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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 217 records · Page 12

Establishing the accuracy of position–specific carbon isotope analysis of propane by GC–pyrolysis–GC–IRMS

Rationale: Position-specific (PS) δ 13 C values of propane have proven their ability to provide valuable information on the evolution history of natural gases. Two major approaches to measure PS δ 13 C values of propane are isotopic 13 C nuclear magnetic resonance (NMR) and gas chromatography-pyrolysis-gas chromatography-isotope ratio mass spectrometry (GC-Py-GC-IRMS). Measurement accuracy of the isotopic 13 C NMR has been verified, but the requirements of large sample size and long experimental time limit its applications. GC-Py-GC-IRMS is a more versatile method with a small sample size, but its accuracy has not been demonstrated. Methods: We measured the PS δ 13 C values of propane from nine natural gases using both 13 C NMR and GC-Py-GC-IRMS, then evaluated the accuracy of the GC-Py-GC-IRMS method. Results: The results show that large carbon isotope fractionations occurred for both terminal and central carbons within propane during pyrolysis. The isotope fractionations during the pyrolysis are reproducible at optimum conditions, but vary between the two GC-Py-GC-IRMS systems tested, affected by experimental conditions (e.g., pyrolysis temperature, flow rate, and reactor conditions). Conclusions: It is necessary to evaluate and calibrate each GC-Py-GC-IRMS system using propane gases with accurately determined PS δ 13 C values. Finally, this study also highlights a need for PS isotope standards for propane and other molecules (e.g., butane and acetic acid).

03 NATURAL GAS↗

Array-Based Machine Learning for Functional Group Detection in Electron Ionization Mass Spectrometry

Mass spectrometry is a ubiquitous technique capable of complex chemical analysis. The fragmentation patterns that appear in mass spectrometry are an excellent target for artificial intelligence methods to automate and expedite the analysis of data to identify targets such as functional groups. To develop this approach, we trained models on electron ionization (a reproducible hard fragmentation technique) mass spectra so that not only the final model accuracies but also the reasoning behind model assignments could be evaluated. The convolutional neural network (CNN) models were trained on 2D images of the spectra using transfer learning of Inception V3, and the logistic regression models were trained using array-based data and Scikit Learn implementation in Python. Our training dataset consisted of 21,166 mass spectra from the United States’ National Institute of Standards and Technology (NIST) Webbook. The data was used to train models to identify functional groups, both specific (e.g., amines, esters) and generalized classifications (aromatics, oxygen-containing functional groups, and nitrogen-containing functional groups). We found that the highest final accuracies on identifying new data were observed using logistic regression rather than transfer learning on CNN models. It was also determined that the mass range most beneficial for functional group analysis is 0–100 m/z. We also found success in correctly identifying functional groups of example molecules selected from both the NIST database and experimental data. Beyond functional group analysis, we also have developed a methodology to identify impactful fragments for the accurate detection of the models’ targets. The results demonstrate a potential pathway for analyzing and screening substantial amounts of mass spectral data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

3D Source Reconstruction Using Coded Aperture Gamma-Ray Imaging

Recent measurements with coded-aperture imagers demonstrate material mass determination in a holdup setting to an accuracy within a few percent. This capability is of particular interest to the Surplus Plutonium Disposition (SPD) project, which aims to dilute and dispose of surplus plutonium oxide. Gamma-ray imagers can be used to determine holdup without interrupting normal operations. In this work, we examine techniques for 3D source localization and mass determination using gamma-ray imagers. Coded-aperture imagers provide excellent source localization within the 2D image plane; however, multiple imagers operating in tandem are necessary to identify source location in 3D space. A Maximum Likelihood Expectation-Maximization (MLEM) method for fitting detector mappings is a powerful tool for accomplishing this task. MLEM allows 3D source localization to be simultaneously constrained using multiple gamma-ray imagers by constructing the basis for the MLEM fit using detector mappings from different detector locations stitched together. Each of these basis points represents a singular response from a source in 3D space and is generated using Monte Carlo simulations of sources placed individually at different locations throughout the imager’s field of view. Additionally, implementing knowledge of the physical equipment in the simulations of the glovebox used for the SPD project incorporates attenuation effects that are needed to calculate material holdup.

Laminack, Alex↗

Orion Flight Performance Design Trades

A significant portion of the Orion pre-PDR design effort has focused on balancing mass with performance. High level performance metrics include abort success rates, lunar surface coverage, landing accuracy and touchdown loads. These metrics may be converted to parameters that affect mass, such as ballast for stabilizing the abort vehicle, propellant to achieve increased lunar coverage or extended missions, or ballast to increase the lift-to-drag ratio to improve entry and landing performance. The Orion Flight Dynamics team was tasked to perform analyses to evaluate many of these trades. These analyses not only provide insight into the physics of each particular trade but, in aggregate, they illustrate the processes used by Orion to balance performance and mass margins, and thereby make design decisions. Lessons learned can be gleaned from a review of these studies which will be useful to other spacecraft system designers. These lessons fall into several categories, including: appropriate application of Monte Carlo analysis in design trades, managing margin in a highly mass-constrained environment, and the use of requirements to balance margin between subsystems and components. This paper provides a review of some of the trades and analyses conducted by the Flight Dynamics team, as well as systems engineering lessons learned.

Jackson, Mark C.↗

PERCEPTIVE: an R shiny $\underline{p}$ipelin$\underline{e}$ for the p$\underline{r}$edi$\underline{c}$tion of $\underline{ep}$igenetic modula$\underline{t}$ors $\underline{i}$n no$\underline{v}$el sp$\underline{e}$cies

Epigenetic processes are central to regulating gene expression, genome stability, and metabolic function across the tree of life; yet, their roles remain underexplored in microalgae, especially as new species continue to be identified and characterized. This is likely due to the cumbersome nature and species-dependent attributes of epigenetic wet-lab methodologies, which preclude the rapid identification of epigenetic modifications and modulators. However, there is high conservation of epigenetic processes from budding yeast to humans; in many cases, one may infer how behavior and function are epigenetically regulated in novel species by identifying epigenetic modulators, or the proteins responsible for conferring epigenetic modifications. Here, to this end, we have developed a graphical software package, titled PERCEPTIVE (pipeline for the prediction of epigenetic modulators in novel species). This platform solely uses the genomic sequence of an algal species, and preexisting information from other model organisms, to predict the epigenetic modulators and associated modifications in algae. Predictions are presented to the user in a graphical interface, which provides literature-based interpretation of results, enabling users to quickly understand potential epigenetic processes in their algal species of interest and plan follow-up experiments. To test PERCEPTIVE, we predicted epigenetic modulators in several feedstock candidate algae species. To validate these predictions, wet-lab studies were performed, including mass spectrometry; these results underscore the high accuracy of PERCEPTIVE predictions. Overall, PERCEPTIVE represents a powerful in silico tool for the research and manipulation of algal species, which does not require a priori knowledge of epigenetics and is accessible to a broad set of investigators.

59 BASIC BIOLOGICAL SCIENCES↗

3D isotope density measurements by energy-resolved neutron imaging

Abstract Tools for three-dimensional elemental characterization are available on length scales ranging from individual atoms, using electrons as a probe, to micrometers with X-rays. However, for larger volumes up to millimeters or centimeters, quantitative measurements of elemental or isotope densities were hitherto only possible on the surface. Here, a novel quantitative elemental characterization method based on energy-resolved neutron imaging, utilizing the known neutron absorption cross sections with their ‘finger-print’ absorption resonance signatures, is demonstrated. Enabled by a pixilated time-of-flight neutron transmission detector installed at an intense short-pulsed spallation neutron source, for this demonstration 3.25 million state-of-the-art nuclear physics neutron transmission analyses were conducted to derive isotopic densities for five isotopes in 3D in a volume of 0.25 cm 3 . The tomographic reconstruction of the isotope densities provides elemental maps similar to X-ray microprobe maps for any cross section in the probed volume. The bulk isotopic density of a U-20Pu-10Zr-3Np-2Am nuclear transmutation fuel sample was measured, agrees well with mass-spectrometry and is evidence of the accuracy of the method.

36 MATERIALS SCIENCE↗

Erratum: Monoenergetic photon-induced fission cross-section ratio measurements for U 235 , U 238 , and Pu 239 from 9.0 to 17.0 MeV

In this erratum we report a correction to the previously published photofission cross-section ratio data. The actinide fission-chamber foils utilized in this work were extensively characterized during a new campaign using α- and γ-ray spectroscopy, and 2π alpha counting. These three techniques agreed, resulting in an improved accuracy of the fission-chamber foil masses used in the original experiment. The foil masses measured by α spectroscopy are detailed in Table I. All foils were counted on the same α spectrometer, using an identical geometry, which reduces the systematic uncertainty in the calculated mass ratios since the α spectrometer efficiency cancels out in the ratio. This results in a relative uncertainty on the mass ratio of 1.0% for 235 U/ 238 U, 0.62% for 239 Pu/ 235 U, and 1.1% for 239 Pu/ 238 U. The published cross-section ratio data are re-calculated to reflect the updated target masses and uncertainties. The new mass values cause a 2.40% decrease for the σ( 235 U(γ, f)/ 238 U(γ, f)) ratio, a 5.10% decrease for the σ( 235 U(γ, f)/ 239 Pu(γ, f)) ratio, and a 2.77% decrease for the σ( 238 U(γ, f)/ 239 Pu(γ, f)) ratio. The updated cross-section ratios are presented in Tables II, III, and IV, which are corrected versions of Tables III, IV, and V in Ref. [1]

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A Machine Learns to Predict the Stability of Highly Diverse Multi-planetary Systems

Machine learning has proven to be an invaluable tool for characterizing the stability of planets in simplified planetary systems. In this work, we investigate the performance of a machine learning classifier on tightlypacked systems containing a rich diversity of planets, from Earths to Jupiters. Using information derived from short numerical simulations about a planet’s early orbital evolution and its relationship with the most massive planets in the system, we train a random forest classifier to predict instability with a > 88 percent accuracy. Our classifier relies on relative planet masses and the standard deviation of eccentricity for much of its predictive power. Most misclassified planets lie along a multi-dimensional boundary between stable and unstable planets, indicating that their early orbital evolution is ambiguous. The major reason for misclassification in this work is timescale: because our classifier uses information from only the first 137 years of simulation data, it is blind to late time interactions that cause or prevent instability. Machine learning methods like those utilized in this work provide powerful tools to complement numerical simulations across a wide range of planetary architectures.

79 ASTRONOMY AND ASTROPHYSICS↗

Geodesy by radio interferometry - Determination of a 1.24-km base line vector with approximately 5-mm repeatability

The paper describes a new method for determining the base line vector from X band radio interferometric observations of extragalactic sources. The procedure utilizes the precision inherent in fringe phase measurements. Eleven separate experiments were conducted to measure the 1.24-km base line vector between the two antennas of the Haystack Observatory in Westford, Mass. The repeatability, scatter, and level of accuracy are discussed.

Rogers, A. E. E.↗

New determinations of far-side lunar radii from Apollo photography

Determinations of far side lunar radii based on the reduction of photogrammetric measurements derived from Apollo 16 photographs obtained during the trans-earth phase of the spacecraft trajectory are presented. Reduction is accomplished by determining the Apollo 16 metric camera orientation relative to control points on the lunar surface whose coordinates are known exactly, than charting the surface on the basis of data coverage. The positions of 66 surface features in the area between longitudes 90 and 130 deg E and 10 and 60 deg N relative to the center of mass of the moon, with a relative accuracy of 500 km, are presented. A topographical map which can resolve basin-sized features has been derived from radius determinations. It is found that the craters Fabry, Riemann and Szilard comprise a topographically depressed region about 500 km in diameter with a floor 2.4 to 3.4 km below the 1730.0 km reference sphere and 4.8 to 5.8 km below the northern rim of the unfilled basin.

Mohan, S. N.↗

Natural frequency of rotating beams using non-rotating modes

A Lagrangian approach is formulated for predicting the rotating natural frequencies of a beam from the nonrotating modes and frequencies. Using the first two nonrotating mode shapes in one case and the first four such modes in the other case the frequencies of the rotating modes are calculated for a short tapered beam and a typical helicopter blade, respectively. In each case the beam is represented by lumped parameters. The number of mass points representing the beam and the accuracy of the calculated slopes of the nonrotating mode shapes at those points are both shown to affect the accuracy of the resulting frequencies, but the number of stations is shown to be more important.

Loewy, R. G.↗

Far-infrared and submillimeter observations of the multiple cores in S255, W3, and OMC-1 - Evidence for fragmentation?

The two cores of the S255 cloud were mapped at 60, 100, 185, and 400 microns and 40-400 microns maps were made of the cores and S255, OMC-1 and W3. Absolute flux densities were determined with an accuracy of 30 percent. The luminosities and masses of the S255 cores were equivalent to those of the other objects, including the concentration of a compact H II region around young objects. The densified regions are regarded as typical of areas where massive objects are forming. The observed 1.4-4 km/sec velocity differences between two cores in any one cloud indicates that the angular momentum of the original clouds, which drove the collapse of the cores, is transferred to the massive young stars.

Jaffe, D. T.↗

Numerical simulation of axisymmetric turbulent flow in combustors and diffusors

A method for predicting turbulent flow in combustors and diffusers is developed. The Navier-Stokes equations, incorporating a turbulence kappa-epsilon model equation, were solved in a nonorthogonal curvilinear coordinate system. The solution applied the finite volume method to discretize the differential equations and utilized the SIMPLE algorithm iteratively to solve the differenced equations. A zonal grid method, wherein the flow field was divided into several subsections, was developed. This approach permitted different computational schemes to be used in the various zones. In addition, grid generation was made a more simple task. However, treatment of the zonal boundaries required special handling. Boundary overlap and interpolating techniques were used and an adjustment of the flow variables was required to assure conservation of mass, momentum and energy fluxes. The numerical accuracy was assessed using different finite differencing methods, i.e., hybrid, quadratic upwind and skew upwind, to represent the convection terms. Flows in different geometries of combustors and diffusers were simulated and results compared with experimental data and good agreement was obtained.

Yung, Chain Nan↗

Assessing damping uncertainty in space structures with fuzzy sets

NASA has been interested in the development of methods for evaluating the predictive accuracy of structural dynamic models. This interest stems from the use of mathematical models in evaluating the structural integrity of all spacecraft prior to flight. Space structures are often too large and too weak to be tested fully assembled in a ground test lab. The predictive accuracy of a model depends on the nature and extent of its experimental verification. The further the test conditions depart from in-service conditions, the less accurate the model will be. Structural damping is known to be one source of uncertainty in models. The uncertainty in damping is explored in order to evaluate the accuracy of dynamic models. A simple mass-spring-dashpot system is used to illustrate a comparison among three methods for propagating uncertainty in structural dynamics models: the First Order Method, the Numerical Simulation Method, and the Fuzzy Set Method. The Fuzzy Set Method is shown to bound the range of possible responses and thus to provide a valuable limiting check on the First Order Method near resonant conditions. Fuzzy Methods are a relative inexpensive alternative to numerical simulation.

Ross, Timothy J.↗

Fast projection algorithm for unstructured meshes

Two projection operators are presented which employ a very efficient point-location algorithm. For a wide variety of practical problems, the projection cost was reduced by a substantial factor when compared with simpler procedures. Problems involving high levels of local refinement do not impede the point-location algorithm, and the extension of these concept to three dimensions has been implemented with no additional difficulty. Nodal interpolation is noted to be an excellent projection operator when cost is a criterion, while consistent-mass L2-projection furnishes the highest accuracy.

Jansen, Kenneth↗

The Effect of Companions on the SIM Reference Frame

The Space Interferometry Mission (SIM) is a 10-m Michelson space-based optical interferometer designed for precision astrometry (4 microarcseconds, 3 microarcseconds/year) with better accuracy than before over a narrow field of view. One of the primary objectives of the SIM instrument is to determine accurately the directions to a grid of stars, together with their proper motions and parallax, improving a priori knowledge by nearly three orders of magnitude over Hipparcos and one order of magnitude over FAME's planned accuracy (Johnston, 2000). The instrument does not measure directly the angular separation between stars, but rather it measures the projection of each star's direction vector onto the interferometer baseline vector by measuring the pathlength delay of starlight as it passes through the two arms of the interferometer. The accuracy and stability of SIM's celestial reference frame is subject to degradation over the 5-year mission from the reflex motion induced by massive companions of the objects used to construct the celestial reference frame. The authors present the results of simulations that show the sensitivity of reference frame accuracy to companions as a function of mass and period. They assume that pre-launch ground surveys will eliminate all objects with RMS radial velocity greater than 10 m/s. They further assume that the standard astrometric parameters of position, parallax, and proper motion plus acceleration terms in right ascension and declination will be allowed to absorb reflex motion.

ASTROMETRY↗

Charon/Pluto Mass Ratio Obtained with HST CCD Observations in 1991 and 1993

We have analyzed Hubble Space Telescope wide field camera observations of Pluto, Charon, and a reference star, acquired in 1991 and 1993, to observe Pluto's barycentric motion and determine the Charon/Pluto mass ratio, q = 0.1237 +/-0.0081, with 6.5% accuracy. Solution values for Charon orbital elements include the semimajor axis, a = 19662 +/-81 km; inclination, i = 96.57 +/-0.24 deg; eccentricity, e = 0.0072 +/-0.0067; longitude of periapsis, w = 2 +/-35 deg; and mean longitude, l = 123.58 +/-0.43 deg. These elements are referred to the J2000 Earth equator and equinox at epoch JED 2446600.5.

Charon Pluto↗