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At least 397 records · Page 22

Molecular spectroscopy and collisional excitation

The paper examines the basic principles underlying the molecular transitions responsible for interstellar molecular spectra. The energy levels of molecules are discussed in detail with special attention given to the Born-Oppenheimer approximation, the electronic Hamiltonian, and the parameters of vibrational and rotational energy. The probabilities for radiative and collisional transitions are calculated. A brief review of techniques for molecular spectroscopy is presented along with methods used to determine collision cross sections on both an experimental and a theoretical basis.

Green, S.↗

Dust coagulation in ISM

Coagulation is an important mechanism in the growth of interstellar and interplanetary dust particles. The microphysics of the coagulation process was theoretically analyzed as a function of the physical properties of the coagulating grains, i.e., their size, relative velocities, temperature, elastic properties, and the van der Waal interaction. Numerical calculations of collisions between linear chains provide the wave energy in individual particles and the spectrum of the mechanical vibrations set up in colliding particles. Sticking probabilities are then calculated using simple estimates for elastic deformation energies and for the attenuation of the wave energy due to absorption and scattering processes.

Chokshi, Arati↗

Cross Sections for Electron Impact Excitation of Ions Relevant to Planetary Atmospheres Observation

The goal of this research grant was to calculate accurate oscillator strengths and electron collisional excitation strengths for inelastic transitions in atomic species of relevance to Planetary Atmospheres. Large scale configuration-interaction atomic structure calculations have been performed to obtain oscillator strengths and transition probabilities for transitions among the fine-structure levels and R-matrix method has been used in the calculations of electron-ion collision cross sections of C II, S I, S II, S III, and Ar II. A number of strong features due to ions of sulfur have been detected in the spectra of Jupiter satellite Io. The electron excitation cross sections for the C II and S II transitions are studied in collaboration with the experimental atomic physics group at the Jet Propulsion Laboratory. There is excellent agreement between experiment and theory which provide an accurate and broad-base test of the ability of theoretical methods used in the calculation of atomic processes. Specifically, research problems have been investigated for: electron impact excitation cross sections of C II: electron impact excitation cross sections of S III; energy levels and oscillator strengths for transitions in S III; collision strengths for electron collisional excitation of S II; electron impact excitation of inelastic transitions in Ar II; oscillator strengths of fine-structure transitions in neutral sulfur; cross sections for inelastic scattering of electrons from atomic nitrogen; and excitation of atomic ions by electron impact.

Tayal, Swaraj S.↗

Prioritizing Uncertainties in Hydrogen Contribution to Risk in Post-Crash Outcomes for Rail

This report presents analysis from Sandia National Laboratories predicting contributions to risk associated with the use of hydrogen technology for rail. Event sequence diagrams are used to describe possible accident scenarios and progressions. Initiating event frequencies and branch event probabilities for each scenario are quantified with uncertainty using distributions fit to Federal Railroad Administration and U.S. Department of Transportation Pipeline and Hazardous Materials Safety Administration data on applicable accidents from 2000 to 2020. Uncertainty is propagated through the event sequence diagram to estimate the frequency and conditional probability of accident end states. The analysis identifies four scenarios with significant contributions to risk from hydrogen that are predicted to occur relatively frequently, which may inform priorities for reducing uncertainty. These scenarios are 1) overpressure events resulting from collisions with hydrogen release due to mechanical damage and delayed ignition, 2) jet fire events resulting from collisions with hydrogen release due to mechanical damage and immediate ignition, 3) jet fires resulting from fire or explosion initiating events involving the hydrogen tank and correct operation of the thermally-activated pressure relief device (TPRD) subsequent to the thermal insult, and 4) pressure burst resulting from fire or explosion initiating events involving the hydrogen tank and failure of the TPRD. Delayed and immediate hydrogen ignition probabilities are identified as being highly uncertain and potential candidates for reducing conservatism in the predicted frequencies for these two scenarios.

08 HYDROGEN↗

Assessing the Impact of Measurement Precision on Metabolite Identification Probability in Multidimensional Mass Spectrometry-Based, Reference-Free Metabolomics

Identification of compounds with minimal ambiguity remains a central challenge in mass spectrometry-based metabolomics. Conventional compound identification relies on comparing analytical signatures (e.g., mass-to-charge ratio, collision cross section, tandem mass spectra) against reference data obtained from measurements of authentic chemical standards. The breadth of annotatable compounds using this approach is necessarily limited by availability of authentic standards, analytical throughput, and resolving power of the separations that underly the measurements. The maturation of computational methods, both theory-driven and artificial intelligence/machine learning-based, for prediction of various molecular properties relevant to multidimensional mass spectrometry measurements has opened the door to a new “reference-free” paradigm of compound annotation. Through augmenting existing reference data for molecular properties with computational predictions, the universe of identifiable chemical species can be expanded significantly beyond its current limits. An unexplored aspect of this novel approach is understanding how to gauge confidence in resulting annotations, especially as the compound search space is expanded. Intuitively, the confidence of a compound annotation is related to the inherent discriminatory power of the molecular properties used for identification, as well as the precision with which the properties are measured or predicted. In this work, we characterize this relationship between measurement precision and identification probability in a systematic and quantitative fashion for a defined region of chemical space that includes organic small molecule metabolites. Importantly, this work establishes a framework for conducting metabolite identification probability analysis that enables others to quantify this relationship for their own compounds and properties of interest.

Metabolite Identification↗

Preliminary Analysis of Two Years of the Massive Collision Monitoring Activity

It is hypothesized that the interactions between many of the most massive derelicts in low Earth orbit are more frequent than modeled by the traditional combination of kinetic theory of gases and Poisson probability distribution function. This is suggested by the fact that there are clusters of derelicts where members' inclinations are nearly identical and their apogees/perigees overlap significantly resulting in periodic synchronization of the objects' orbits. In order to address this proposition, an experiment was designed and conducted over the last two years. Results from this monitoring and characterization experiment are presented with implications for proposed debris remediation strategies. Four separate clusters of massive derelicts were examined that are centered around 775km, 850km, 975km, and 1500km, respectively. In aggregate, the constituents of these clusters contain around 500 objects and about 800,000kg of mass; this equates to a third of all derelict mass in LEO. Preliminary analysis indicates that encounter rates over this time period for these objects are greater than is estimated by traditional techniques. Hypothesized dependencies between latitude of encounter, relative velocity, frequency of encounters, inclination, and differential semi-major axis were established and verified. This experiment also identified specific repeatable cluster dynamics that may reduce the cost/risk and enhance the effectiveness of debris remediation activities and also enable new operational debris remediation options.

McKnight, Darren↗

Caught in headlights: Captive white-tailed deer responses to variations in vehicle lighting during imminent collision scenarios

Vehicle collisions with deer (Odocoileus spp.) cause billions of dollars in damages and injure thousands of drivers every year in the United States, and few mitigation methods have proven effective. However, recent research suggests that vehicle lighting might influence white-tailed deer (Odocoileus virginianus; hereafter, deer) responses to oncoming vehicles. Most new vehicles are manufactured with light emitting diode (LED) headlights which differ in total radiance and wavelength of light emitted compared to the previous industry standard of tungstenhalogen (halogen) headlights. Also, frontal vehicle illumination through rear-facing lighting has shown promise in enhancing deer responses to vehicles, but its effectiveness has not been tested under various headlight conditions (headlight type or intensity). As such, it remains unclear how these aspects of vehicle lighting affect deer responses to an approaching vehicle. We used 23 captive, wild-type deer to investigate how variations in vehicle lighting affect deer responses to an approaching vehicle at night, when most collisions occur. We released deer into a 95 m long, 3 m wide chute and approached them from the opposite end with an electric golf cart outfitted with two versions of stock 2017–2020 Ford Fusion headlights (LED and halogen) and a 51 cm rear-facing lightbar to test how vehicle lighting affected deer avoidance behaviors in an imminent, head-on collision scenario. Each deer received eight lighting treatments consisting of unique combinations of headlight type (LED vs. halogen), light intensity (low vs. high beam), and rear-facing lighting (lightbar off vs. on). We measured deer alert and flight behavior using infrared videography. We found that the halogen, high beam, lightbar off treatment had the greatest probability of evoking an alert response. Furthermore, when the lightbar was off, high beams appeared to increase alert probability for halogen headlights. Also, we found evidence that high beam, halogen headlights tend to increase alert probability over high beam, LED headlights, when the lighbar was off. We found no effect of our lighting treatments on deer alert distance, flight probability, or flight initiation distance. Across all behavioral responses, the random effect deer ID explained 0.86–9.19 × more variation than our lighting treatments, reflecting large differences in responses among deer. Overall, we found that vehicle lighting can impact deer behavior during an imminent, head-on collision scenario, although lighting was ineffective at increasing favorable flight behaviors. Future research should investigate how vehicle lighting treatments affect free-ranging, wild deer in a variety of real-world scenarios and at longer approach distances.

White-tailed deer (Odocoileus virginianus) Deer be↗

Multiplicity dependence of transverse momentum in hadronic collisions

The process of secondary-particle emission in hadron-hadron collisions is analytically studied using a simple model of hadron structure. The model neglects the 'size' of the hadron constituents, considering a hadron as a continuous distribution of matter according to a step function of radius R. A version of the eikonal approximation is applied to derive the relative probability for interaction and emission of secondaries when the impact parameter b is smaller than 2R. On the basis of these assumptions, and using the uncertainty relation, an empirical parameterization is obtained for the dependence of the transverse momentum of charged secondaries on their multiplicity in the case of high-energy proton-proton collisions. Comparison with experimental data at 28 GeV/c yields agreement to within about 3%. The analysis shows that at a fixed beam momentum, the transverse momentum decreases with increasing multiplicity, and that for a given multiplicity, the transverse momentum exhibits a slow increase with beam momentum.

Saint Amand, J.↗

Aspects of accretion in the early solar system

If formation of planetesimals took place by particle-particle interactions, rather than within gravitational instabilities, these interactions must have occurred at low relative velocities, leading to rates of growth which were two to three orders of magnitude slower than those characteristic of accretion within gravitational instabilities. Sticking efficiencies during particle-particle interactions are problematical, although early stages of growth were probably dominated by contact forces. Differences in accretion efficiency of metal and silicate particles probably led to the metal-silicate fractionation recorded in the composition of chondritic meteorites. It is likely that chondrules were made by particle-particle collisions prior to final accretion of planetesimals. This would have required a period of high relative velocities in an epoch otherwise characterized by low inter-particle velocities.

Kerridge, J. F.↗

The orbit properties of colliding co-orbiting bodies

It is generally assumed that an ensemble of small bodies located in similar Keplarian orbits will, because of collisions, tend to disperse into more and more dissimilar orbits. For example, it is thought that the asteroids may represent the remnants of a few larger bodies that broke up or failed to fully accrete. A proposed experiment using the space station consists of an ensemble of small bodies or particles released gently from a central location in a large chamber, much like the breaking of billiard balls. The particles would them co-orbit and occasionally collide. Their subsequent behavior could be monitored by several video recorders, their linear and angular velocities before and after collision calculated, and their general behavior studied. This experiment could yield results of fundamental importance for theories of the origin of the planets, asteroids, comets, and probably ring systems.

Freeman, J. W.↗

Ices in planetary rings

Understanding the structure and behavior of Saturnian rings in terms of properties of ices is basic for evolutionary planetology. The available information indicates the presence of quite pure, probably amorphous water ice in the form of medium-grained frost in a fairy castle structure with a low thermal inertia. Tidal forces and interparticle collisions lead to continuous break-up and re-formation of loose aggregates of smaller particles. Micrometeoroid bombardment and proton irradiation are important for explaining the mechanical and optical properties of the surfaces of ring particles. The transfer of angular momentum and mass among the rings should homogenize the chemical and structural characteristics of the ring ices. Uranian rings may be made of carbon-covered methane ice particles.

Smoluchowski, R.↗

Shielding materials for highly penetrating space radiations

Interplanetary travel involves the transfer from an Earth orbit to a solar orbit. Once outside the Earth's magnetosphere, the major sources of particulate radiation are solar cosmic rays (SCR's) and galactic cosmic rays (GCR's). Intense fluxes of SCR's come from solar flares and consist primarily of protons with energies up to 1 GeV. The GCR consists of a low flux of nuclei with energies up to 10(exp 10) GeV. About 70 percent of the GCR are protons, but a small amount (0.6 percent) are nuclei with atomic numbers greater than 10. High energy charged particles (HZE) interact with matter by transferring energy to atomic electrons in a Coulomb process and by reacting with an atomic nucleus. Energy transferred in the first process increases with the square of the atomic number, so particles with high atomic numbers would be expected to lose large amounts of energy by this process. Nuclear reactions produced by (HZE) particles produce high-energy secondary particles which in turn lose energy to the material. The HZE nuclei are a major concern for radiation protection of humans during interplanetary missions because of the very high specific ionization of both primary and secondary particles. Computer codes have been developed to calculate the deposition of energy by very energetic charged particles in various materials. Calculations show that there is a significant buildup of secondary particles from nuclear fragmentation and Coulomb dissociation processes. A large portion of these particles are neutrons. Since neutrons carry no charge, they only lose energy by collision or reaction with a nucleus. Neutrons with high energies transfer large amounts of energy by inelastic collisions with nuclei. However, as the neutron energy decreases, elastic collisions become much more effective for energy loss. The lighter the nucleus, the greater the fraction of the neutron's kinetic energy that can be lost in an elastic collision. Thus, hydrogen-containing materials such as polymers are most effective in reducing the energy of neutrons. Once neutrons are reduced to very low energies, the probability for undergoing a reaction with a nucleus (the cross section) becomes very high. The product of such a reaction is often radioactive and can involve the release of a significant amount of energy. Thus, it is important to provide protection from low energy neutrons during a long duration space flight. Among the light elements, lithium and boron each have an isotope with a large thermal neutron capture cross section, Li-6 and B-10. However, B-10 is more abundant in the naturally-occurring element than Li-6, has a thermal neutron capture cross section four times that of Li-6, and produces the stable products, He-4 and Li-7 in the interaction while Li-6 produces radioactive tritium (H-3). Thus, boron is the best light-weight material for thermal neutron absorption in spacecraft. The work on this project was focused in two areas: computer design where existing computer codes were used, and in some cases modified, to calculate the propagation and interactions of high energy charged particles through various media, and materials development where boron was incorporated into high performance materials.

Kiefer, Richard L.↗

Ionization Cross Sections and Dissociation Channels of DNA Bases by Electron Collisions

Free secondary electrons are the most abundant secondary species in ionizing radiation. Their role in DNA damage, both direct and indirect, is an active area of research. While indirect damage by free radicals, particularly by the hydroxyl radical generated by electron collision with water. is relatively well studied, damage by direct electron collision with DNA is less well understood. Only recently Boudaiffa et al. demonstrated that electrons at energies well below ionization thresholds can induce substantial yields of single- and double-strand breaks in DNA by a resonant, dissociative attachment process. This study attracted renewed interest in electron collisions with DNA, especially in the low energy region. At higher energies ionization becomes important. While Monte Carlo track simulations of radiation damage always include ionization, the probability of dissociative ionization, i.e., simultaneous ionization and dissociation, is ignored. Just like dissociative attachment, dissociative ionization may be an important contributor to double-strand breaks since the radicals and ions produced by dissociative ionization, located in the vicinity of the DNA coil, can readily interact with other parts of the DNA. Using the improved binary-encounter dipole (iBED) formulation, we calculated the ionization cross sections of the four DNA bases, adenine, cytosine, guanine, and thymine, by electrons at energies from threshold to 1 KeV. The present calculation gives cross sections approximately 20% lower than the results by Bemhardt and Paretzke using the Deutsch-Mark and Binary-Encounter-Bethe (BEB) formalisms. The difference is most likely due to the lack of a shielding term in the dipole potential used in the Deutsch-Mark and BEB formalisms. The dissociation channels of ionization for the bases are currently being studied.

Huo, Winifred M.↗

Application of radar for automotive collision avoidance. Volume 1: Technical report

The purpose of this project was research and development of an automobile collision avoidance radar system. The major finding was that the application of radar to the automobile collision avoidance problem deserves continued research even though the specific approach investigated in this effort did not perform adequately in its angle measurement capability. Additional findings were that: (1) preliminary performance requirements of a candidate radar system are not unreasonable; (2) the number and severity of traffic accidents could be reduced by using a collision avoidance radar system which observes a fairly wide (at least + or - 10 deg) field of view ahead of the vehicle; (3) the health radiation hazards of a probable radar design are not significant even when a large number of radar-equipped vehicles are considered; (4) effects of inclement weather on radar operation can be accommodated in most cases; (5) the phase monopulse radar technique as implemented demonstrated inferior angle measurement performance which warrants the recommendation of investigating alternative radar techniques; and (6) extended target and multipath effects, which presumably distort the amplitude and phase distribution across the antenna aperture, are responsible for the observed inadequate phase monopulse radar performance.

Lichtenberg, C. L.↗

A model of Triton's role in Neptune's magnetosphere

Escape of neutral hydrogen (H) and nitrogen (N) from Triton's maintains a large neutral cloud, called the Triton torus, in Neptune's magnetosphere. We have developed the first detailed Monte Carlo simulation model of the Triton torus that includes the collisionality, the complex geometry, the injection of two neutral species from Triton (H and N), and the combined effects of photoionization, electron impact ionization, and charge exchange. Ionization in Neptune's plasma sheet was modeled using Voyager plasma observations. Collisions cause both the H and N neutral clouds to become more radially extended, both toward Neptune and out beyond the magnetopause, as well as more extended in latitude, when compared with collisionless models. Moreover, collisions of H with the much more massive N greatly enhance the collisional ejection of H from the system and into Neptune's atmosphere. This effect decreases the probability of H ionization within the magnetosphere relative to that for N, and furthermore causes model results for two-species injection from Triton to differ significantly from those for H injection alone. For a hydrogen escape rate from Triton of 5 x 10(exp 25)/s, as given by photo-chemical models of Triton's upper atmosphere, a nitrogen escape rate of 5 x 10(exp 24)/s gives proton and N(+) sources of 5.6 x 10(exp 24)/s and 3.3 x 10(exp 24)/s, respectively, whose ratio is close to the observed ratio of protons to heavies. A nitrogen escape rate of 2 x 10(exp 25)/s, yields an N(+) source more than twice that of protons, inconsistent with the Voyager data.

Decker, R. B.↗

High Resolution UV Spectroscopy of H2 and N2 Applied to Observations of the Planets by Spacecraft

The next generation of high resolution UV imaging spacecraft are being prepared for studying the airglow and aurora of the Earth, the other terrestrial planets and the Jovian planets. To keep pace with these technological improvements we have developed a laboratory program to provide electron impact collision cross sections of the major molecular planetary gases (H2, N2, CO2, O2, and CO). Spectra under optically thin conditions have been measured with a high resolution (lambda/delta(lambda) = 50000) UV spectrometer in tandem with electron impact collision chamber. High resolution spectra of the Lyman and Wemer band systems of H2 have been obtained and modeled. Synthetic spectral intensities based on the J-dependent transition probabilities that include ro-vibronic perturbations are in very good agreement with experimental intensities. The kinetic energy distribution of H(2p,3p) atoms resulting from electron impact dissociation of H2 has been measured. The distribution is based on the first measurement of the H Lyman-alpha (H L(alpha)) and H Lyman-beta (H L(beta)) emission line Doppler profiles. Electron impact dissociation of H2 is believed to be one of the major mechanisms leading to the observed wide profile of H L-alpha from Jupiter aurora by the Hubble Space Telescope (HST). Analysis of the deconvolved line profile of H L-alpha reveals the existence of a narrow line peak (40 mA FWHM) and a broad pedestal base (240 mA FWHM). The band strengths of the electron excited N2 (C(sup 3) Pi(sub(upsilon) - B(sup 3)Pi(sub g)) second positive system have been measured in the middle ultraviolet. We report a quantitative measurement of the predissociation fraction 0.15 +/- 01(sup .045, sub .01) at 300 K in the N2 c'(sub )4 (1)sigma(sup +, sub g) - x(1)sigma(sup +, sub g)(00) band, with an experimental determination of rotational line strengths to be used to understand N2 EUV emission from Titan, Triton and the Earth.

Ajello, J.↗