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At least 1,585 records · Page 88

One-dimensional temperature measurement of supersonic jet flow by resonantly ionized photoemission thermometry of molecular nitrogen

As the field of fluid dynamics progresses, the demand for sophisticated diagnostic methods to accurately assess flow conditions rises. In this work, resonantly ionized photoemission thermometry (RIPT) has been used to directly target and ionize diatomic nitrogen (N 2 ) to measure one-dimensional (1D) temperature profiles in a supersonic jet flow. This technique can be considered non-intrusive as the premise uses resonantly enhanced multiphoton ionization (REMPI) to target molecular nitrogen. This resonance excites N 2 into absorption bands of the P, Q, and R rotational branches of N 2 ( b 1 Π u ). The ideal (3 + 1) REMPI scheme excites from the ground state and ionizes N 2 ( b 1 Π u ← X 1 Σ g + ) where de-excitation results in photoemission from the first negative band of ionized N 2 + ( B 2 Σ u + → X 2 Σ g + ) as nitrogen returns to the ground state. The resulting emission can be observed using an intensified camera, thus permitting inference of the rotational temperature of ground-state molecular nitrogen. A linearly regressive Boltzmann distribution is applied based on previous calibration data for this technique to quantify the temperature along the ionized line. This work applies this technique to a pure N 2 supersonic jet in cross-flow and counter-flow orientations to demonstrate N 2 RIPT’s applications in a supersonic flow. Temperature variations are observed at different locations downstream of the exit in cross-flow, and axisymmetric in counter-flow, to generate profiles characterizing the flow dynamics. Due to the collisional effects resulting from the number density of N 2 at higher pressures, a (3 + 2) REMPI scheme is observed throughout this text.

Clark, Aleksander (ORCID:0009000855600042)↗

Atomic Mixing of Initially Separated Mixtures

We consider the atomic mixing of two materials, initially separated in space, at fixed temperature– pressure conditions [T, p], and zero mass-mean velocity. Each material is composed of a specified set of atomic species whose density corresponds to the specieswise real Equation of State (EOS) $\tilde{&#961}$ i [T, p]. Because there are no spatial gradients in the mean [T, p] state, the only mechanism for mixing is a specieswise nonequilibrium thermal velocity distribution. The recipe for nonequilibrium species mass fluxes is taken directly from Hirschfelder, Curtiss, and Bird, who express the diffusion velocities in terms of gradients in the molar concentrations and pairwise coefficients of diffusion. EOS data from the SESAME library is used for all species. Data for the specieswise self diffusion coefficients is adopted from the Orbital Free Molecular Dynamics (OFMD) simulations of Ticknor et al.; the so-called Darken approximation is used to express the mutual diffusion coefficients of a mixture in the manner used by White et al. A one-dimensional spatial domain is used; with the left half occupied by one multispecies material and the right half occupied by the other, and with zero–gradient boundary conditions at the ends of the domain. Hence the total mass in the domain is a constant. At time t = 0 the materials are separated. Accordingly, spatial gradients at the separation point are infinite and the species fluxes are also infinite. As t → $\textbf{∞}$ the spatial gradients approach zero and a uniform set of species concentrations is obtained; at this point the system is said to be at “thermodynamic equilibrium.” Analytic solution of the problem is not possible in general due to the nonlinear concentration dependence of the species fluxes. Hence we utilize the numerical solution apparatus in Mathematica for obtaining accurate time-dependent solutions for the mixing of various initial species masses for conditions of interest in laser-driven Inertial Confinement Fusion. Concentration profiles and the speed of propagation of the mixing fronts are discussed in light of the nonlinearity of the problem.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Utilizing CellBox to Describe Varied Dynamical Systems

CellBox is a hybrid modeling framework that integrates machine-learning approaches with explicit mathematical modeling to determine the behavior of dynamical systems, intended for determining the complex interactions of molecule and phenotype within a cellular environment using perturbation/response-based data. The original work utilized analysis of a melanoma cell line, SK-Mel-133, which we sought to expand to and evaluate effectiveness in describing other nonlinear systems both within and outside of biology. We evaluated with two models. One model is based upon the free-fall of an object under a velocity-dependent drag force; this produced inherent perturbation/response data. The other model is based upon a form of mass-action molecular kinetics; for this, we ran the simulation to steady state in each species for each perturbation and select the steady state as input for CellBox. We determined that CellBox, outside of its original use case, can still strongly predict even non-biological dynamical systems in the small-perturbation regime, with r = 0.99977 to 0.85123, p < 0.05 for freefall. However, CellBox cannot accurately predict behavior within large-perturbation regimes, p >> 0.05 for freefall. In addition, we performed a naïve comparison of CellBox network structure to known network structure in the mass-action model to assess accuracy.

97 MATHEMATICS AND COMPUTING↗

Structural and Proteomic Studies of the Aureococcus anophagefferens Virus Demonstrate a Global Distribution of Virus-Encoded Carbohydrate Processing

Viruses modulate the function(s) of environmentally relevant microbial populations, yet considerations of the metabolic capabilities of individual virus particles themselves are rare. We used shotgun proteomics to quantitatively identify 43 virus-encoded proteins packaged within purified Aureococcus anophagefferens Virus (AaV) particles, normalizing data to the per-virion level using a 9.5-Å-resolution molecular reconstruction of the 1900-Å (AaV) particle that we generated with cryogenic electron microscopy. This packaged proteome was used to determine similarities and differences between members of different giant virus families. We noted that proteins involved in sugar degradation and binding (e.g., carbohydrate lyases) were unique to AaV among characterized giant viruses. To determine the extent to which this virally encoded metabolic capability was ecologically relevant, we examined the TARA Oceans dataset and identified genes and transcripts of viral origin. Our analyses demonstrated that putative giant virus carbohydrate lyases represented up to 17% of the marine pool for this function. In total, our observations suggest that the AaV particle has potential prepackaged metabolic capabilities and that these may be found in other giant viruses that are widespread and abundant in global oceans.

59 BASIC BIOLOGICAL SCIENCES↗

Taxonomic Re-Evaluation and Genomic Comparison of Novel Extracellular Electron Uptake-Capable Rhodovulum visakhapatnamense and Rhodovulum sulfidophilum Isolates

Rhodovulum spp. are anoxygenic phototrophic purple bacteria with versatile metabolisms, including the ability to obtain electrons from minerals in their environment to drive photosynthesis, a relatively novel process called phototrophic extracellular electron uptake (pEEU). A total of 15 strains of Rhodovulum sulfidophilum were isolated from a marine estuary to observe these metabolisms in marine phototrophs. One representative strain, Rhodovulum sulfidophilum strain AB26, can perform phototrophic iron oxidation (photoferrotrophy) and couples carbon dioxide fixation to pEEU. Here, we reclassify two R. sulfidophilum isolates, strainAB26 and strain AB19, as Rhodovulum visakhapatnamense using taxonomic re-evaluation based on 16S and pufM phylogenetic analyses. The strain AB26 genome consists of 4,380,746 base-pairs, including two plasmids, and encodes 4296 predicted protein-coding genes. Strain AB26 contains 22 histidine kinases, 20 response regulators, and dedicates ~16% of its genome to transport. Transcriptomic data under aerobic, photoheterotrophy, photoautotrophy, and pEEU reveals how gene expression varies between metabolisms in a novel R. visakhapatnamense strain. Genome comparison led by transcriptomic data under pEEU reveals potential pEEU-relevant genes both unique to R. visakhapatnamense strains and shared within the R. sulfidophilum genomes. With these data we identify potential pEEU-important transcripts and how speciation may affect molecular mechanisms of pEEU in Rhodovulum species from the same environment.

59 BASIC BIOLOGICAL SCIENCES↗

The Raman spectra of N-14O2 and N-15O2 solids at 20 K

The Raman spectra of N-14O2 and N-15O2 have been studied at 20 K. The far infrared of N-14O2 at 20 K was also measured. The data were assigned on the basis of a C-sub 2 nu molecular model. Normal coordinate calculations were performed for a variety of assignments. The assignment that yielded the best fit is presented. The solid state effects are discussed.

Durig, J. R.↗

Rocket exhaust plume impingement on the Voyager spacecraft

In connection with the conduction of the long-duration Voyager missions to the outer planets and the sophisticated propulsion systems required, it was necessary to carry out an investigation to avoid exhaust plume impingement problems. The rarefied gas dynamics literature indicates that, for most engineering surfaces, the assumption of diffuse reemission and complete thermal accommodation is warranted in the free molecular flow regime. This assumption was applied to an analysis of a spacecraft plume impingement problem in the near-free molecular flow regime and yielded results to within a few percent of flight data. The importance of a correct treatment of the surface temperature was also demonstrated. Specular reflection, on the other hand, was shown to yield results which may be unconservative by a factor of 2 or 3. It is pointed out that one of the most difficult portions of an exhaust plume impingement analysis is the simulation of the impinged hardware. The geometry involved must be described as accurately and completely as possible.

Baerwald, R. K.↗

An ab initio investigation of the structure, vibrational frequencies, and intensities of HO2 and HOCl

The infrared spectral intensities for HOCl and HO2 have been calculated using a new ab initio technique. Theoretical results for the geometries, vibrational frequencies, and the dipole moments of these species are also reported. All of the calculations were performed at the SCF level using near Hartree-Fock quality basis sets. The results for the molecular geometries and the vibrational frequencies are in good agreement with available experimental data. It is believed that the computed intensities are accurate to at least 50%. The results should be helpful in attempts to determine the stratospheric abundance of HOCl and HO2 by in situ infrared spectroscopic measurements.

Komornicki, A.↗

Effects of the Shuttle Orbiter fuselage and elevon on the molecular distribution of water vapor from the flash evaporator system

A concern has arisen regarding the emissive distribution of water molecules from the shuttle orbiter flash evaporator system (FES). The role of the orbiter fuselage and elevon in affecting molecular scattering distributions was nuclear. The effect of these components were evaluated. Molecular distributions of the water vapor effluents from the FE were measured. These data were compared with analytically predicted values and the resulting implications were calculated.

Richmond, R. G.↗

Molecular carbon isotopic evidence for the origin of geothermal hydrocarbons

Isotopic measurements of individual geothermal hydrocarbons that are, as a group, of higher molecular weight than methane are reported. It is believed in light of this data that the principal source of hydrocarbons in four geothermal areas in western North America is the thermal decomposition of sedimentary or groundwater organic matter.

Des Marais, D. J.↗

Quantum chemical calculations for polymers and organic compounds

The relativistic effects of the orbiting electrons on a model compound were calculated. The computational method used was based on 'Modified Neglect of Differential Overlap' (MNDO). The compound tetracyanoplatinate was used since empirical measurement and calculations along "classical" lines had yielded many known properties. The purpose was to show that for large molecules relativity effects could not be ignored and that these effects could be calculated and yield data in closer agreement to empirical measurements. Both the energy band structure and molecular orbitals are depicted.

Lopez, J.↗

Interstellar abundances and depletions inferred from observations of neutral atoms

Data on neutral atomic species are analyzed for the purpose of inferring relative elemental abundances and depletions in diffuse cloud cores, where it is assumed that densities are enhanced in comparison with mean densities over integrated lines of sight. Column densities of neutral atoms are compared to yield relative column densities of singly ionized species, which are assumed dominant in cloud cores. This paper incorporates a survey of literature data on neutral atomic abundances with the result that no systematic enhancement in the depletions of calcium or iron in cloud cores is found, except for zeta Ophiuchi. This may imply that depletions are not influenced by density, but other data argue against this interpretation. It is concluded either that in general all elements are depleted together in dense regions so that their relative abundances remain constant, or that typical diffuse clouds do not have significant cores, but instead are reasonably homogeneous. The data show a probable correlation between cloud-core depletion and hydrogen-molecular fraction, supporting the assumption that overall depletions are a function of density.

Snow, T. P.↗

Boundary conditions for the paleoenvironment: Chemical and physical processes in the pre-solar nebula

The first interstellar hydrocarbon ring, cyclopropenylidene (C3H2) is being studied. Both a survey of galactic sources in several C3H2 transitions and a more detailed study of a subset of these sources are under way. In the latter category is a study of the nearby cold dark cloud TMC-1, which is a potential formation site for solar type stars. A spectra is shown of seven rotational transitions which have been observed at the Five College Radio Astronomy Observatory. Three of these were detected for the first time in any astronomical source: the 3 sub 30 to 2 sub 21 transition at 216 GHz, the 2 sub 21 to 1 sub 10 transition at 122 GHz, and the 1 sub 11 to 0 sub 00 transition at 52 GHz. From the data it is apparent that C3H2 is quite spacially extended in typical interstellar molecular clouds, and that at least in TMC-1 it is one of the most abundant organic molecules.

Irvine, W. M.↗

Giant H II regions in M81

H-alpha and VLA radio continuum observations at wavelengths of 6 and 20 cm are used to study the distribution of extinction and the distribution of giant radio H II regions along the spiral arms in M81. The radial distribution of visual extinction Av in the plane of M81 shows no trend, with an upper limit 0.1 mag/kpc for the radial extinction gradient and a mean Av of 1.1 + or - 0.4 mag. Nearly all the giant radio H II regions lie along the spiral arms or the inner H I ring. The radial distribution of the set of giant radio H II regions exhibits a strong maximum at a galactocentric distance R roughly 300 arcsec. Unless molecular hydrogen in M81 is also concentrated near R roughly 300 arcsec, the data disagree with Visser's (1980) model for star formation associated with a density wave. Some suggestions are made about how to change the ballistic particle model of Leisawitz and Bash to agree with the observed radial distribution of giant radio H II regions.

Kaufman, Michele↗

Fourier transform spectroscopy of the nu3 band of the N3 radical

The nu3 transitions of N3 radicals produced by HN3-Cl reactions in a multipass cell (effective path length 100 m) are investigated experimentally using a Fourier-transform spectrometer with maximum resolution 0.004/cm. A total of 176 rotation-vibration lines are listed in a table and used, in combination with published data on 240 optical lines (Douglas and Jones, 1965), to determine the nu3 molecular constants. The lower-than-expected value of the nu3 fundamental frequency (1644.6784/cm) is attributed to the vibronic interaction discussed by Kawaguchi et al. (1981).

Brazier, C. R.↗

WF/PC internal molecular contamination during system thermal-vacuum test

During the recent system thermal vacuum test of the Wide-Field/Planetary Camera (WF/PC), instrumentation was added to the WF/PC to characterize the internal molecular contamination and verify the instrument throughput down to 1470 angstroms. Analysis of data elements revealed two contaminants affecting the far-ultraviolet (FUV) performance of the WF/PC. The one contaminant (heavy volatile) is correlated with the electronic and housing temperature, and the contamination is significantly reduced when the electronics are operated below plus 8 degrees to plus 10 degrees C. The other contaminant (light volatile) is controlled by the heat pipe temperature, and the contamination is significantly reduced when the Thermal Electric Cooler (TEC) hot-junction temperature is below minus 40 degrees to minus 50 degrees C. The utility of contamination sensors located behind instruments during system tests was demonstrated.

Taylor, Daniel M.↗

Theoretical line shapes for rotational spectra of HCl in Ar

An interaction potential for HCl-Ar recently derived from spectra of van der Waals complexes (Hutson,1988) has been used to obtain converged close-coupling scattering S matrices from which pressure broadening (linewidth, line shift, and line coupling) cross sections have been computed within the Fano-Ben-Reuven formalism. Linewidths agree well with experimental data with the exception of the 0-1 line at low temperatures (an error of about 15 percent at 125 K). Line shifts, especially the largest, for the 0-1 line, are also in reasonable accord with experimental data. Line coupling is predicted to be quite small. The coupled-states molecular scattering approximation is found to be accurate except at very low collision energies. The infinite-order sudden approximations, on the other hand, is not reliable for this system. Inelastic scattering out of the spectroscopic levels accounts for only a fraction of the linewidth at thermal energies, especially in the lower rotational levels.

Green, Sheldon↗