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At least 505 records · Page 28

Deriving New Mixing Ratios for Venus Atmospheric Gases Using Data From the Pioneer Venus Large Probe Neutral Mass Spectrometer

We present the first published method to convert data obtained by the Pioneer Venus Large Probe Neutral Mass Spectrometer (LNMS) into units of mixing ratio (ppm) and volume percent (v%) against CO 2 and N 2 , the dominant Venus atmospheric gases, including conversion to density (kg m −3 ). These unit conversions are key to unlocking the untapped potential of the data, which represents a significant challenge given the scant calibration data in the literature. Herein, we show that our data treatments and conversions yield mixing ratios and volume percent values for H 2 O, N 2 , and SO 2 that are within error to those reported for the gas chromatograph (LGC) on the Pioneer Venus Large Probe (PVLP). For the noble gases, we developed strategies to correct for instrument biases by treating the data as a relative scale and using PVLP and Venera-based measurements as calibration points. Together, these methods, conversions, calibrations, and comparisons afford novel unit conversions for the LNMS data and yield unified measures for Venus’ atmosphere from the LNMS and LGC on the PVLP. - Conversion into mixing ratio (ppm), volume percent (v%), and density (kg m −3 ). - Mixing ratios are expressed against CO 2 and N 2 . - LNMS and LGC measurements on the PVLP are consistent.

Venus↗

Identification and yield of carbonic acid and formaldehyde in irradiated ices

Carbonic acid, (OH)2CO, was tentatively identified in the IR spectrum of a proton irradiated CO2 + H2O ice mixture. In this report, we present additional evidence for a more definitive identification of (OH)2CO with (1) the infrared spectrum of a residue obtained by proton irradiation of CO2 + D2O ice mixture, and (2) the IR spectra of solid phases of formaldehyde (H2CO), acetone (CH3)2CO, and dimethyl carbonate (OCH3)2CO, which are structurally similar to (OH)2CO. IR characteristics (peak frequencies and complex refractive indices of the compounds in point 2) are also reported. In particular, the integrated absorption coefficients for the C-O band for the compounds in point 2 do not vary by more than 20 percent. Based on these values, we estimate the yields of H2CO and (OH)2CO by proton irradiation or ice mixtures. Both H2CO and (OH)2CO are possible irradiation products of cometary and planetary ices.

Dellorusso, Neil↗

Impact of fission yield covariance matrices on decay heat uncertainty quantification with the DARWIN2 package

Although fission yields are strongly correlated, correlations between them are usually not taken into account when performing decay heat uncertainty calculations with the CEA DARWIN2 package due to the lack of reference covariance matrices associated to the JEFF-3.1.1 evaluation. However, covariance matrices for {sup 235}U and {sup 239}Pu thermal fission yields have been produced recently by the subgroup 37 of OECD/NEA Working Party on International Nuclear Data Evaluation Cooperation (WPEC). The study presented in this paper evaluates the effect of those covariances on the decay heat uncertainty calculation, both on fission burst experiments and on integral decay heat measurements that are part of the DARWIN2 experimental validation database. Although some differences are observed, partly due to the variety of models used to produce the matrices, the propagation of fission yield covariances always leads to a reduction of the decay heat uncertainty for cooling time above 10 seconds, indicating that not taking them into account is a conservative hypothesis from a safety point of view. Nevertheless, the strong impact of those covariances on the decay heat uncertainty also highlights the need of documented and consistent fission yield uncertainties and correlation data. On top of that, all the covariance matrices used for this study represent the correlation between the physical model parameters, but none of them includes the experimental correlations. An evaluation of the experimental correlations would also be of strong interest for decay heat uncertainty calculations. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Use of photostress to analyze behavior of an aft skirt test specimen

Strains at twenty-one selected points in the critical lower weld region of a aft skirt of a solid rocket booster of the shuttle were measured using photoelastic coatings and stress separator gages. Data were taken at loads of 5, 14, 20, 28, 42, 56, and 70 percent of the design limit load. Results indicate that general yielding occurred in the weld metal and for a short distance outside the fusion boundaries on either side of the weld metal. The fusion boundaries did not yield at the 70 percent load. Slight non-linearity in the load strain curves were observed at several points above the 20 percent load level. Maximum measured strains occurred at points in the forged metal of the holddown post along a line 0.50 inches from the centerline of the weld. Maximum shearing strains within the area covered by the photoelastic coating occurred at points approximately 0.33 inches to the right of the weld centerline near points 6 and 7 and lying along a yellow vertical line extending from just below point 6 to point 11. Photoelastic coatings were shown to be an excellent method to provide the whole field strain distribution in the region of the critical weld and to enhance the overall understanding of the behavior of the welded joint.

Gambrell, S. C., Jr.↗

The Remarkable I 2 O 3 Molecule: A New View from Theory

Atmospheric iodine chemistry has garnered increasing attention as a result of increased iodine emissions. A key subset of this chemistry involves iodine oxides (I 2 O 2–5 ), which serve as precursors to particle formation. Among these, I 2 O 3 is the simplest iodine oxide involved in particle formation, but it has remained undetected in the atmosphere. Previous theoretical studies have characterized this peculiar molecule, primarily using energies to refine geometries obtained at low levels of theory. Due to the reemerging interest in I 2 O 3 , this study presents geometries optimized at the CCSD(T)/aug-cc-pwCVTZ-PP level of theory─marking the first instance, to the best of our knowledge, where this system has been studied exclusively with CCSD(T). Harmonic vibrational frequencies were computed at the same level of theory. Final energetics were obtained using the very high level CCSDT(Q) method with basis sets up to quintuple-zeta cardinality (aug-cc-pwCV5Z-PP) and extrapolated to the CBS limit to yield CCSDT(Q)/CBS//CCSD(T)/aug-cc-pwCVTZ-PP energies. These energies include harmonic zero-point vibrational energy corrections and scalar relativistic energy corrections. Additionally, this study discovers new isomers along the I 2 O 3 potential energy surface, a novel contribution to the field. The performance of different computational methods and DFT functionals commonly used in atmospheric chemistry is also assessed relative to high-level theoretical methods.

basis sets↗

Optoelectronic property comparison for isostructural Cu 2 BaGeSe 4 and Cu 2 BaSnS 4 solar absorbers

To target mitigation of anti-site defect formation in Cu 2 ZnSnS 4–x Se x , a new class of chalcogenides, for which Ba or Sr (group 2) replace Zn (group 12), has recently been introduced for prospective solar absorber application. Cu 2 BaGeSe 4 (CBGSe) and Cu 2 BaSnS 4 (CBTS) are two such compounds, which share a common trigonal crystal structure (P3 1 space group) and similar quasi-direct band gap (~2 eV). While CBTS-based films have already been studied, there are no reports yet on films and solar cells based on related CBGSe. To identify key differences and similarities in the electronic properties between these two materials, electronic characteristics (e.g., carrier concentration, mobility, electron affinity, defect levels, recombination, and charge carrier kinetics) of vacuum-deposited CBGSe and CBTS films are compared using a variety of characterization methods. Hall effect measurements reveal that CBGSe films have relatively higher hole carrier concentration and lower mobility (3 × 10 15 cm –3 , 0.6 cm 2 V –1 s –1 ) compared to CBTS (5 × 10 12 cm –3 , 3.5 cm 2 V –1 s –1 ). Photoelectron spectroscopy yields low electron affinity values for both CBGSe (3.7 eV) and CBTS (3.3 eV), pointing to the necessity of pursuing low electron affinity buffer materials for both types of absorbers. At low temperatures, CBGSe films show free-exciton photoluminescence, as well as pronounced deep-level emission at ~1.4 eV, while CBTS films exhibit a strong bound-exciton signal with noticeably less intense deep-level emission than for CBGSe. Charge carrier kinetics, transport, and recombination properties of both types of films are also analyzed using optical-pump terahertz-probe spectroscopy and time-resolved microwave conductivity. The first CBGSe prototype solar cells (using chemical bath deposited CdS as a buffer layer) show a maximum of 1.5% efficiency with ~0.62 V open-circuit voltage. Furthermore, the measured properties point to possible limiting factors for CBGSe and related films for PV and optoelectronics and provide insights on possible approaches for improvement within this multinary chalcogenide family.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Accelerating and stabilizing the convergence of vibrational self-consistent field calculations via the direct inversion of the iterative subspace (vDIIS) algorithm

The vibrational self-consistent field (VSCF) method yields anharmonic states and spectra for molecular vibrations, and it serves as the starting point for more sophisticated correlated-vibration methods. Convergence of the iterative, non-linear optimization in VSCF calculations can be erratic or altogether unsuccessful, particularly for chemical systems involving low-frequency motions. In this work, a vibrational formulation of the Direct Inversion of the Iterative Subspace method of Pulay is presented and investigated. This formulation accounts for distinct attributes of the vibrational and electronic cases, including the expansion of each single-mode vibrational wavefunction in its own basis set. The resulting Direct Inversion of the Iterative Subspace method is shown to substantially accelerate VSCF convergence in all convergent cases as well as rectify many cases where Roothaan-based methods fail. Performance across systems ranging from small, rigid molecules to weakly bound molecular clusters is investigated in this analysis.

Chemistry↗

Playing Nonlocal Games across a Topological Phase Transition on a Quantum Computer

Many-body quantum games provide a natural perspective on phases of matter in quantum hardware, crisply relating the quantum correlations inherent in phases of matter to the securing of quantum advantage at a device-oriented task. In this Letter, we introduce a family of multiplayer quantum games for which topologically ordered phases of matter are a resource yielding quantum advantage. Unlike previous examples, quantum advantage persists away from the exactly solvable point and is robust to arbitrary local perturbations, irrespective of system size. We demonstrate this robustness experimentally on Quantinuum’s H1-1 quantum computer by playing the game with a continuous family of randomly deformed toric code states that can be created with constant-depth circuits leveraging midcircuit measurements and unitary feedback. We are thus able to tune through a topological phase transition—witnessed by the loss of robust quantum advantage—on currently available quantum hardware. This behavior is contrasted with an analogous family of deformed Greenberger-Horne-Zeilinger states, for which arbitrarily weak local perturbations destroy quantum advantage in the thermodynamic limit. Lastly, we discuss a topological interpretation of the game, which leads to a natural generalization involving an arbitrary number of players.

97 MATHEMATICS AND COMPUTING↗

(α,n) nuclear data scoping study

Neutrons from the (α,n) reaction are an important component of nondestructive assay techniques to determine enriched uranium and other actinide inventories in a variety of critical points in the nuclear fuel cycle. However, uncertainties in the cross section, total neutron yield and neutron spectrum, and gamma emissions from these reactions, such as 19 F(α,n) and 17,18 O(α,n), introduce large uncertainties in the determination of mass of actinides of interest and can represent several significant quantities in unaccounted material in certain facility processes. Calculations and measurements depend on accurate nuclear data; however, much of the relevant data in use today was measured in the 1980s and earlier and has not been updated. Thus, the current uncertainties in the cross sections and neutron emission spectra are unacceptably large. This report documents the results of a scoping study of (α,n) reaction data that considered the current state of the data and recommends areas of improvement. It also addresses the codes use to calculate the (α,n) neutron and gamma source terms and recommends code improvements to support required analysis.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Searching for an Enhanced Signal of the Onset of Color Transparency in Baryons with D(e,e′p)n Scattering

Observation of the onset of color transparency in baryons would provide a new means of studying the nuclear strong force and would be the first clear evidence of baryons transforming into a color-neutral point-like size in the nucleus as predicted by quantum chromodynamics. Recent C(e,e′p) results from electron-scattering did not observe the onset of color transparency (CT) in protons up to spacelike four-momentum transfers squared, Q2=14.2 GeV2. The traditional methods of searching for CT in (e,e′p) scattering use heavy targets favoring kinematics with already initially reduced final state interactions (FSIs) such that any CT effect that further reduces FSIs will be small. The reasoning behind this choice is the difficulty in accounting for all FSIs. D(e,e′p)n, on the other hand, has well-understood FSI contributions from double scattering with a known dependence on the kinematics and can show an increased sensitivity to hadrons in point-like configurations. Double scattering is the square of the re-scattering amplitude in which the knocked-out nucleon interacts with the spectator nucleon, a process that is suppressed in the presence of point-like configurations and is particularly well-studied for the deuteron. This suppression yields a quadratic sensitivity to CT effects and is strongly dependent on the choice of kinematics. Here, we describe a possible Jefferson National Accelerator Facility (JLab) electron-scattering experiment that utilizes these kinematics and explores the potential signal for the onset of CT with enhanced sensitivity as compared to recent experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Dimensionality Reduction of SDSS Spectra with Variational Autoencoders

High-resolution galaxy spectra contain much information about galactic physics, but the high dimensionality of these spectra makes it difficult to fully utilize the information they contain. We apply variational autoencoders (VAEs), a nonlinear dimensionality reduction technique, to a sample of spectra from the Sloan Digital Sky Survey (SDSS). In contrast to principal component analysis (PCA), a widely used technique, VAEs can capture nonlinear relationships between latent parameters and the data. We find that a VAE can reconstruct the SDSS spectra well with only six latent parameters, outperforming PCA with the same number of components. Different galaxy classes are naturally separated in this latent space, without class labels having been given to the VAE. The VAE latent space is interpretable because the VAE can be used to make synthetic spectra at any point in latent space. For example, making synthetic spectra along tracks in latent space yields sequences of realistic spectra that interpolate between two different types of galaxies. Using the latent space to find outliers may yield interesting spectra: in our small sample, we immediately find unusual data artifacts and stars misclassified as galaxies. In this exploratory work, we show that VAEs create compact, interpretable latent spaces that capture nonlinear features of the data. While a VAE takes substantial time to train (≈1 day for 48,000 spectra), once trained, VAEs can enable the fast exploration of large astronomical data sets.

79 ASTRONOMY AND ASTROPHYSICS↗

Dynamics of midlatitude light ion trough and plasmatails

Light ion trough measurements near midnight made by the RF ion mass spectrometer on OGO-4 operating in the high resolution mode in Feb. 1968 reveal the existence of irregular structure on the low latitude side of the midlatitude trough. Using two different relations between the equatorial convection electric field, assumed spatially invariant and directed from dawn to dusk, and Kp (one based on plasmapause measurements, the other on polar cap E field measurements) a model development was made of the outer plasmasphere. The model calculations produced multiple plasmatail extensions of the plasmasphere which compare favorably with the observed irregularities. Due to magnetic local time differences between the Northern and Southern Hemisphere along OGO's orbit, the time dependent irregularity structure observed is not symmetrical about the equator. The model development produces an outer plasmasphere boundary location which varies similarly to the observed minimum density point of the light ion trough. However the measurements are not extensive enough to yield conclusive proof that one of the electric field models is better than the other.

Chen, A. J.↗

Study of casing treatment stall margin improvement phenomena

The results of a program of experimental and analytical research in casing treatments over axial compressor rotor blade tips are presented. Circumferential groove, axial-skewed slot, and blade angle slot treatments were tested. These yielded, for reduction in stalling flow and loss in peak efficiency, 5.8% and 0 points, 15.3% and 2.0 points, and 15.0% and 1.2 points, respectively. These values are consistent with other experience. The favorable stalling flow situations correlated well with observations of higher-then-normal surface pressures on the rotor blade pressure surfaces in the tip region, and with increased maximum diffusions on the suction surfaces. Annular wall pressure gradients, especially in the 50-75% chord region, are also increased and blade surface pressure loadings are shifted toward the trailing edge for treated configurations. Rotor blade wakes may be somewhat thinner in the presence of good treatments, particularly under operating conditions close to the baseline stall.

Prince, D. C., Jr.↗

Dynamics of Mid-latitude light ion trough and plasma tails

Light ion trough measurements near midnight made by the Bennett RF ion mass spectrometer on Ogo 4 operating in the high-resolution mode reveal the existence of irregular structure on the low-latitude side of the mid-latitude trough. By using two different relations between the equatorial convection electric field, assumed to be spatially invariant and directed from dawn to dusk, and Kp, a model development was made of the outer plasmasphere. The model calculations produced multiple plasma tails that compare favorably with the observed thermal proton irregularities. The model development produces an outer plasmasphere boundary location that varies similarly to the observed minimum density point of the light ion trough. However, the measurements are not extensive enough to yield conclusive proof that one of the electric field models is better than the other.

Chen, A. J.↗

Two-Point Correlations of Sound Pressure in the Far Field of a Jet: Experiment

Correlations of sound pressure between two microphones yield substantially more information than single microphone data; hence, they provide useful information about the nature and behavior of jet noise sources as a basis for theory development. The mapping of the space-time correlations of the pressure over a distant sphere enclosing a subsonic jet revealed a number of previously unaccounted for features essential for the interpretation of the radiation field and for the modeling of the flow field.

Maestrello, L.↗

Generation of orthogonal grids by boundary grid relaxation

Two elliptic grid generation schemes that yield orthogonal grids are presented (FGBR and UBGR). With the UBGR scheme, the grid points on the flow boundaries are automatically determined by the algorithm, while the FBGR scheme at most one half of the boundary grid points may be prespecified and the remainder of boundary grid points are determined automatically. Numerical examples show their capability of easy stretching, clustering and shock fitting while maintaining orthogonality of grid. The present method can be implemented into existing elliptic grid generation programs with relatively minor modifications.

Nakamura, S.↗

Experimental philosophy leading to a small scale digital data base of the conterminous United States for designing experiments with remotely sensed data

Research using satellite remotely sensed data, even within any single scientific discipline, often lacked a unifying principle or strategy with which to plan or integrate studies conducted over an area so large that exhaustive examination is infeasible, e.g., the U.S.A. However, such a series of studies would seem to be at the heart of what makes satellite remote sensing unique, that is the ability to select for study from among remotely sensed data sets distributed widely over the U.S., over time, where the resources do not exist to examine all of them. Using this philosophical underpinning and the concept of a unifying principle, an operational procedure for developing a sampling strategy and formal testable hypotheses was constructed. The procedure is applicable across disciplines, when the investigator restates the research question in symbolic form, i.e., quantifies it. The procedure is set within the statistical framework of general linear models. The dependent variable is any arbitrary function of remotely sensed data and the independent variables are values or levels of factors which represent regional climatic conditions and/or properties of the Earth's surface. These factors are operationally defined as maps from the U.S. National Atlas (U.S.G.S., 1970). Eighty-five maps from the National Atlas, representing climatic and surface attributes, were automated by point counting at an effective resolution of one observation every 17.6 km (11 miles) yielding 22,505 observations per map. The maps were registered to one another in a two step procedure producing a coarse, then fine scale registration. After registration, the maps were iteratively checked for errors using manual and automated procedures. The error free maps were annotated with identification and legend information and then stored as card images, one map to a file. A sampling design will be accomplished through a regionalization analysis of the National Atlas data base (presently being conducted). From this analysis a map of homogeneous regions of the U.S.A. will be created and samples (LANDSAT scenes) assigned by region.

Labovitz, M. L.↗

Sound speed measurements in liquid oxygen-liquid nitrogen mixtures

The sound speed in liquid oxygen (LOX), liquid nitrogen (LN2), and five LOX-LN2 mixtures was measured by an ultrasonic pulse-echo technique at temperatures in the vicinity of -195.8C, the boiling point of N2 at a pressure of I atm. Under these conditions, the measurements yield the following relationship between sound speed in meters per second and LN2 content M in mole percent: c = 1009.05-1.8275M+0.0026507 M squared. The second speeds of 1009.05 m/sec plus or minus 0.25 percent for pure LOX and 852.8 m/sec plus or minus 0.32 percent for pure LN2 are compared with those reported by past investigators. Measurement of sound speed should prove an effective means for monitoring the contamination of LOX by Ln2.

Zuckerwar, A. J.↗