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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 1,747 records · Page 97
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Thermal conductivity of vertically aligned carbon nanotube arrays: Growth conditions and tube inhomogeneity

The thermal conductivity of vertically aligned carbon nanotube arrays (VACNTAs) grown on silicon dioxide substrates via chemical vapor deposition is measured using a 3ω technique. For each sample, the VACNTA layer and substrate are pressed to a heating line at varying pressures to extract the sample's thermophysical properties. The nanotubes' structure is observed via transmission electron microscopy and Raman spectroscopy. The presence of hydrogen and water vapor in the fabrication process is tuned to observe the effect on measured thermal properties. The presence of iron catalyst particles within the individual nanotubes prevents the array from achieving the overall thermal conductivity anticipated based on reported measurements of individual nanotubes and the packing density.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Synthesis and structures of new uranyl malonate complexes with carbamide derivatives

Crystals of new malonate-containing uranyl complexes [UO{sub 2}(C{sub 3}H{sub 2}O{sub 4})(Imon)(H{sub 2}O)] (I) and [UO{sub 2}(C{sub 3}H{sub 2}O4)(Meur){sub 3}] (II), where Imon is imidazolidin-2-one (ethylenecarbamide) and Meur is methyl-carbamide, have been synthesized and studied by X-ray diffraction. Both compounds crystallize in the monoclinic system with the following unit-cell parameters (at 100 K): a = 11.1147(10) Å, b = 6.9900(6) Å, c = 14.4934(12) Å, β = 92.042(2)°, V = 1125.30(17) Å{sup 3}, sp. gr. P2{sub 1}/n, Z = 4, R{sub 1} = 0.0398 (I); a = 16.6613(5) Å, b = 9.5635(3) Å, c = 22.9773(6) Å, β = 103.669(2)°, V = 3557.51(18) Å{sup 3}, sp. gr. C2/c, Z = 8, R{sub 1} = 0.0207 (II). The crystals are composed of electroneutral chains [UO{sub 2}(C{sub 3}H{sub 2}O{sub 4})(Imon)(H{sub 2}O)] and mononuclear groups [UO{sub 2}(C{sub 3}H{sub 2}O{sub 4})(Meur){sub 3}] as the structural units belonging to the crystal-chemical groups AT{sup 11}M{sub 2}{sup 1} and AB{sup 01}M{sub 3}{sup 1} (A =UO{sub 2}{sup 2+}, T{sup 11} and B{sup 01} = C{sub 3}H{sub 2}, M{sup 1} = Imon, H{sub 2}O, or Meur), respectively, of uranyl complexes. The packing modes of the uranyl-containing complexes were analyzed by the method of molecular Voronoi—Dirichlet polyhedra.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2019

Inflight Parachute Measurement Challenge

The Purpose of the Inflight Parachute Measurement Challenge is to solicit potential measurement solutions that can result in successful parachute loading assumption validation, along with validation of Fluid-Structure Interaction (FSI) simulations. A parachute system contains many components which see various loading conditions including tension and aerodynamic pressure forces. While measurements can be made in wind tunnels, significant limitations exist as compared to flight testing which include scaling, dynamic pressure time history, and cluster behavior. Traditional flight test instrumentation is difficult due the flexible nature of parachute components, packing requirements, and high forces and chaos during deployment. The Objectives of this challenge are to (1) describe the anatomy and behavior of parachute systems, (2) identify measurements of particular interest to the parachute design and analysis community, (3) identify additional uses of measurements such as FSI validation.

Daum, Jared↗
DOE OSTI2015

Benzene derivatives adsorbed to the Ag(111) surface: Binding sites and electronic structure

Dispersion corrected Density Functional Theory calculations were employed to study the adsorption of benzenes derivatized with functional groups encompassing a large region of the activated/deactivated spectrum to the Ag(111) surface. Benzenes substituted with weak activating or deactivating groups, such as methyl and fluoro, do not have a strong preference for adsorbing to a particular site on the substrate, with the corrugations in the potential energy surface being similar to those of benzene. Strong activating (N(CH{sub 3}){sub 2}) and deactivating (NO{sub 2}) groups, on the other hand, possess a distinct site preference. The nitrogen in the former prefers to lie above a silver atom (top site), but in the latter a hollow hexagonal-closed-packed (H{sub hcp}) site of the Ag(111) surface is favored instead. Benzenes derivatized with classic activating groups donate electron density from their highest occupied molecular orbital to the surface, and those functionalized with deactivating groups withdraw electron density from the surface into orbitals that are unoccupied in the gas phase. For benzenes functionalized with two substituents, the groups that are strongly activating or deactivating control the site preference and the other groups assume sites that are, to a large degree, dictated by their positions on the benzene ring. The relative stabilities of the ortho, meta, and para positional isomers of disubstituted benzenes can, in some cases, be modified by adsorption to the surface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Removing of Core Constructions of the MR and RFT Reactors in NRC 'Kurchatov Institute' - 16054

In frame of the FTP 'Providing nuclear and radiation safety of Russia in 2008 and for the period till 2015' works of a decommissioning of the MR and RFT research reactors are carried out in National Research Center 'Kurchatov Institute'. Within these works, the equipment of 9 loop-back facilities of the MR reactor was dismantled. In the conditions, which are most approached to natural, one researched a heat, hydrodynamic and strength characteristics of elements of cores and the capital equipment of the majority of power reactors at these facilities. In 2014-2015 dismantle of core constructions of the MR reactor was carried out and dismantle of a graphite laying of the RFT reactor is begun. The beryllium blocks, which were constructional elements of the core, and the graphite blocks playing a reactor reflector role were also taken, packed into cases or containers and removed: part on an accumulative platform, and part are placed in storage of high level radioactive waste of the Center for decay and further sending for long storage. Works were performed by remote controlled mechanisms, control of their performance was exercised by means of remote diagnostics: Gammavizor, the scanning spectrometer systems. The following methods and the organizational principles were applied to providing of radiation safety of these works: - the constant radiation control including individual control of a dose of external radiation, control of volume activity of radionuclides in air, annual control of internal radiation doses of the personnel; - dust suppression and fixing of radioactive contamination by dispersion of polymeric structures; - carrying out decontamination on a shift basis rooms with use of detergents; - use of the remote controlled mechanisms equipped with hydraulic scissors, nippers, application of the diamond are sharp that allowed to perform the majority of technological operations remotely, using 'cold' methods of fragmentation; - development on each type of works of the operation project and schedules. As a result, of works of 2011-2014 of the decommissioning of the MR and RFT research reactors more than 630 t of the equipment were dismantled. From them more than 455 t of radioactive waste was. The total activity of radwaste exceeded 300.0 GBq. From the pool of the reactor, about 160 channels of loop-back installations and near 230 beryllium and graphite are taken, fragmented and packed. The total activity on radionuclides {sup 60}Co and {sup 137}Cs of them was near 55 TBq. From the territory of the center about 2550 m{sup 3} of firm and 4600 m{sup 3} of liquid radwaste are removed. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Emission in closely packed Eu (TTA) 3 (DPT) and opportunities for magnetic dipole enhancement

Ultra-thin Langmuir-Blodgett films of amphiphilic complex EuTTA (DPT) with tri-valent Eu ions are highly luminescent even when deposited directly on metal. Emission kinetics obtained in bulk samples and Langmuir-Blodgett films are very different for dense and diluted systems. Here, the experiments indicate a collective emitter behavior in dense systems, which is also sensitive to metal or dielectric environments. In another experiment, using metal-emitter layer-metal structures with EuTTA(DPT) we observe significant modifications of the emission line shapes and a dramatic change in magnetic-to-electric dipole branching ratio with 10-fold relative enhancement of magnetic dipole emission.

Luminescence↗
DOE OSTI2019

Conservation of Atypical Allostery in C. elegans UDP-Glucose Dehydrogenase

Human UDP-glucose dehydrogenase (hUGDH) oxidizes uridine diphosphate (UDP)-glucose to UDP-glucuronic acid, an essential substrate in the phase II metabolism of drugs. The activity of hUGDH is controlled by an atypical allosteric mechanism in which the feedback inhibitor UDP-xylose competes with the substrate for the active site and triggers a buried allosteric switch to produce an inactive complex (E Ω ). Previous comparisons with a nonallosteric UGDH identified six large-to-small substitutions that produce packing defects in the protein core and provide the conformational flexibility necessary for the allosteric transition. Here, we test the hypothesis that these large-to-small substitutions form a motif that can be used to identify allosteric UGDHs. Caenorhabditis elegans UGDH (cUGDH) conserves this motif with the exception of an Ala-to-Pro substitution in position 109. The crystal structures of unliganded and UDP-xylose bound cUGDH show that the A109P substitution is accommodated by an Asn-to-Ser substitution at position 290. Steady-state analysis and sedimentation velocity studies show that the allosteric transition is conserved in cUGDH. The enzyme also exhibits hysteresis in progress curves and negative cooperativity with respect to NAD+ binding. Both of these phenomena are conserved in the human enzyme, which is strong evidence that these represent fundamental features of atypical allostery in UGDH. A phylogenetic analysis of UGDH shows that the atypical allostery motif is ancient and identifies a potential transition point in the evolution of the UGDH family.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Random walks on jammed networks: Spectral properties

Using random walk analyses we explore diffusive transport on networks obtained from contacts between isotropically compressed, monodisperse, frictionless sphere packings generated over a range of pressures in the vicinity of the jamming transition p → 0 . For conductive particles in an insulating medium, conduction is determined by the particle contact network with nodes representing particle centers and edges contacts between particles. The transition rate is not homogeneous, but is distributed inhomogeneously due to the randomness of packing and concomitant disorder of the contact network, e.g., the distribution of the coordination number. A narrow escape time scale is used to write a Markov process for random walks on the particle contact network. This stochastic process is analyzed in terms of spectral density of the random, sparse, Euclidean and real, symmetric, positive, semidefinite transition rate matrix. Findings reveal network structures derived from jammed particles have properties similar to ordered, euclidean lattices but also some unique properties that distinguish them from other structures that are in some sense more homogeneous. Specifically, the distribution of eigenvalues of the transition rate matrix follow a power law with spectral dimension 3. Yet, quantitative details of the statistics of the eigenvectors show subtle differences with homogeneous lattices and allow us to distinguish between topological and geometric sources of disorder in the network.

42 ENGINEERING↗
DOE OSTI2013

X-ray and Synchrotron Diffraction Studies of 2-(Pyridin-2-yl)-1,10- Phenanthroline in the Role of Ligand for Two Copper Polymorphs or Hydrogen bonded with 2,2,6,6-Tetramethyl-4-oxopiperidinium Hexafluorophosphate

Different extended packing motifs of dichloro-[2-(pyridin-2-yl)-1,10-phenanthroline]copper(II), CuCl2 (C17H11N3Cl2) are obtained depending on the crystallization conditions. A triclinic form (I) is obtained from dimethylformamide-diethyl ether or methanol whereas crystallization from dimethylformamide-water yields a monoclinic form (II). In each case, the CuII center is in a 5-coordinate, distorted square-pyramidal geometry. The extended packing for both forms can be described as a highly-offset π stacking arrangement with interlayer distances of 3.674 (3) and 3.679 (3) Å for (I) and (II), respectively. The reaction of diprotonated Pt(tmpip2NCN)Cl (tmpip2NCN = 2,6-bis(2,2,6,6-tetramethylpiperidylmethyl)- benzyl) with AgPF6 under acidic conditions followed by the addition of 2-(pyridin-2-yl)-1,10-phenanthroline, results in a hydrogen bonded co-crystal, 2,2,6,6-tetramethyl-4-oxopiperidinium hexafluorophosphate- 2-(pyridin-2-yl)-1,10-phenanthroline (1/1),C9H18NO+.PF6-.C17H11N3.(III). The extended packing maximizes π-π interactions in a parallel, faceto-face arrangement with an interlayer stacking distance of 3.4960 (14) Å.

copper complexes↗
DOE OSTI2012

Structural originations of irreversible capacity loss from highly lithiated copper oxides

We use electrochemistry, high-energy X-ray diffraction (XRD) with pair-distribution function analysis (PDF), and density functional theory (DFT) to study the instabilities of Li{sub 2}CuO{sub 2} at varying state of charge. Rietveld refinement of XRD patterns revealed phase evolution from pure Li{sub 2}CuO{sub 2} body-centered orthorhombic (Immm) space group to multiphase compositions after cycling. The PDF showed CuO{sub 4} square chains with varying packing during electrochemical cycling. Peaks in the G(r) at the Cu-O distance for delithiated, LiCuO{sub 2}, showed CuO{sub 4} square chains with reduced ionic radius for Cu in the 3+ state. At full depth of discharge to 1.5 V, CuO was observed in fractions greater than the initial impurity level which strongly affects the reversibility of the lithiation reactions contributing to capacity loss. DFT calculations showed electron removal from Cu and O during delithiation of Li{sub 2}CuO{sub 2}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

BH-DFTB/DFT calculations for iron clusters

We present a study on the structural, electronic, and magnetic properties of Fe{sub n}(n = 2 − 20) clusters by performing density functional tight binding (DFTB) calculations within a basin hopping (BH) global optimization search followed by density functional theory (DFT) investigations. The structures, total energies and total spin magnetic moments are calculated and compared with previously reported theoretical and experimental results. Two basis sets SDD with ECP and 6-31G** are employed in the DFT calculations together with BLYP GGA exchange-correlation functional. The results indicate that the offered BH-DFTB/DFT strategy collects all the global minima of which different minima have been reported in the previous studies by different groups. Small Fe clusters have three kinds of packing; icosahedral (Fe{sub 9−13}), centered hexagonal antiprism (Fe{sub 14−17}, Fe{sub 20}), and truncated decahedral (Fe{sub 17(2)}, Fe{sub 18−19}). It is obtained in a qualitative agreement with the time of flight mass spectra that the magic numbers for the small Fe clusters are 7, 13, 15, and 19 and with the collision induced dissociation experiments that the sizes 6, 7, 13, 15, and 19 are thermodynamically more stable than their neighboring sizes. The spin magnetic moment per atom of Fe{sub n}(n = 2 − 20) clusters is between 2.4 and 3.6 μ{sub B} for the most of the sizes. The antiferromagnetic coupling between the central and the surface atoms of the Fe{sub 13} icosahedron, which have already been reported by experimental and theoretical studies, is verified by our calculations as well. The quantitative disagreements between the calculations and measurements of the magnetic moments of the individual sizes are still to be resolved.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Properties of Poly- and Oligopentacenes Synthesized from Modular Building Blocks

Here, we describe a facile route to well-defined, solution-processable pentacene oligomers (2 to 7) and homopolymer using Suzuki–Miyaura cross-coupling reactions. This synthetic strategy leads to regioisomers, regiopure syn- and anti-trimers were also synthesized, revealing minimal changes in solution properties but significant changes in the solid state arising from differing levels of crystallinity. The materials were characterized by steady state absorption spectroscopy and cyclic voltammetry to study their electronic structure. The steady state absorption spectra exhibit a new high-energy transition in the oligomers, which intensifies as a function of oligomer length, thus increasing the range of absorption to include the entire visible spectrum. Density functional theory calculations indicate that the new peak results directly from the oligomerization. Solid state UV–vis suggests that while the monomer is amorphous, bricklayer packing in the higher oligomers significantly alters the solid state absorption relative to solution. The effect of oligomerization on packing was corroborated by GIWAXS analysis, which revealed crystalline domains in the oligomers. These domains, which are most evident in anti-trimer, become more pronounced upon thermal annealing. Photodegradation studies revealed considerable stability enhancement of oligomers toward oxygen and cycloaddition reactions relative to monomer. The synthesis and characterization of the first higher oligomers and homopolymer of pentacene should pave the way to applications in singlet fission, organic field-effect transistors, and organic photovoltaics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Data-driven electron-diffraction approach reveals local short-range ordering in CrCoNi with ordering effects

Abstract The exceptional mechanical strength of medium/high-entropy alloys has been attributed to hardening in random solid solutions. Here, we evidence non-random chemical mixing in a CrCoNi alloy, resulting from short-range ordering. A data-mining approach of electron nanodiffraction enabled the study, which is assisted by neutron scattering, atom probe tomography, and diffraction simulation using first-principles theory models. Two samples, one homogenized and one heat-treated, are observed. In both samples, results reveal two types of short-range-order inside nanoclusters that minimize the Cr–Cr nearest neighbors (L1 2 ) or segregate Cr on alternating close-packed planes (L1 1 ). The L1 1 is predominant in the homogenized sample, while the L1 2 formation is promoted by heat-treatment, with the latter being accompanied by a dramatic change in dislocation-slip behavior. These findings uncover short-range order and the resulted chemical heterogeneities behind the mechanical strength in CrCoNi, providing general opportunities for atomistic-structure study in concentrated alloys for the design of strong and ductile materials.

36 MATERIALS SCIENCE↗
NASA NTRS1981

Adjacent channel interference degradation with minimum shift keyed modulation

Computer simulation results for degradation in signal-to-noise ratio for various values of bit error probability are given for minimum shift-keyed-type signaling in the presence of adjacent channel interference. A serial modulator structure which utilizes spectral shaping is characterized in terms of envelope deviation and bandwidth efficiency. This serial generation technique is convenient for implementation at high data rates and results in signal spectra with lower sidelobe levels than conventional minimum shift-keyed modulation at the expense of moderate envelope deviation. Because of the lower sidelobe levels, the resulting spectra allow denser channel packing than does ideal MSK.

Ziemer, R. E.↗
NASA NTRS2000

Towards Development of Microcalorimeter Arrays of Mo/Au Transition-Edge Sensors with Bismuth Absorbers

We report on our progress towards the development of arrays of X-ray microcalorimeters as candidates for the high resolution x-ray spectrometer on the Constellation-X mission. The microcalorimeter arrays (30 x 30) with appropriate pixel sizes (0.25 mm. x 0.25 mm) and high packing fractions (greater than 96%) are being developed. Each individual pixel has a 10 micron thick Bi X-ray absorber that is shaped like a mushroom to increase the packing fraction, and a Mo/Au proximity effect superconducting transition edge sensor (TES). These are deposited on a 0.25 or 0.5 micron thick silicon nitride membrane with slits to provide a controllable weak thermal link to the sink temperature. Studies are underway to model, test and optimize the TES pixel uniformity, critical current, heat capacity and the membrane thermal conductance in the array structure. Fabrication issues and procedures, and results of our efforts based on these optimizations will be provided.

Tralshawala, Nilesh↗
NASA NTRS1976

Collapsible Towers

NASA needed a means of orbiting a large radio telescope antenna. Astro Research Corporation developed a new structure that was strong, lightweight, folded into a small storage space, and could be erected by rotation. Later they adapted it to commercial use. Today the "Astromast" tower consists of tubular aluminum alloy and stainless steel members that deploy into small three-sided bays, each made rigid by six diagonal cables. All joints are flexible to permit folding and unfolding. Tower packs into container 5% of its height, can be erected without tools and is reusable. Tower has won "Design of the Year" award from Machine Design. Variations include portable emergency bridges and commercial scaffolding.

Source record↗
DOE OSTI2016

Packed Bed thermal storage for compact Light water-cooled Small Modular Reactors

Nuclear power plants (NPPs) have less flexibility to follow grid load demand than their natural-gas fueled counterparts. Most of the natural-gas power plants can supply peak-loads by adding more fuel, and thus, can generate far more revenue during those peak hours. On the other hand, use of NPPs for peak load following is quite complex due to technical constraints associated with reactor behavior. These technical challenges include the adequate handling of reactivity swings caused by time-varying fuel and moderator temperatures, a higher fuel-failure probability due to thermal-structural cycling, and spatial variations in xenon concentration. Although there are presently some reactors around the world that are operating with flexible load-following capabilities, such operation is restricted to slowly-varying powers, 2-3 times a day, and only up to 80% of the fuel cycle. Thus, a more convenient and effective method to facilitate load following by NPPs would be to integrate energy storage Authors have previously developed models and performed exergy analysis for integrating liquid type TES with LWRs and SMRs. These exergy based models show that technical feasibility index of integrating thermal energy storage is very high. But most of these previous studies include integration based on existing layout of NPPs with heat exchange between storage Heat Transfer Fluid (HTF) and Reactor Coolant (RC). However, most of the Light Water-cooled Small modular reactor (LW-SMR) based NPP designs can not accommodate additional heat exchange equipment. Although power production is only reduced to 1/20 scale, the containment volume in thus NuScale LW-SMR is reduced to {approx} 1/170 scale. As steam is the secondary or working fluid which exits out of the reactor containment in LW-SMRs, the simplest and most practical way to integrate thermal storage with LW-SMRs is to directly store the energy from steam. Indirect heat exchange between steam and another heat transfer fluid during the storage process, and then heat recovery again via indirect heat exchange is inefficient process due to heat transfer resistance. This inefficiency is due to what is called as 'Pinch point' which occurs whenever there is indirect heat transfer between two media where one undergoes phase change and other undergoes change in sensible heat. Another existing popular option is to use a steam accumulator which stores dry or wet steam directly inside the pressure vessels, however, due to large volumetric requirements it is not a viable option. This work proposes a new method of integrating packed bed TES systems with LW-SMRs, where steam produced in the secondary side of LW-SMRs can be injected into the packed bed of inert particles with sufficient thermal conductivity and capacity to efficiently store energy with high energy density. The changes in the load demand will not effect the LWSMR operation and the excess steam will be diverted to TES. When the demand increases this stored energy in hot packed beds can be recovered by injecting cold pressurized water. Although there are some existing packed bed TES designs and models which consider steam as HTFs, these models have not been extended for wide range of process parameters important for this integration. Authors have previously developed a packed bed thermal model for steam injection and validated it using experimental data. This thermal model is extended to assess behavior of packed bed thermal energy storage (TES) system under storage and recovery cycles. Steam is the only heat transfer fluid (HTF) which exits the reactor vessel, so any application such as process heat or TES integration should be evaluated with steam as process fluid. This project will develop a process system integration model of LW-SMR with packed bed type TES using steam as HTF. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗