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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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Effective techniques for the identification and accommodation of disturbances

The successful control of dynamic systems such as space stations, or launch vehicles, requires a controller design methodology that acknowledges and addresses the disruptive effects caused by external and internal disturbances that inevitably act on such systems. These disturbances, technically defined as uncontrollable inputs, typically vary with time in an uncertain manner and usually cannot be directly measured in real time. A relatively new non-statistical technique for modeling, and (on-line) identification, of those complex uncertain disturbances that are not as erratic and capricious as random noise is described. This technique applies to multi-input cases and to many of the practical disturbances associated with the control of space stations, or launch vehicles. Then, a collection of smart controller design techniques that allow controlled dynamic systems, with possible multi-input controls, to accommodate (cope with) such disturbances with extraordinary effectiveness are associated. These new smart controllers are designed by non-statistical techniques and typically turn out to be unconventional forms of dynamic linear controllers (compensators) with constant coefficients. The simplicity and reliability of linear, constant coefficient controllers is well-known in the aerospace field.

Johnson, C. D.↗

Gas–Phase Synthesis of 3–Vinylcyclopropene via the Crossed Beam Reaction of the Methylidyne Radical (CH; X 2 Π) with 1,3–Butadiene (CH 2 CHCHCH 2 ; X 1 Ag)

The crossed molecular beam reactions of the methylidyne radical (CH; X 2 Π) with 1,3-butadiene (CH 2 CHCHCH 2 ; X 1 Ag) along with their (partially) deuterated counterparts were performed at collision energies of 20.8 kJ mol -1 under single collision conditions. Combining our laboratory data with ab initio calculations, we reveal that the methylidyne radical may add barrierlessly to the terminal carbon atom and/or carbon-carbon double bond of 1,3-butadiene, leading to doublet C 5 H 7 intermediates with life times longer than the rotation periods. Furthermore, these collision complexes undergo non-statistical unimolecular decomposition through hydrogen atom emission yielding the cyclic cis- and trans-3-vinyl-cyclopropene products with reaction exoergicities of 119±42 kJ mol -1 . Since this reaction is barrierless, exoergic, and all transition states are located below the energy of the separated reactants, these cyclic C 5 H 6 products are predicted to be accessed even in low-temperature environments, such as in hydrocarbon-rich atmospheres of planets and cold molecular clouds such as TMC-1.

3-vinylcyclopropene↗

Bulk and position-specific isotope geochemistry of natural gases from the Late Cretaceous Eagle Ford Shale, south Texas

Here, a dataset of bulk and position-specific isotope compositions of shale gases from the Late Cretaceous Eagle Ford Shale, south Texas is reported. The chemical and bulk isotopic compositions of the seven samples in this study and those available from the literature show that across the play, produced natural gas from the Eagle Ford Shale preserves a wide range of gas compositions (wetness, ~5 to >90%) and δ 13 C values of C 1 –C 3 . The depth profiles of the isotopic compositions suggest that the western region of the Eagle Ford Shale deposit had experienced as much as 700–800 m of uplift-erosion or gas migration. The timing of and lost-gas fractions by gas expulsion events very likely affected their gas compositions and bulk isotope compositions. Some deep (>3000–3500 m), matured (%Ro > 1.5) gases with heavy δ 13 C(C 1 –C 3 ) values indicate significant loss (>50%) of the early-stage gases. For the position-specific isotope deviations of propane, the ΔC 2-1 values of the five samples show small decrease with well depths, while the ΔH 2-1 values have a general increasing trend. Although some samples fall very close to the equilibrium model trajectories with reasonable calculated temperatures (138–148 °C), the position-specific isotope compositions of propane from the Eagle Ford Shale gases are likely results of thermal cracking of various organic molecules within the source rocks, which have different activation energy for cracking and non-statistical distributions of C/H isotope within them.

58 GEOSCIENCES↗

Neuroanatomical and cognitive correlates of visual hallucinations in Parkinson’s disease and dementia with Lewy bodies: Voxel-based morphometry and neuropsychological meta-analysis

Visual hallucinations (VH) are common in Parkinson's disease and dementia with Lewy bodies, two forms of Lewy body disease (LBD), but the neural substrates and mechanisms involved are still unclear. We conducted meta-analyses of voxel-based morphometry (VBM) and neuropsychological studies investigating the neuroanatomical and cognitive correlates of VH in LBD. For VBM (12 studies), we used Seed-based d Mapping with Permutation of Subject Images (SDM-PSI), including statistical parametric maps for 50% of the studies. For neuropsychology (35 studies), we used MetaNSUE to consider non-statistically significant unreported effects. VH were associated with smaller grey matter volume in occipital, frontal, occipitotemporal, and parietal areas (peak Hedges' g -0.34 to -0.49). In patients with Parkinson's disease without dementia, VH were associated with lower verbal immediate memory performance (Hedges' g -0.52). Both results survived correction for multiple comparisons. Here, abnormalities in these brain regions might reflect dysfunctions in brain networks sustaining visuoperceptive, attention, and executive abilities, with the latter also being at the basis of poor immediate memory performance.

60 APPLIED LIFE SCIENCES↗

Gas-Phase Formation of C 5 H 6 Isomers via the Crossed Molecular Beam Reaction of the Methylidyne Radical (CH; X 2 Π) with 1,2-Butadiene (CH 3 CHCCH 2 ; X 1 A')

The bimolecular gas-phase reaction of the methylidyne radical (CH; X 2 Π) with 1,2-butadiene (CH 2 CCHCH 3 ; X 1 A’) was investigated at a collision energy of 20.6 kJ mol -1 under single collision conditions. Combining our laboratory data with high-level electronic structure calculations, we reveal that this bimolecular reaction proceeds through the barrierless addition of the methylidyne radical to the carbon-carbon double bonds of 1,2-butadiene leading to doublet C 5 H 7 intermediates. These collision adducts undergo a non-statistical unimolecular decomposition through atomic hydrogen elimination to at least the cyclic 1-vinyl-cyclopropene (p5/p26), 1-methyl-3-methylenecyclopropene (p28), and 1,2-bis(me-thylene)cyclopropane (p29) in overall exoergic reactions. Lastly, the barrierless nature of this bimolecular reaction suggests that these cyclic C 5 H 6 isomers might be viable targets to be searched in cold molecular clouds like TMC-1.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quantitative three-dimensional imaging of chemical short-range order via machine learning enhanced atom probe tomography

Abstract Chemical short-range order (CSRO) refers to atoms of specific elements self-organising within a disordered crystalline matrix to form particular atomic neighbourhoods. CSRO is typically characterized indirectly, using volume-averaged or through projection microscopy techniques that fail to capture the three-dimensional atomistic architectures. Here, we present a machine-learning enhanced approach to break the inherent resolution limits of atom probe tomography enabling three-dimensional imaging of multiple CSROs. We showcase our approach by addressing a long-standing question encountered in body-centred-cubic Fe-Al alloys that see anomalous property changes upon heat treatment. We use it to evidence non-statistical B 2 -CSRO instead of the generally-expected D0 3 -CSRO. We introduce quantitative correlations among annealing temperature, CSRO, and nano-hardness and electrical resistivity. Our approach is further validated on modified D0 3 -CSRO detected in Fe-Ga. The proposed strategy can be generally employed to investigate short/medium/long-range ordering phenomena in different materials and help design future high-performance materials.

36 MATERIALS SCIENCE↗

Simulation of the photodetachment spectra of the nitrate anion (NO 3 ₋ ) in the B ~ 2 E' energy range and non-adiabatic electronic population dynamics of NO 3

The photodetachment spectrum of the nitrate anion (NO 3 ₋ ) in the energy range of the NO 3 second excited state is simulated from first principles using quantum wave packet dynamics. The prediction at 10 K and 435 K relies on the use of an accurate full-dimensional fully coupled five state diabatic potential model utilizing an artificial neural network. The ability of this model to reproduce experimental spectra was demonstrated recently for the lower energy range. Analysis of the spectra indicates a weaker Jahn–Teller coupling compared to the first excited state. The detailed non-adiabatic dynamics is studied by computing the population dynamics. An ultra-fast non-statistical radiationless decay is found only among the Jahn–Teller components, which is followed by a slow statistical non-radiative decay among the different state manifolds. The latter is reproduced perfectly by a simple first order kinetics model. The dynamics in the second excited state is not affected by the presence of a conical intersection with the first excited state manifold.

36 MATERIALS SCIENCE↗

On the circularly polarized luminescence of individual triplet sublevels

Here, we discuss the possibility of using circularly polarized luminescence (CPL) as a tool to probe individual triplet spin sublevels that are populated nonadiabatically following photoexcitation. This study is motivated by a mechanism proposed for chirality-induced spin selectivity in which coupled electronic-nuclear dynamics may lead to a non-statistical population of the three triplet sublevels in chiral systems. We find that low-temperature CPL should aid in quantifying the exact spin state/s populated through coupled electronic-nuclear motion in chiral molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Radiation induced rotation of interplanetary dust particles - A feasibility study for a space experiment

Irregular interplanetary dust particles may acquire a considerable spin rate due to two non-statistical dynamical mechanisms induced by solar radiation. These arise from variations in surface albedo discussed by Radzievskii (1954) and from irregularities in surface geometry discussed by Paddack (1969). An experiment is reported which will lead to an evaluation in space of the effectiveness of these two spin mechanisms. The technique of optical levitation in an argon laser beam provides a stable trap for particles 10-60 microns in diameter. The objective is to design an optical trap for dielectric particles in vacuum to study these rotation mechanisms in the gravity-free environment of a Spacelab experiment.

Ratcliff, K. F.↗

Statistical analysis of secondary particle distributions in relativistic nucleus-nucleus collisions

The use is described of several statistical techniques to characterize structure in the angular distributions of secondary particles from nucleus-nucleus collisions in the energy range 24 to 61 GeV/nucleon. The objective of this work was to determine whether there are correlations between emitted particle intensity and angle that may be used to support the existence of the quark gluon plasma. The techniques include chi-square null hypothesis tests, the method of discrete Fourier transform analysis, and fluctuation analysis. We have also used the method of composite unit vectors to test for azimuthal asymmetry in a data set of 63 JACEE-3 events. Each method is presented in a manner that provides the reader with some practical detail regarding its application. Of those events with relatively high statistics, Fe approaches 0 at 55 GeV/nucleon was found to possess an azimuthal distribution with a highly non-random structure. No evidence of non-statistical fluctuations was found in the pseudo-rapidity distributions of the events studied. It is seen that the most effective application of these methods relies upon the availability of many events or single events that possess very high multiplicities.

Mcguire, Stephen C.↗

Product energy distributions and energy partitioning in O atom reactions on surfaces

Surface reactions involving O atoms are likely to be highly exoergic, with different consequences if energy is channeled mostly to product molecules or surface modes. Thus the surface may become a source of excited species which can react elsewhere, or a sink for localized heat deposition which may disrupt the surface. The vibrational energy distribution of the product molecule contains strong clues about the flow of released energy. Two instructive examples of energy partitioning at surfaces are the Pt catalyzed oxidations: (1) C(ads) + O(ads) yields CO* (T is greater than 1000 K); and (2) CO(ads) + O(gas) yields CO2* (T is approx. 300 K). The infrared emission spectra of the excited product molecules were recorded and the vibrational population distributions were determined. In reaction 1, energy appeared to be statistically partitioned between the product CO and several Pt atoms. In reaction 2, partitioning was non-statistical; the CO2 asymmetric stretch distribution was inverted. In gas reactions these results would indicate a long lived and short lived activated complex. The requirement that Pt be heated in O atoms to promote reaction of atomic O and CO at room temperature is specifically addressed. Finally, the fraction of released energy that is deposited in the catalyst is estimated.

Halpern, Bret↗

The analysis of a rocket tomography measurement of the N2+3914A emission and N2 ionization rates in an auroral arc

Techniques were developed for recovering two-dimensional distributions of auroral volume emission rates from rocket photometer measurements made in a tomographic spin scan mode. These tomographic inversion procedures are based upon an algebraic reconstruction technique (ART) and utilize two different iterative relaxation techniques for solving the problems associated with noise in the observational data. One of the inversion algorithms is based upon a least squares method and the other on a maximum probability approach. The performance of the inversion algorithms, and the limitations of the rocket tomography technique, were critically assessed using various factors such as (1) statistical and non-statistical noise in the observational data, (2) rocket penetration of the auroral form, (3) background sources of emission, (4) smearing due to the photometer field of view, and (5) temporal variations in the auroral form. These tests show that the inversion procedures may be successfully applied to rocket observations made in medium intensity aurora with standard rocket photometer instruments. The inversion procedures have been used to recover two-dimensional distributions of auroral emission rates and ionization rates from an existing set of N2+3914A rocket photometer measurements which were made in a tomographic spin scan mode during the ARIES auroral campaign. The two-dimensional distributions of the 3914A volume emission rates recoverd from the inversion of the rocket data compare very well with the distributions that were inferred from ground-based measurements using triangulation-tomography techniques and the N2 ionization rates derived from the rocket tomography results are in very good agreement with the in situ particle measurements that were made during the flight. Three pre-prints describing the tomographic inversion techniques and the tomographic analysis of the ARIES rocket data are included as appendices.

Mcdade, Ian C.↗

Negative Binomial Fits to Multiplicity Distributions from Central Collisions of (16)O+Cu at 14.6A GeV/c and Intermittency

The concept of "Intermittency" was introduced by Bialas and Peschanski to try to explain the "large" fluctuations of multiplicity in restricted intervals of rapidity or pseudorapidity. A formalism was proposed to to study non-statistical (more precisely, non-Poisson) fluctuations as a function of the size of rapidity interval, and it was further suggested that the "spikes" in the rapidity fluctuations were evidence of fractal or intermittent behavior, in analogy to turbulence in fluid dynamics which is characterized by self-similar fluctuations at all scales-the absence of well defined scale of length.

Tannenbaum, M. J.↗

Data Mining and Complex Problems: Case Study in Composite Materials

Data mining is defined as the discovery of useful, possibly unexpected, patterns and relationships in data using statistical and non-statistical techniques in order to develop schemes for decision and policy making. Data mining can be used to discover the sources and causes of problems in complex systems. In addition, data mining can support simulation strategies by finding the different constants and parameters to be used in the development of simulation models. This paper introduces a framework for data mining and its application to complex problems. To further explain some of the concepts outlined in this paper, the potential application to the NASA Shuttle Reinforced Carbon-Carbon structures and genetic programming is used as an illustration.

Rabelo, Luis↗

Effects of Mild Hypobaric Hypoxia on Visual Field Impairment

INTRODUCTION: The primary objective of the Exploration Atmosphere (EA) study is to validate a new prebreathe protocol necessary before exposure to a suited hypobaric environment during extravehicular activity (EVA) from a habitat ‘exploration atmosphere’ of 56.5kPa (8.2 psia), 34% O2, 66% N2. Prebreathe protocols must be time and resource efficient while also controlling Decompression Sickness (DCS) risk to within acceptable limits. The habitat hypobaric exploration atmosphere also results in a mildly hypoxic environment (piO2 = 128mmHg). As a secondary objective of the EA study, we characterized the effects of 11-day exposure to a mild hypobaric hypoxic environment on visual performance. METHODS: Two, 11-day hypobaric chamber tests were performed (EA-1and EA-2, n=8 each) in NASA’s 20-foot chamber at Johnson Space Center where subjects lived in the exploration atmosphere. Subjects also underwent simulated 6-hour EVAs at 85% O2 and 29.6 kPa during EVA on days 3, 5, 7, 9, and 11. Visual acuity (VA), a measure of spatial resolution, and contrast sensitivity (CS), a measure of ability to distinguish ever finer increments of brightness, were assessed on non-EVA days by using gapped Landolt C testing. The luminance was controlled by using a booth, a light monitor, and a lighting rheostat. EA-1 data had revealed problems in lighting control impacting consistency of the data. Procedures were subsequently updated for the EA-2 test. RESULTS: EA-1 data revealed large variance and data recording errors and was removed from the analysis. One participant left the study at Test Day 3 during EA-2. EA-2 ANOVA results showed CS (mean change=0.010 logCSWeber) and VA (mean change, -0.016 logMAR) between pre-test and 11-day test phases; however, neither VA nor CS changes were statistically significant. There were non-statistically significant declines in VA across test phases. DISCUSSION: Overall, visual field performance did not exhibit clinically significant changes (3 lines or greater change in LogMar chart) during exposure to the mild hypoxic exploration atmosphere environment compared to pre-test baseline. The consistency and stability of VA data during EA-2 suggests that the mild hypobaric hypoxic environment did not cause clinically significant negative impacts to participants’ visual field performance.

Visual Acuity↗

Effects of Mild Hypobaric Hypoxia on Visual Field Impairment

INTRODUCTION: The primary objective of the Exploration Atmosphere (EA) study is to validate a new prebreathe protocol necessary before exposure to a suited hypobaric environment during extravehicular activity (EVA) from a habitat ‘exploration atmosphere’ of 56.5kPa (8.2 psia), 34% O2, 66% N2. Prebreathe protocols must be time and resource efficient while also controlling Decompression Sickness (DCS) risk to within acceptable limits. The habitat hypobaric exploration atmosphere also results in a mildly hypoxic environment (piO2 = 128mmHg). As a secondary objective of the EA study, we characterized the effects of 11-day exposure to a mild hypobaric hypoxic environment on visual performance. METHODS: Two, 11-day hypobaric chamber tests were performed (EA-1and EA-2, n=8 each) in NASA’s 20-foot chamber at Johnson Space Center where subjects lived in the exploration atmosphere. Subjects also underwent simulated 6-hour EVAs at 85% O2 and 29.6 kPa during EVA on days 3, 5, 7, 9, and 11. Visual acuity (VA), a measure of spatial resolution, and contrast sensitivity (CS), a measure of ability to distinguish ever finer increments of brightness, were assessed on non-EVA days by using gapped Landolt C testing. The luminance was controlled by using a booth, a light monitor, and a lighting rheostat. EA-1 data had revealed problems in lighting control impacting consistency of the data. Procedures were subsequently updated for the EA-2 test. RESULTS: EA-1 data revealed large variance and data recording errors and was removed from the analysis. One participant left the study at Test Day 3 during EA-2. EA-2 ANOVA results showed CS (mean change=0.010 logCSWeber) and VA (mean change, -0.016 logMAR) between pre-test and 11-day test phases; however, neither VA nor CS changes were statistically significant. There were non-statistically significant declines in VA across test phases. DISCUSSION: Overall, visual field performance did not exhibit clinically significant changes (3 lines or greater change in LogMar chart) during exposure to the mild hypoxic exploration atmosphere environment compared to pre-test baseline. The consistency and stability of VA data during EA-2 suggests that the mild hypobaric hypoxic environment did not cause clinically significant negative impacts to participants’ visual field performance.

Visual Acuity↗

Transient Symmetry Controls Photo Dynamics near Conical Intersections

Excited-state chemistry lacks generalised symmetry rules. With many femtochemistry studies focused on individual cases, it is hard to build up the same level of chemical intuition for excited-states as exists for ground states. Here, we unravel the degrees of freedom involved in ultrafast internal conversion (IC) by mapping the vibrational coherence of the initial wavepacket, and the dependence on molecular symmetry in various cyclic tertiary amines. Molecular symmetry plays an important role in the preservation of vibrational coherence in the transit from one electronic state to another. We show here that it is sufficient for the molecule to simply have the possibility of a more symmetric structure to achieve the preservation of vibrational coherence. It can be transient and still lead to preservation. Furthermore, this finding provides an additional angle on how symmetry influences electronic transitions and an additional piece to the puzzle of establishing symmetry-based selection rules for excited-state processes.

74 ATOMIC AND MOLECULAR PHYSICS↗