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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

Dissociation and Recombination Effects on the Performance of Pulse Detonation Engines

This paper summarizes major theoretical results for pulse detonation engine performance taking into account real gas chemistry, as well as significant performance differences resulting from the presence of ram and compression heating. An unsteady CFD analysis, as well as a thermodynamic cycle analysis, was conducted in order to determine the actual and the ideal performance for an air-breathing pulse detonation engine (PDE) using either a hydrogen-air or ethylene-air mixture over a flight Mach number range from 0 to 4. The results clearly elucidate the competitive regime of PDE application relative to ramjets and gas turbines.

Povinelli, Louis A.↗
DOE OSTI2025

Structural basis for sensitivity and acquired resistance of fungal cap guanine-N7 methyltransferases to the antifungal antibiotic sinefungin

Abstract The essential enzyme messenger RNA (mRNA) (guanine-N7) methyltransferase catalyzes S-adenosylmethionine (SAM)-dependent conversion of GpppRNA ends to the m7GpppRNA cap structure characteristic of eukaryal mRNAs. The antibiotic sinefungin (SFG) is a SAM analog in which the S-CH3 sulfonium moiety of SAM is replaced by a C-NH2 amine. Available evidence indicates that the antifungal activity of SFG is exerted via inhibition of fungal cap methyltransferase Abd1. Here we report that recombinant Kluyveromyces lactis and Saccharomyces cerevisiae Abd1 are 240-fold and 485-fold more sensitive to inhibition by SFG than by the reaction product S-adenosylhomocysteine (SAH). Crystal structures of K. lactis and S. cerevisiae Abd1 as binary complexes with SAH or SFG and ternary complexes with GTP•SFG highlight how SFG makes two hydrogen bonds from its C-NH2 amine to the guanine-O6 and -N7 atoms of GTP that account for its higher affinity vis-à-vis SAH and SAM. Through a genetic screen to isolate SFG-resistant S. cerevisiae strains, a conserved tyrosine (Tyr416) that interacts with the cap guanine in Abd1 was identified as a key determinant of SFG potency. Tyr416 Abd1 variants confer SFG resistance in vitro by weakening cap-assisted SFG interactions with Abd1. Our study illuminates the basis for the exquisite SFG sensitivity of fungal cap methyltransferases.

Biochemistry & Molecular Biology↗
NASA NTRS1972

Spectroscopic studies of the exhaust plume of a quasi-steady MPD accelerator

Spectroscopic and photographic investigations are reported that reveal a complex azimuthal species structure in the exhaust plume of a quasi-steady argon MPD accelerator. Over a wide range of operating conditions the injected argon remains collimated in discrete jets which are azimuthally in line with the six propellant injector orifices. The regions between these argon jets, including the central core of the exhaust flow, are occupied by impurities such as carbon, hydrogen and oxygen ablated from the Plexiglas back plate of the arc chamber. The features of this plume structure are found to be dependent on the arc current and mass flow rate. It is found that nearly half the observed velocity is attained in an acceleration region well downstream of the region of significant electromagnetic interaction. Recombination calculations show that the ionization energy is essentially frozen.

Bruckner, A. P.↗
NASA NTRS2002

A calmodulin-binding/CGCG box DNA-binding protein family involved in multiple signaling pathways in plants

We reported earlier that the tobacco early ethylene-responsive gene NtER1 encodes a calmodulin-binding protein (Yang, T., and Poovaiah, B. W. (2000) J. Biol. Chem. 275, 38467-38473). Here we demonstrate that there is one NtER1 homolog as well as five related genes in Arabidopsis. These six genes are rapidly and differentially induced by environmental signals such as temperature extremes, UVB, salt, and wounding; hormones such as ethylene and abscisic acid; and signal molecules such as methyl jasmonate, H(2)O(2), and salicylic acid. Hence, they were designated as AtSR1-6 (Arabidopsis thaliana signal-responsive genes). Ca(2+)/calmodulin binds to all AtSRs, and their calmodulin-binding regions are located on a conserved basic amphiphilic alpha-helical motif in the C terminus. AtSR1 targets the nucleus and specifically recognizes a novel 6-bp CGCG box (A/C/G)CGCG(G/T/C). The multiple CGCG cis-elements are found in promoters of genes such as those involved in ethylene signaling, abscisic acid signaling, and light signal perception. The DNA-binding domain in AtSR1 is located on the N-terminal 146 bp where all AtSR1-related proteins share high similarity but have no similarity to other known DNA-binding proteins. The calmodulin-binding nuclear proteins isolated from wounded leaves exhibit specific CGCG box DNA binding activities. These results suggest that the AtSR gene family encodes a family of calmodulin-binding/DNA-binding proteins involved in multiple signal transduction pathways in plants.

Non-NASA Center↗
DOE OSTI2026

Photovoltage behaviour of p-Sb 2 S 3 photocathodes for hydrogen evolution: effect of n-In 2 S 3 passivation layers

The 1.76 eV band gap of antimony(iii) sulphide (Sb 2 S 3 ) makes this semiconductor material a promising light absorber for photoelectrochemical water splitting, but scalable fabrication approaches to efficient devices are still lacking. Here we show that compact Sb 2 S 3 films on FTO can be obtained by electrochemical growth from aqueous colloidal sulphur and antimony trichloride solutions, followed by mild annealing. These films can be converted into hydrogen evolution photocathodes after coating with In 2 S 3 passivation layers and the addition of Pt proton reduction co-catalysts. For the first time, vibrating Kelvin probe surface photovoltage (VKP-SPV) spectroscopy is used to observe the carrier dynamics in such photoelectrodes. While the bare Sb 2 S 3 films suffer from high surface recombination rates and poor electron extraction, the In 2 S 3 overlayer is found to raise the photovoltage and cathodic photocurrent density, due to passivation of surface defects and formation of a p–n heterojunction. In thick In 2 S 3 films, these benefits are offset by shading and slow electron transfer. Also, we find that O 2 strongly affects the band bending in the Sb 2 S 3 –air and In 2 S 3 –air junctions and their photovoltage. The optimised devices evolve H 2 at 77.5% Faradaic efficiency and with 0.084% applied bias photon-to-current efficiency (ABPE) at 0.12 V vs. RHE. The low ABPE value is attributed to Sb 2 S 3 sub-bandgap defects visible in SPV spectra, the random orientation of Sb 2 S 3 crystallites in the films, which inhibits charge transport, the absence of crystal facets of Sb 2 S 3 , and a detrimental Schottky junction at the FTO|Sb 2 S 3 interface.

de Araújo, Moisés A. [University of California, Da↗
NASA NTRS1992

Ab initio atomic recombination reaction energetics on model heat shield surfaces

Ab initio quantum mechanical calculations on small hydration complexes involving the nitrate anion are reported. The self-consistent field method with accurate basis sets has been applied to compute completely optimized equilibrium geometries, vibrational frequencies, thermochemical parameters, and stable site labilities of complexes involving 1, 2, and 3 waters. The most stable geometries in the first hydration shell involve in-plane waters bridging pairs of nitrate oxygens with two equal and bent hydrogen bonds. A second extremely labile local minimum involves out-of-plane waters with a single hydrogen bond and lies about 2 kcal/mol higher. The potential in the region of the second minimum is extremely flat and qualitatively sensitive to changes in the basis set; it does not correspond to a true equilibrium structure.

Senese, Fredrick↗
NASA NTRS1986

Development of high-efficiency solar cells on silicon web

Work is reported aimed at identifying and reducing sources of carrier recombination both in the starting web silicon material and in the processed cells. Cross-sectional transmission electron microscopy measurements of several web cells were made and analyzed. The effect of the heavily twinned region on cell efficiency was modeled, and the modeling results compared to measured values for processed cells. The effects of low energy, high dose hydrogen ion implantation on cell efficiency and diffusion length were examined. Cells were fabricated from web silicon known to have a high diffusion length, with a new double layer antireflection coating being applied to these cells. A new contact system, to be used with oxide passivated cells and which greatly reduces the area of contact between metal and silicon, was designed. The application of DLTS measurements to beveled samples was further investigated.

Meier, D. L.↗
NASA NTRSDate not supplied

Inertia of Ionospheric Conductance During Electron Precipitation Events in Pulsating Aurora and Polar Arcs

Using coupled SuperThermal Electron Transport (STET) and Super-thermal Proton Electron Atomic Hydrogen – tRansport in the Ionosphere and Thermosphere (SPEAH-RIT) codes, we demonstrate that temporal variability of ionospheric conductance is defined by several time scales: magnetospheric source time variations, starting time of electron precipitation, and termination of the corresponding source of magnetospheric origin. In this case, the time scales are defined by dissipation of energetic electrons and effective recombination processes. The results presented in this paper were applied in the regions of pulsating aurora and polar arcs, demonstrating the fact that ionospheric conductance requires some time to form and decay. These time delays constitute an effective “inertia” in the conductance calculation which is not accounted for in many global models which assume an instantaneous connection between precipitation and conductance. Ionospheric conductance inertia influences the temporal variation in ionospheric and magnetospheric electric fields, and as a result, impacts magnetospheric dynamics and ultimately reconfigures the electron precipitation.

Khazanov, George V↗
DOE OSTI2026

Variability of MHD instabilities in benign termination of high-current runaway electron beams in the JET and DIII-D tokamaks

Benign termination, in which magnetohydrodynamic (MHD) instabilities deconfine runaway electrons (REs) following hydrogenic injections, is a promising strategy for mitigating dangerous RE loads after disruptions. Recent experiments on the Joint European Torus (JET) have explored this scenario at higher pre-disruptive plasma currents than are achievable on other devices, revealing challenges in obtaining benign terminations at I p ≥2.5 MA. This work analyzes the evolution of these high-current RE beams and their terminating MHD events using fast magnetic sensor measurements and EFIT equilibrium reconstructions for approximately 40 JET and 20 DIII-D tokamak discharges. On JET, unsuccessful non-benign terminations occur at low edge safety factor (q edge ≈ 2), and are preceded by intermittent, non-terminating MHD events at higher rational qedge. Trends in the internal inductance I i indicate more peaked RE current profiles in the high-I p non-benign population, which may hinder successful recombination through re-ionization of the companion plasma. In contrast, benign terminations on JET typically occur at higher q edge ≥3 and exhibit less peaked RE current profiles. DIII-D displays a broader range of terminating edge safety factors, again correlated with the measured values. Across both tokamaks, the RE current peaking is therefore found to determine which MHD instability boundary is encountered, a result confirmed by linear resistive MHD modeling with the CASTOR3D code. Measured growth rates are similar for benign and non-benign cases, indicating that ideal MHD timescales at low density after hydrogenic injection do not alone explain efficient RE deconfinement. Instead, non-benign cases are most readily characterized by their comparably lower overall MHD perturbation amplitudes δB. These observations suggest that the interplay between ideal and resistive dynamics governs the termination process, with implications for extrapolating benign RE termination to high-I p reactor scenarios.

MHD instabilities↗
DOE OSTI2022

Non-Equilibrium Doping of Poly-Si:Ga/SiOx Passivating Contacts Solar Cells

In this contribution, we show that Ga-hyperdoped poly-Si/SiOx contacts are realized by pulsed laser annealing and post-hydrogenation. The motivation behind this work is to improve the inferior performance of boron-doped poly- Si/SiOx contacts when compared to the phosphorus-doped contacts. Here we used Ga as a novel p-type dopant to replace B, as B is known to accumulate at the interface between the oxide and the crystalline silicon and cause recombination. Due to a high diffusivity of Ga in oxide and a much higher segregation coefficient (Si:SiOx), Ga is shown to be immune to the oxide pileup phenomenon. However, Ga has a low solid solubility limit in Si (5x10^19 cm-3), which is not enough to form a low resistivity contact. To overcome this problem, we explored pulsed laser annealing via excimer laser by varying the laser energy densities and pulses. The passivation and electrical properties are studied systematically using photoluminescence (PL), secondary ion mass spectrometry (SIMS), and Van der Pauw-Hall measurements. We show an active Ga doping concentration above 1x10^20 cm^-3, which is above the solid solubility limit of Ga in Si. Good passivation quality is demonstrated with the highest implied Voc (iVoc) of 721 mV on single side polished samples. Furthermore, a low diode contact resistivity of ~22 m..omega.. cm^2 is obtained using Ti/Ag contacts, with minimal metal-to-semiconductor contact resistivity of 0.9 m..omega.. cm^2.

non-equilibrium doping↗
NASA NTRS2024

Inertia of Ionospheric Conductance During Electron Precipitation Events

Using the SuperThermal Electron Transport (STET) model coupled with the Super‐thermal Proton Electron Atomic Hydrogen—tRansport in the Ionosphere and Thermosphere (SPEAH‐RIT) codes, we demonstrate that temporal variability of ionospheric conductance is defined by several time scales: the temporal variations of the magnetospheric source, the start time of electron precipitation, and the termination of the corresponding source. In these cases, the time scales are defined by dissipation of energetic electrons and effective recombination processes. The results presented in this paper were applied in the regions of pulsating aurora and polararcs, demonstrating the fact that ionospheric conductance requires some time to form and decay. These time delays constitute an effective “inertia” in the conductance calculation which is- not accounted for in many global models which assume an instantaneous connection between precipitation and conductance. Ionospheric conductance inertia influences the temporal variation in ionospheric and magnetospheric electric fields, and as a result, impacts magnetosphere‐ionosphere (MI) dynamics on a global scale.

George V Khazanov↗
DOE OSTI2021

A Novel Glutathione S-Transferase Gtt2 Class (VpGSTT2) Is Found in the Genome of the AHPND/EMS Vibrio parahaemolyticus Shrimp Pathogen

Glutathione S-transferases are a family of detoxifying enzymes that catalyze the conjugation of reduced glutathione (GSH) with different xenobiotic compounds using either Ser, Tyr, or Cys as a primary catalytic residue. We identified a novel GST in the genome of the shrimp pathogen V. parahaemolyticus FIM- S1708+, a bacterial strain associated with Acute Hepatopancreatic Necrosis Disease (AHPND)/Early Mortality Syndrome (EMS) in cultured shrimp. This new GST class was named Gtt2. It has an atypical catalytic mechanism in which a water molecule instead of Ser, Tyr, or Cys activates the sulfhydryl group of GSH. The biochemical properties of Gtt2 from Vibrio parahaemolyticus (VpGSTT2) were characterized using kinetic and crystallographic methods. Recombinant VpGSTT2 was enzymatically active using GSH and CDNB as substrates, with a specific activity of 5.7 units/mg. Low affinity for substrates was demonstrated using both Michaelis–Menten kinetics and isothermal titration calorimetry. The crystal structure showed a canonical two-domain structure comprising a glutathione binding G-domain and a hydrophobic ligand H domain. A water molecule was hydrogen-bonded to residues Thr9 and Ser 11, as reported for the yeast Gtt2, suggesting a primary role in the reaction. Molecular docking showed that GSH could bind at the G-site in the vicinity of Ser11. G-site mutationsT9A and S11A were analyzed. S11A retained 30% activity, while T9A/S11A showed no detectable activity. VpGSTT2 was the first bacterial Gtt2 characterized, in which residues Ser11 and Thr9 coordinated a water molecule as part of a catalytic mechanism that was characteristic of yeast GTT2. The GTT2 family has been shown to provide protection against metal toxicity; in some cases, excess heavy metals appear in shrimp ponds presenting AHPND/EMS. Further studies may address whether GTT2 in V. parahaemolyticus pathogenic strains may provide a competitive advantage as a novel detoxification mechanism.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1989

The evolution of organic mantles on interstellar grains

By laboratory simulation of the chemical processes on dust grains it was investigated how solid organic materials can be produced in the interstellar medium. The ice mantles that accrete on grains in molecular clouds, consisting primarily of H2O, CO, H2CO, NH3, and O2, are irradiated by the internal UV field, resulting in the storage of radicals upon photodissociation of the original molecules. Transient heating events lead to the production of oxygen-rich organic species by recombination reactions. The experiments indicated that in this way the observed amount of organic material can be produced if a grain passes a few times through a molecular cloud during its life. After the destruction of the cloud the grains enter a more diffuse medium. Here they are subjected to the interstellar UV field as well as to collisions with atomic hydrogen. Experiments show that the intense photoprocessing results in the removal of small species like H2O and NH3 as well as in carbonization of the organic molecules. Contrary to this, the atomic H flux will maintain a certain hydrogen level in the mantle. These processes likely convert the original, oxygen-rich organics into an unsaturated hydrocarbon type material such as that observed towards IRS 7 and in Comet Halley grains.

Schutte, Willem A.↗
NASA NTRS2000

The chimeric eukaryote: origin of the nucleus from the karyomastigont in amitochondriate protists

We present a testable model for the origin of the nucleus, the membrane-bounded organelle that defines eukaryotes. A chimeric cell evolved via symbiogenesis by syntrophic merger between an archaebacterium and a eubacterium. The archaebacterium, a thermoacidophil resembling extant Thermoplasma, generated hydrogen sulfide to protect the eubacterium, a heterotrophic swimmer comparable to Spirochaeta or Hollandina that oxidized sulfide to sulfur. Selection pressure for speed swimming and oxygen avoidance led to an ancient analogue of the extant cosmopolitan bacterial consortium "Thiodendron latens." By eubacterial-archaebacterial genetic integration, the chimera, an amitochondriate heterotroph, evolved. This "earliest branching protist" that formed by permanent DNA recombination generated the nucleus as a component of the karyomastigont, an intracellular complex that assured genetic continuity of the former symbionts. The karyomastigont organellar system, common in extant amitochondriate protists as well as in presumed mitochondriate ancestors, minimally consists of a single nucleus, a single kinetosome and their protein connector. As predecessor of standard mitosis, the karyomastigont preceded free (unattached) nuclei. The nucleus evolved in karyomastigont ancestors by detachment at least five times (archamoebae, calonymphids, chlorophyte green algae, ciliates, foraminifera). This specific model of syntrophic chimeric fusion can be proved by sequence comparison of functional domains of motility proteins isolated from candidate taxa.

Review, Tutorial↗
DOE OSTI2022

Tracking structural solvent reorganization and recombination dynamics following e – photoabstraction from aqueous I – with femtosecond x-ray spectroscopy and scattering

Here we present a sub-picosecond resolved investigation of the structural solvent reorganization and geminate recombination dynamics following 400 nm two-photon excitation and photodetachment of a valence p electron from the aqueous atomic solute, I–(aq). The measurements utilized time-resolved X-ray Absorption Near Edge Structure (TR-XANES) spectroscopy and X-ray Solution Scattering (TR-XSS) at the Linac Coherent Light Source x-ray free electron laser in a laser pump/x-ray probe experiment. The XANES measurements around the L 1 -edge of the generated nascent iodine atoms (I 0 ) yield an average electron ejection distance from the iodine parent of 7.4 ± 1.5 Å with an excitation yield of about 1/3 of the 0.1M NaI aqueous solution. The kinetic traces of the XANES measurement are in agreement with a purely diffusion-driven geminate iodine–electron recombination model without the need for a long-lived (I 0 :e–) contact pair. Nonequilibrium classical molecular dynamics simulations indicate a delayed response of the caging H 2 O solvent shell and this is supported by the structural analysis of the XSS data: We identify a two-step process exhibiting a 0.1 ps delayed solvent shell reorganization time within the tight H-bond network and a 0.3 ps time constant for the mean iodine–oxygen distance changes. The results indicate that most of the reorganization can be explained classically by a transition from a hydrophilic cavity with a well-ordered first solvation shell (hydrogens pointing toward I–) to an expanded cavity around I 0 with a more random orientation of the H 2 O molecules in a broadened first solvation shell.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1979

Ortho and parahydrogen in interstellar material

The ortho/para molecular hydrogen ratio in the interstellar medium is considered. It is shown that the ortho/para ratio will be 3:1 in practically all chemical reactions, even at relatively low temperatures. Two examples of exothermic processes that will result in the formation of a 3:1 ortho:para ratio, corresponding to a high-temperature equilibrium, are examined: H2 formation via three-body or surface recombination and catalytic recombination involving electrons and H(-) ions. Gas-phase scrambling ion reactions are also discussed, and it is suggested that virtually all the H2 equilibrated via scrambling reactions involving H(+) and H3(+) ions should exist as parahydrogen in the J ? 0 quantum state. Arguments are given that deuterium cannot interfere with the long scrambling chain that results in parahydrogen formation.

Reeves, R. R.↗
NASA NTRS2005

Experimental Study on Interactions Between H Atoms and Organic Haze

In Titan s atmosphere composed of N2 and CH4, irradiations of both solar ultraviolet light and charged particles induce active chemical reactions. In the processes of these reactions, a large amount of hydrogen (H) atoms are expected to be formed by dissociation of CH4 and other hydrocarbons [e.g., 1, 2]. Theoretical models suggest that these active H atoms need to be converted to stable hydrogen molecules (H2) efficiently to maintain unsaturated hydrocarbons and organic haze in Titan s atmosphere [e.g., 1]. Furthermore, molecular hydrogen is an important greenhouse effect gas in Titan s atmosphere, and small variation in its abundance strongly affects Titan s surface temperature [3]. Thus, the formation of H2 molecules from H atoms is a key reaction for both the atmospheric chemistry and the surface environment of Titan. Although several numerical calculations have been conducted to investigate the atmospheric chemistry of Titan with hypothesized recombination reactions of H atoms, such as catalytic scheme of C4H2 [e.g., 1, 2], it is still unclear what chemical reaction is responsible for the conversion of H atoms to H2 molecules in Titan s atmosphere.

Sekine, Y.↗
NASA NTRS1991

Finite-rate chemistry effects in a Mach 2 reacting flow

UV spontaneous vibrational Raman scattering and laser-induced predissociative fluorescence (LIPF) are combined and applied to a supersonic flame. For the first time, simultaneous measurements of temperature, major species (H2, O2, N2, H2O), and minor species (OH) concentrations are obtained with a 'single' excimer laser in a supersonic-lifted hydrogen-air diffusion flame. In the supersonic flame, a small amount of reaction occurs upstream of the lifted flame base, due to shock wave interactions and mixing with hot vitiated air. The strong turbulent mixing and high total enthalpy fluctuations lead to nonequilibrium values of temperature, and major and minor species concentrations. Combustion occurs farther downstream of the lifted region where slow three-body recombination reactions result in superequilibrium OH concentrations that depress the temperatures below their equilibrium values. Farther downstream, ambient air entrainment contaminates flame properties.

Cheng, T. S.↗