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At least 1,531 records · Page 85
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Slow dynamic elasticity at short times

It has been reported that slow dynamic nonlinear elastic relaxations, widely thought to proceed universally in proportion to the logarithm of time after cessation of mechanical conditioning, actually recover with a smaller slope at early times, with a time of transition that varies with the grain size of the material. Furthermore, this would constitute a heretofore unreported failure of the claimed universality, while suggesting application to nondestructive evaluation and structural health monitoring. Here we present new observations at short times, in the single bead system, in cement paste, mortar, concrete, sandstone and granite. Within the limits imposed by finite duration ring-down such that the effective instant of conditioning cessation is imprecise, and the corresponding ambiguity as to the time at which relaxation begins, we find no reliable sign of such a transition, even in samples of large grain size mortar and concrete similar to those described elsewhere as having clear and late cutoffs.

58 GEOSCIENCES↗
NASA NTRS1991

G33.6 + 0.1 - A shell type supernova remnant with unusual structure

The morphology of Supernova Remnant G33.6 + 0.1 (Kes 79) has been studied in the X-rays with Einstein and in the radio wavelengths using the VLA. Multifrequency high resolution observations of the VLA at 327, 1500, and 5000 MHz are used to study the radio spectrum and polarization. The radio emission shows well formed outer shell structure and very bright central emission. Although the overall distribution of spectral index (about -0.6 to -0.75) is consistent with that of shell type remnants, the bright filamentary emission along the 'inner ring' has relatively flatter spectrum (alpha about -0.4). Both radio and X-rays show strong central emission; existence of a plerion near the center cannot be ruled out. The X-ray image does not show the characteristic limb brightening for shell type SNRs. The X-ray and radio morphology may be understood in terms of very thick shell and the bright central emission as due to reverse shock.

Velusamy, T.↗
DOE OSTI2021

A Flexible Power Method for Solving Infinite Dimensional Tensor Eigenvalue Problems

We propose a flexible power method for computing the leftmost, i.e., algebraically smallest, eigenvalue of an infinite dimensional tensor eigenvalue problem, $H x = \lambda x$, where the infinite dimensional symmetric matrix $H$ exhibits a translational invariant structure. We assume the smallest eigenvalue of $H$ is simple and apply a power iteration of $e^{-H}$ with the eigenvector represented in a compact way as a translational invariant infinite Tensor Ring (iTR). Hence, the infinite dimensional eigenvector can be represented by a finite number of iTR cores of finite rank. In order to implement this power iteration, we use a small parameter $t$ so that the infinite matrix-vector operation $e^{-Ht}x$ can efficiently be approximated by the Lie product formula, also known as Suzuki--Trotter splitting, and we employ a low rank approximation through a truncated singular value decomposition on the iTR cores in order to keep the cost of subsequent power iterations bounded. We also use an efficient way for computing the iTR Rayleigh quotient and introduce a finite size iTR residual which is used to monitor the convergence of the Rayleigh quotient and to modify the timestep $t$. In this paper, we discuss 2 different implementations of the flexible power algorithm and illustrate the automatic timestep adaption approach for several numerical examples.

Beeumen, Roel Van↗
NASA NTRS2003

Structural Basis for Flip-Flop Action of Thiamin Pyrophosphate-Dependent Enzymes Revealed by Human Pyruvate Dehydrogenase

Thiamin pyrophosphate (TPP), the biologically active form of vitamin BI, is a cofactor of enzymes catalyzing reactions involving the cleavage of a carbon-carbon bond adjacent to an oxo group. TPP-dependent enzymes show a common mechanism of TPP activation by: (1) forming the ionic N-H...O(sup -) hydrogen bonding between the N1' atom of the aminopirymidine ring of the coenzyme and intrinsic gamma-carboxylate group of glutamate and (2) imposing an "active" V-conformation that brings the N4' atom of the aminopirymidine to the distance required for the intramolecular C-H.. .N hydrogen bonding with the thiazolium C2 atom. Within these two hydrogen bonds that rapidly exchange protons, protonation of the N1' atom is strictly coordinated with the deprotonation of the 4' -amino group and eventually abstraction of the proton from C2. The human pyruvate dehydrogenase Elp, component of human pyruvate dehydrogenase complex, catalyzes the irreversible decarboxylation of the pyruvate followed by the reductive acetylation of the lipoyl group of dihydrolipoyl acyltransferase. Elp is alpha(sub 2)beta(sub2)-heterotetrameric with a molecular mass of I54 kDa, which has two catalytic sites, each providing TPP and magnesium ion as cofactors and each formed on the interface between the PP and PYR domains. The dynamic nonequivalence of two otherwise chemically equivalent catalytic sites has been observed and the flip-flop mechanism was suggested, according to which two active sites affect each other and in which different steps of the catalytic reaction are performed in each of the sites at any given moment. Based on specific futures of human pyruvate dehydrogenase including rigid and flexible connections between domains that bind the cofactor we propose a mechanistic model for the flip-flop action of this enzyme. We postulate that the dynamic protein environment drives the exchange of tautomers in the 4' -aminopyrimidine ring of the cofactor through a concerted shuttl-like motion of tightly connected domains. The dynamic exchange of those tautomers, in turns, is required during the reactions of pyruvate decarboxylation and reductive acetylation of lipoamide. Thus the shuttle-like motion of the domains is coordinated with the reactions of decarboxylation and acetylation, which are carried out in each of the cofactor sites resulting in a flip-flop action of the enzyme. The structure-derived mechanism of action of human pyruvate dehydrogenase may be likely common for other TPP-dependent enzymes.

Dominiak, Paulina↗
DOE OSTI2022

Interfacial Unit-Dependent Catalytic Activity for CO Oxidation over Cerium Oxysulfate Cluster Assemblies

Atomically precise cerium oxo clusters offer a platform to investigate structure–property relationships that are much more complex in the ill-defined bulk material cerium dioxide. We investigated the activity of the MCe 70 torus family (M = Cd, Ce, Co, Cu, Fe, Ni, and Zn), a family of discrete oxysulfate-based Ce 70 rings linked by monomeric cation units, for CO oxidation. CuCe 70 emerged as the best performing MCe 70 catalyst among those tested, prompting our exploration of the role of the interfacial unit on catalytic activity. Temperature-programmed reduction (TPR) studies of the catalysts indicated a lower temperature reduction in CuCe 70 as compared to CeCe 70 . In situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) indicated that CuCe 70 exhibited a faster formation of Ce 3+ and contained CO bridging sites absent in CeCe 70 . Isothermal CO adsorption measurements demonstrated a greater uptake of CO by CuCe 70 as compared to CeCe 70 . The calculated energies for the formation of a single oxygen defect in the structure significantly decreased with the presence of Cu at the linkage site as opposed to Ce. Furthermore, this study revealed that atomic-level changes in the interfacial unit can change the reducibility, CO binding/uptake, and oxygen vacancy defect formation energetics in the MCe 70 family to thus tune their catalytic activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Accurate Thermochemistry of Complex Lignin Structures via Density Functional Theory, Group Additivity, and Machine Learning

A molecular-level understanding of lignin structures and bond dissociation energies could facilitate depolymerization technologies. Still, this information is currently limited due to the lack of databases and the simplification of surrogate models. Here, substitution effects on seven common linkages in lignin polymers are systematically investigated. An automated reaction network generator is employed to create a database of structures. A new group additivity (GA) model based on principal component analysis (PCA) descriptors is introduced and trained on gas-phase density functional theory data of 4100 species at the M06-2X/6-311++G(d,p) level. Hydrogen bonds, local steric, and nonaromatic ring contributions are also incorporated. Lastly, we improve the accuracy of the group additivity model to reach the G4 theory by computing a data set of 770 species at this level and using a data fusion approach.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2011

Reusable Solid Rocket Motor - Accomplishments, Lessons, and a Culture of Success

The Reusable Solid Rocket Motor represents the largest solid rocket motor ever flown and the only human rated solid motor. Each Reusable Solid Rocket Motor (RSRM) provides approximately 3-million lb of thrust to lift the integrated Space Shuttle vehicle from the launch pad. The motors burn out approximately 2 minutes later, separate from the vehicle and are recovered and refurbished. The size of the motor and the need for high reliability were challenges. Thrust shaping, via shaping of the propellant grain, was needed to limit structural loads during ascent. The motor design evolved through several block upgrades to increase performance and to increase safety and reliability. A major redesign occurred after STS-51L with the Redesigned Solid Rocket Motor. Significant improvements in the joint sealing systems were added. Design improvements continued throughout the Program via block changes with a number of innovations including development of low temperature o-ring materials and incorporation of a unique carbon fiber rope thermal barrier material. Recovery of the motors and post flight inspection improved understanding of hardware performance, and led to key design improvements. Because of the multidecade program duration material obsolescence was addressed, and requalification of materials and vendors was sometimes needed. Thermal protection systems and ablatives were used to protect the motor cases and nozzle structures. Significant understanding of design and manufacturing features of the ablatives was developed during the program resulting in optimization of design features and processing parameters. The project advanced technology in eliminating ozone-depleting materials in manufacturing processes and the development of an asbestos-free case insulation. Manufacturing processes for the large motor components were unique and safety in the manufacturing environment was a special concern. Transportation and handling approaches were also needed for the large hardware segments. The reusable solid rocket motor achieved significant reliability via process control, ground test programs, and postflight assessment. Process control is mandatory for a solid rocket motor as an acceptance test of the delivered product is not feasible. Process control included process failure modes and effects analysis, statistical process control, witness panels, and process product integrity audits. Material controls and inspections were maintained throughout the sub tier vendors. Material fingerprinting was employed to assess any drift in delivered material properties. The RSRM maintained both full scale and sub-scale test articles. These enabled continuous improvement of design and evaluation of process control and material behavior. Additionally RSRM reliability was achieved through attention to detail in post flight assessment to observe any shift in performance. The postflight analysis and inspections provided invaluable reliability data as it enables observation of actual flight performance, most of which would not be available if the motors were not recovered. These unique challenges, features of the reusable solid rocket motor, materials and manufacturing issues, and design improvements will be discussed in the paper.

Moore, Dennis R.↗
DOE OSTI2019

Structure-antioxidant activity relationships, QSAR, DFT calculation, and mechanisms of flavones and flavonols

DFT calculations were performed on nine flavones and flavonols to explain their high antioxidant activity and variations in their activity. Conformational analysis showed that only flavonols with 3-OH directed toward the B-ring are nonplanar; however, flavones and resulted radicals are planar. Hydroxyl group eligible for dissociation is the one with ortho OH directed toward it; otherwise, one of B-ring (in 2′ or 4′-position) hydroxyl group. There are two main factors responsible for stabilizing the resulted radicals and lowering the bond dissociation energy and hence there were found well correlated with the experimental activity. First, driving force resulted from the conversion of nonplanar flavonols to planar radicals accompanied by resonance toward the carbonyl group and H-bond formation with 3-OH and second, radical stabilization by H-bond with ortho hydroxyl group with resonance toward carbonyl or pyrone oxygen. All resonance and H-bonds were confirmed by spin density, bond length, and molecular orbital calculations.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

The Hidden Path to the Resonance-Stabilized Fulvenallenyl Radical (C 7 H 5 ) via the Bimolecular Reaction of Tricarbon (C 3 , X 1 Σ g + ) with 1,3-Butadiene (C 4 H 6 ; X 1 A g )

Here, we report a novel bimolecular reaction pathway forming the resonance-stabilized fulvenallenyl radical (C 7 H 5 ) via the gas-phase reaction of tricarbon (C 3 , X 1 Σ g + ) with 1,3-butadiene (C 4 H 6 , X 1 A g ). Crossed molecular beam experiments combined with high-level electronic structures and statistical calculations reveal a rich potential energy surface. The reaction proceeds via tricarbon addition to a double bond of 1,3-butadiene, overcoming a 30 kJ mol –1 barrier, followed by ring closure, isomerizations (ring opening/closures, hydrogen shifts), and eventual hydrogen atom loss, yielding the fulvenallenyl radical (p1) almost exclusively via two dominant pathways. Considering the entrance barrier, this reaction may occur in high-temperature environments, like circumstellar envelopes of carbon stars, but is suppressed in colder regions such as molecular clouds and Titan’s atmosphere. These findings highlight the unexpected reactivity of small carbon clusters in shaping the molecular complexity of our universe, from the flicker of a flame to the death of a star.

Aromatic compounds↗
DOE OSTI2022

Generation of nanosecond THz pulses using a high gain ring resonator with a semiconductor switch

A 250 GHz quasi-optical ring resonator consisting of an input coupler and three mirrors has been designed and tested. A low-loss silicon wafer in the ring provides output coupling of the stored power when irradiated by a pulse from a 532 nm laser. The ring created 5.8 ns, 268 mW output power pulses when excited by a 17 mW, 250 GHz continuously operating input source, achieving a power gain of 16. In a fully tuned ring, higher gain is achievable. If the ring was used with a pulsed input source having a pulse length of several times the fill time, the ring could be used as an efficient pulse compressor with similar high gain. The resonator has a wide range of applications, including, at low power, spectroscopy and, at high power, testing of accelerator structures and materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Drop C: The Drop-In, Ring-of-Power Heliostat (Final Report)

This report summarizes the work performed within the Drop-C: The Drop-In, Ring-of-Power Heliostat project. The Drop-C project aimed to develop a novel heliostat with an installed cost of $\$50$/m 2 ($\$2015$) which is a drastic cost reduction compared to the state-of-the-art. The resulting 27m 2 SunRing TM heliostat’s relative small size necessitates the parallel development of a wireless solar field network and a rapid calibration system. The SunRing heliostat is an evolution of the Ring-of-Power (ROP) design from Abengoa Solar LLC which had a reported installed cost of $114/m 2 . Cost savings relative to the ROP were sought by increasing the mirror area, improving the structural efficiency, a more accurate assessment of wind loads, and an improved assembly and installation procedure. The project spanned three Budget Periods (BP) where a digital heliostat was developed in BP1 using wind tunnel testing to define load conditions.

14 SOLAR ENERGY↗
NASA NTRS1976

Trajectory Traces of Charged Particles in the Magnetosphere

The characteristic enhancements of ring current particles with energies of about 1 to 100 keV, associated with magnetospheric substorms, were observed by Explorer 45 around the plasmapause in the afternoon to midnight region, and showed the characteristic structure called a 'nose' in the proton spectrograms. The motion of these particles in the equatorial magnetosphere, under a recently proposed convection electric field and a dipole magnetic field is described. Approximate equations of a bounce period, a second adiabatic invariant, and a bounce-average azimuthal velocity are given with inaccuracies less than about 0.001 for all pitch angles. The complete set of flow patterns of 90 deg pitch angle particles is also presented by means of stagnation lines through which radial drifts and/or azimuthal drifts change their directions. The particle tracings in the magnetosphere give a basic concept to explain the observed nose characteristics.

Ejiri, M.↗
NASA NTRS1991

Diffusion mechanisms in Ir-coated Re for high-temperature, radiation-cooled rocket thrusters

Materials used for radiation-cooled rocket thrusters must be capable of surviving under extreme conditions of high temperatures and oxidizing environments. Thruster chambers were developed using chemical-vapor-deposited (CVD) Re coated with CVD Ir on the inside surface which is exposed to hot combustion gases. Ir serves as an oxidation barrier protecting the Re which maintains structural integrity at high temperatures. In order to predict and extend the performance limits of these Ir-coated Re thrusters, the diffusion kinetics of CVD materials at temperature are studied. Thruster end ring sections were examined using electron microprobe analysis both before and after exposure to high temperature vacuum environments. The resulting elemental maps for Re, Ir, and Mo in the near-surface region allow identification of diffusion mechanisms operating at these temperatures. Line scans for Ir and Re were fit using a diffusion model to extract relevant diffusion constants. The fastest diffusion process is seen to be grain boundary diffusion with Re diffusing down grain boundaries in the Ir overlayer. The measured dependence of the diffusion rate on temperature will allow prediction of operating lifetimes for these thrusters.

Hamilton, J. C.↗
NASA NTRS1996

Scattering and the Point Spread Function of the New Generation Space Telescope

Preliminary design work on the New Generation Space Telescope (NGST) is currently under way. This telescope is envisioned as a lightweight, deployable Cassegrain reflector with an aperture of 8 meters, and an effective focal length of 80 meters. It is to be folded into a small-diameter package for launch by an Atlas booster, and unfolded in orbit. The primary is to consist of an octagon with a hole at the center, and with eight segments arranged in a flower petal configuration about the octagon. The comers of the petal-shaped segments are to be trimmed so that the package will fit atop the Atlas booster. This mirror, along with its secondary will focus the light from a point source into an image which is spread from a point by diffraction effects, figure errors, and scattering of light from the surface. The distribution of light in the image of a point source is called a point spread function (PSF). The obstruction of the incident light by the secondary mirror and its support structure, the trimmed corners of the petals, and the grooves between the segments all cause the diffraction pattern characterizing an ideal point spread function to be changed, with the trimmed comers causing the rings of the Airy pattern to become broken up, and the linear grooves causing diffraction spikes running radially away from the central spot, or Airy disk. Any figure errors the mirror segments may have, or any errors in aligning the petals with the central octagon will also spread the light out from the ideal point spread function. A point spread function for a mirror the size of the NGST and having an incident wavelength of 900 nm is considered. Most of the light is confined in a circle with a diameter of 0.05 arc seconds. The ring pattern ranges in intensity from 10(exp -2) near the center to 10(exp -6) near the edge of the plotted field, and can be clearly discerned in a log plot of the intensity. The total fraction of the light scattered from this point spread function is called the total integrated scattering (TIS), and the fraction remaining is called the Strehl ratio. The angular distribution of the scattered light is called the angle resolved scattering (ARS), and it shows a strong spike centered on a scattering angle of zero, and a broad , less intense distribution at larger angles. It is this scattered light, and its effect on the point spread function which is the focus of this study.

Schreur, Julian J.↗
NASA NTRS2004

The Origin and Evolution of Deep Plasmaspheric Notches

Deep plasmaspheric notches can extend over more than 2 RE and 3 hours MLT in the magnetic equatorial plane. They can last for days and exhibit varying structure. In this presentation, the low L-shell portion of the recovery-time plasmaspheric convection plume will be explored as the source for these deep evacuations in density. Interactions with the ring current will be explored as the source of features observed in these density depletions.

Gallagher, D.↗
NASA NTRS2004

Formation and Destruction Processes of Interstellar Dust: From Organic Molecules to carbonaceous Grains

The study of the formation and destruction processes of cosmic dust is essential to understand and to quantify the budget of extraterrestrial organic molecules. interstellar dust presents a continuous size distribution from large molecules, radicals and ions to nanometer-sized particles to micron-sized grains. The lower end of the dust size distribution is thought to be responsible for the ubiquitous spectral features that are seen in emission in the IR (UIBs) and in absorption in the visible (DIBs). The higher end of the dust-size distribution is thought to be responsible for the continuum emission plateau that is seen in the IR and for the strong absorption seen in the interstellar UV extinction curve. All these spectral signatures are characteristic of cosmic organic materials that are ubiquitous and present in various forms from gas-phase molecules to solid-state grains. Although dust with all its components plays an important role in the evolution of interstellar chemistry and in the formation of organic molecules, little is known on the formation and destruction processes of dust. Recent space observations in the UV (HST) and in the IR (ISO) help place size constraints on the molecular component of carbonaceous IS dust and indicate that small (ie., subnanometer) PAHs cannot contribute significantly to the IS features in the UV and in the IR. Studies of large molecular and nano-sized IS dust analogs formed from PAH precursors have been performed in our laboratory under conditions that simulate diffuse ISM environments (the particles are cold -100 K vibrational energy, isolated in the gas phase and exposed to a high-energy discharge environment in a cold plasma). The species (molecules, molecular fragments, ions, nanoparticles, etc) formed in the pulsed discharge nozzle (PDN) plasma source are detected with a high-sensitivity cavity ring-down spectrometer (CRDS). We will present new experimental results that indicate that nanoparticles are generated in the plasma. From these unique measurements, we derive information on the nature, the size and the structure of interstellar dust particles, the growth and the destruction processes of IS dust and the resulting budget of extraterrestrial organic molecules.

Salama, F.↗
NASA NTRS2014

Successful Starshade Petal Deployment Tolerance Verification in Support of NASA's Technology Development for Exoplanet Missions

A Starshade is a sunflower-shaped satellite with a large inner disk structure surrounded by petals that flies in formation with a space-borne telescope, creating a deep shadow around the telescope over a broad spectral band to permit nearby exoplanets to be viewed. Removing extraneous starlight before it enters the observatory optics greatly loosens the tolerances on the telescope and instrument that comprise the optical system, but the nature of the Starshade dictates a large deployable structure capable of deploying to a very precise shape. These shape requirements break down into key mechanical requirements, which include the rigid-body position and orientation of each of the petals that ring the periphery of the Starshade. To verify our capability to meet these requirements, we modified an existing flight-like Astromesh reflector, provided by Northrup Grumman, as the base ring to which the petals attach. The integrated system, including 4 of the 30 flight-like subscale petals, truss, connecting spokes and central hub, was deployed tens of times in a flight-like manner using a gravity compensation system. After each deployment, discrete points in prescribed locations covering the petals and truss were measured using a highly-accurate laser tracker system. These measurements were then compared against the mechanical requirements, and the as-measured data shows deployment accuracy well within our milestone requirements and resulting in a contrast ratio consistent with exoplanet detection and characterization.

External occulters↗
NASA NTRS2017

Selection of High Temperature Organic Materials for Future Stirling Convertors

In the future higher temperature Stirling convertors for improved efficiency and performance, various high temperature organic materials have been demanded as essential components for their unique properties and functions such as bonding, potting, sealing, thread locking, insulation, and lubrication. The higher temperature capabilities would also allow current state-of-the-art (SOA) convertors to be used in additional missions, particularly those that require a Venus flyby for a gravity assist. Stirling convertor radioisotope generators have been developed for potential future space applications including Lunar/Mars surface power or a variety of spacecraft and vehicles, especially with a long mission cycle, sometimes up to 17 years, such as deep space exploration. Thus, performance, durability, and reliability of the organics should be critically evaluated in terms of comprehensive structure-process-service environment relations based on the potential mission specifications. The initial efforts in screening the high temperature candidates focused on the most susceptible organics, such as adhesive, potting compound, o-ring, shrink tubing, and thread locker materials in conjunction with commercially available materials. More systematic and practical test methodologies that were developed and optimized based on the extensive organic evaluations and validations performed for various Stirling convertor types were employed to determine thermal stability, outgassing, and material compatibility of the selected organic candidates against their functional requirements. Processing and fabrication conditions and procedures were also optimized. This paper presents results of the three-step candidate evaluation processes, their application limitations, and the final selection recommendations.

Organics↗