1 = 30. State-to-state rate coefficients were obtained for the temperature range 2–100K. The differences between the ortho- and para-H 2 rate coefficients are found to be small.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1977

Line strengths, collision strengths and excitation rates for multiply-charged silicon ions

In the present paper, the line strengths, collision strengths, and rate coefficients are calculated for a variety of transitions in multiply charged silicon ions from Si(VI) to Si(XIV). The line strengths are obtained by using Clementi wave functions for the ground-state configuration, and excited-state wave functions generated by a semiempirical method. The collision strengths are calculated in an LS coupling scheme in the distorted-wave approximation, neglecting exchange except for the helium-like transitions. These results are then integrated over a Maxwellian velocity distribution function to yield rate coefficients. The rates are presented graphically and also in terms of a two-parameter fit.

Davis, J.↗
NASA NTRS1993

Vibrational nonequilibrium effects on diatomic dissociation rates

The collision-induced dissociation rate of diatomic molecules from a ladder of rotational and anharmonic vibrational states is developed, and the correction for vibrational nonequilibrium is considered. The result is similar to an analytic correction derived by Hammerling et al. (1959) for harmonic oscillators. An empirical correction algorithm suggested by Park (1987, 1990) gives similar results when vibrational temperature is comparable to kinetic temperature but underestimates the dissociation rate when vibrational temperature is small compared with the kinetic temperature. This algorithm uses an effective temperature in the experimentally determined Arrhenius expression for the rate coefficient, which is a weighted average of the vibrational and kinetic temperature, whereas theory indicates that kinetic temperature should appear only in the exponential term of the Arrhenius expression. Nevertheless, an effective temperature can always be found that will numerically duplicate the proper rate coefficient at any given condition, but a constant weighting factor cannot be expected to provide this. However, the algorithm can he adjusted to give reasonable results over a range of conditions if the geometric weighting factor is taken to be a simple linear function of the ratio of vibrational to kinetic temperature in the gas.

Hansen, C. F.↗
NASA NTRS2018

A Simple, Velocity Dependent, Collision Probability Algorithm for Small Combined Hard Body Radii Close Approach Events

Over the last few years progress has been made in the velocity dependent collision probability problem. Recent progress in this problem has been approached via integration of the probability flux into the surface of the combined hard body object. The algorithm presented uses the surface flux approach and is designed to compute the collision probability rate between two objects given their time dependent states and state error covariance matrices. With regards to the computation of the collision probability (Pc) rate, two major differences exist between the development of this algorithm and the usual Pc algorithm. First, the shape of the at-risk volume is assumed to be a cube rather than a sphere. The size of the cube is chosen so that it circumscribes the usual hard body sphere chosen for the spherical Pc problem. This will result in half the length of a side of the cube being equal to the hard body radius (HBR) of the sphere. Second, it is assumed that the HBR of the cube is much smaller than the smallest combined position uncertainty (σ(sub min) > 5*HBR) at each time point of evaluation. This is necessary as the actual collision probability calculation is based on a first order, small variable expansion in the position components of the Gaussian probability density function. This leads to the collision probability rate being to second order in the combined HBR. The collision probability rate is in a concise, closed form containing exponential and error functions.

Frisbee, Joe↗
NASA NTRS1989

Association reactions at low pressure. II - The CH3(+)/CH3CN system

The reaction between CH3(+) and CH3CN is examined at pressures between 8 x 10 to the -8th and 1 x 10 to the -3rd Torr in an ion cyclotron resonance mass spectrometer. At pressures below 3 x 10 to the -5th Torr the reaction is bimolecular and proceeds through exothermic channels with a rate coefficient of 1.8 x 10 to the -9th cu cm/s. Competing with the exothermic bimolecular process is a bimolecular association which, it is suggested, results from radiative stabilization of (CH3CNCH3+)-asterisk. At pressures above 3 x 10 to the -5th Torr the reaction becomes termolecular with a rate coefficient 1.9 x 10 to the -22nd cm exp 6/s. The change to termolecular kinetics is due to an increasing fraction of the (CH3CNCH3+)-asterisk complexes being stabilized by collision. At still higher pressures the reaction becomes bimolecular again, corresponding to the onset of saturation when almost every complex is stabilized by collision and the rate coefficient approaches the collision rate.

Mcewan, Murray J.↗
NASA NTRS1995

Collisional Time Scales in the Kuiper Disk and Their Implications

We explore the rate of collisions among bodies in the present-day Kuiper Disk as a function of the total mass and population size structure of the disk. We find that collisional evolution is an important evolutionary process in the disk as a whole, and indeed, that it is likely the dominant evolutionary process beyond approx. 42 AU, where dynamical instability time scales exceed the age of the solar system. Two key findings we report from this modeling work are: that unless the disk's population structure is sharply truncated for radii smaller than approx. 1-2 km, collisions between comets and smaller debris are occurring so frequently in the disk, and with high enough velocities, that the small body (i.e., KM-class object) population in the disk has probably developed into a collisional cascade, thereby implying that the Kuiper Disk comets may not all be primordial, and that the rate of collisions of smaller bodies with larger 100 less R less 400 km objects (like 1992QB(sub 1) and its cohorts) is so low that there appears to be a dilemma in explaining how QB(sub 1)s could have grown by binary accretion in the disk as we know it. Given these findings, it appears that either the present-day paradigm for the formation of Kuiper Disk is failed in some fundamental respect, or that the present-day disk is no longer representative of the ancient structure from which it evolved. This in turn suggests the intriguing possibility that the present-day Kuiper Disk evolved through a more erosional stage reminiscent of the disks around the stars Beta Pictorus, alpha PsA, and alpha Lyr.

Stern, S. Alan↗
DOE OSTI2025

Erratum: Centrality-Dependent Modification of Jet-Production Rates in Deuteron-Gold Collisions at $\sqrt{𝑠_{𝑁⁢𝑁}}$ = 200 GeV [Phys. Rev. Lett. 116, 122301 (2016)]

We previously reported jet-production rates in 𝑝 + 𝑝 and 𝑑 + Au collisions at $\sqrt{𝑠_{𝑁⁢𝑁}}$ = 200 GeV recorded in 2008 with the PHENIX detector at the Relativistic Heavy Ion Collider. Subsequently, we found that electronic noise in the electromagnetic calorimeter was not completely removed by the tower-timing cuts used in the analysis. We have conducted an independent re-analysis of the data that eliminated noisy towers by removing them completely from the analysis. These cuts remove any contributions from instrumental noise, but reduce the overall acceptance for electromagnetic clusters by ≈16% and hence the overall statistical power of the data. Finally, this re-analysis found that instrumental noise in the electromagnetic calorimeter led to an artificial increase in the jet yield for both the 𝑝 + 𝑝 and 𝑑 + Au collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1993

Excitation rate coefficients and line ratios for the optical and ultraviolet transitions in S II

New calculations are reported for electron excitation collision strengths, rate coefficients, transition probabilities, and line ratios for the astrophysically important optical and UV lines in S II. The collision strengths are calculated in the close coupling approximation using the R-matrix method. The present calculations are more extensive than previous ones, including all transitions among the 12 lowest LS terms and the corresponding 28 fine-structure levels in the collisional-radiative model for S II. While the present rate coefficients for electron impact excitation are within 10-30 percent of the previous values for the low-lying optical transitions employed as density diagnostics of H II regions and nebulae, the excitation rates for the UV transitions 4S super 0 sub 3/2 - 4Psub 1/2,3/2,5/2 differ significantly from earlier calculations, by up to factor of 2. We describe temperature and density sensitive flux ratios for a number of UV lines. The present UV results are likely to be of interest in a more accurate interpretation of S II emission from the Io plasma torus in the magnetosphere of Jupiter, as well as other UV sources observed from the IUE, ASTRO 1, and the HST.

Cai, Wei↗
DOE OSTI2025

Dissociative electron recombination and rotational cooling of the deuterated triatomic hydrogen ions H 2 ⁡D + and D 2 ⁢H +

We have measured the dissociative recombination (DR) of the deuterated triatomic hydrogen ions H 2 ⁡D + and D 2 ⁢H + as a function of storage time at the Cryogenic Storage Ring (CSR). Both molecular ions were stored for up to 1000 s inside the cryogenic vacuum of the CSR prior to the electron recombination measurements, allowing them to cool to their lowest rotational states. We implement a comprehensive model for all relevant processes to predict the internal state evolution of the ions during storage inside the CSR, employing calculated radiative transition strengths and state-selective rate coefficients for electron collisions. Our DR rate coefficient measurements with deuterated triatomic hydrogen ions in defined quantum states allow for meaningful comparisons with state-of-the-art theoretical calculations, paving the way for a better understanding of the complex DR process for polyatomic molecular ions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Collisional Excitation and Non-LTE Modeling of Interstellar Chiral Propylene Oxide

Abstract The first set of theoretical rotational cross sections for propylene oxide (CH 3 CHCH 2 O) colliding with cold He atoms has been obtained at the full quantum level using a high-accuracy potential energy surface. By scaling the collision reduced mass, rotational rate coefficients for collisions with para-H 2 are deduced in the temperature range 5–30 K. These collisional coefficients are combined with radiative data in a non-LTE radiative transfer model in order to reproduce observations of propylene oxide made toward the Sagittarius B2(N) molecular cloud with the Green Bank and Parkes radio telescopes. The three detected absorption lines are found to probe the cold (∼10 K) and translucent ( n H ∼ 2000 cm −3 ) gas in the outer edges of the extended Sgr B2(N) envelope. The derived column density for propylene oxide is N tot ∼ 3 × 10 12 cm −2 , corresponding to a fractional abundance relative to total hydrogen of ∼2.5 × 10 −11 . The present results are expected to help our understanding of the chemistry of propylene oxide, including a potential enantiomeric excess, in the cold interstellar medium.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1985

Redistribution of radiation in the absence of collisions

Redistribution and depolarization of near-resonant radiation is studied for the He 2(1P)-3(1D) line (668 nm) and some data for H-alpha (656 nm) are also presented. A Nd:YAG pumped dye laser, with a bandwidth of 0.1/cm and a power density of 100 kW/sq cm, is used in the experiment. The transitions have lower levels with natural line widths that are large compared with their upper-level natural widths, and, under experimental conditions, their collisional widths are also small. The ratio of fluorescence to Rayleigh intensity is measured and the results indicate that while the Rayleigh emission has the same temporal development as the laser pulse (5 ns FWHM), the fluorescent intensity has a decay time determined by the radiative decay lifetime and by collisional quenching. The prediction that redistribution of radiation occurs in the absence of collisions for transitions having significant lower-level radiative widths is confirmed. Depolarization rates by collisions with helium are also inferred from the measurements.

Lombardi, G. G.↗
NASA NTRS1976

Deviation from a Maxwellian velocity distribution in regions of interstellar molecular hydrogen

The deviation from a Maxwellian velocity distribution caused by excitation of the J = 2 rotational level of parahydrogen (followed by radiative decay) in a molecular hydrogen gas is investigated. It is noted that inelastic collisions deplete the high-velocity tail of the distribution, while elastic collisions tend to refill it; the resulting steady-state distribution has a small depletion in the tail which slightly reduces the cooling rate of the gas. The elastic-collision transport is approximated by a continuous process, a simplified expression is obtained for the inelastic-collision operator, and the Boltzmann equation is then solved analytically. A correction to the inelastic-collision rate is evaluated, and it is found that the relative magnitude of the effect of tail depletion on the inelastic-collision rate is strongly temperature-dependent. The critical molecular density above which the J = 2 level deexcites by superelastic collisions is shown to be a weak function of temperature.

Gould, R. J.↗
NASA NTRS1977

An experimental estimate of the O/+/-O resonant charge transfer cross section, collision frequency, and energy transfer rate

The resonant-charge-transfer cross section dominates the interaction between neutral and ionized atomic oxygen at temperatures greater than several hundred degrees Kelvin. This cross section is of direct importance to F-region studies of ion diffusion, ion thermal balance, and neutral atmospheric winds and pressure gradients, since it determines collision frequencies and energy and momentum transfer rates. However, the uncertainty in this cross section is roughly 25-40%. Incoherent-scatter measurements allow determination of the product of the atomic oxygen concentration multiplied by the cross section. If present-day atmospheric models are accepted as statistically representative of F-region atomic oxygen concentrations experimental (aeronomical) data presented indicate that the resonant-charge-transfer cross section is about 1.3 times greater than the value presently in general use, though in excellent agreement with the only other available (laboratory) experimental value. This revised cross section has obvious implications for thermospheric studies.

Carlson, H. C.↗
NASA NTRS1990

Collision-induced gas phase dissociation rates

The Landau-Zener theory of reactive cross sections was applied to diatomic molecules dissociating from a ladder of vibrational states. The result predicts a dissociation rate that is quite well duplicated by an Arrhenius function having a preexponential temperature dependence of about T(sub -1/2), at least for inert collision partners. This relation fits experimental data reasonably well. The theory is then used to calculate the effect of vibrational nonequilibrium on dissociation rate. For Morse oscillators, the results are about the same as given by Hammerling, Kivel, and Teare in their analytic approximation for harmonic oscillators, though at very high temperature a correction for the partition function limit is included. The empirical correction for vibration nonequilibrium proposed by Park, which is a convenient algorithm for CFD calculations, is modified to prevent a drastic underestimation of dissociation rates that occurs with this method when vibrational temperature is much smaller than the kinetic temperature of the gas.

Hansen, C. Frederick↗