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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS1982

Vibration and buckling studies of pretensioned structures

Results of analyses and tests of a simple pretensional structure are presented. Linear finite element analysis correlated well with experimental small amplitude vibration data. The buckling and vibration behavior of a pretensional stayed column was studied in detail. The bifurcation buckling load was also predicted accurately. Postbuckling behavior of the column was unusual and results in a post buckling restoring force of only 1/64 the bifurcation buckling load. Interaction between lateral accelerations and compressive load creates isolated stay slackening at loads above 50 percent of the buckling load. Further research will be required to fully understand their impact on the use of pretensioned structures as large space structures.

Belvin, W. K.↗
DOE OSTI2019

Basin-wide gradients in dolomite d26Mg and 87Sr/86Sr identify the structural centre of the Williston Basin as a source of magnesium for dolomitization of the Middle Devonian Winnipegosis Formation

Dolomitized carbonates in the Williston Basin are common below the Middle Devonian Prairie Evaporite Formation, indicating a plausible role for brine-reflux as the source of Mg for dolomitization. However, the Lower Member Winnipegosis Formation, which directly underlies the evaporite sequence, exhibits dolomite 87Sr/86Sr ratios that are higher than expected for Middle Devonian seawater, instead suggesting that the dolomitizing fluids ascended from the deep basin where present-day formation waters are known to be more radiogenic. This interpretation is supported in this study by Mg isotope data showing a basin-scale gradient of increasing d26Mg values from the deep center (–2.03‰) to the edge (–1.34‰) of the Williston Basin along the lower Member Winnipegosis bed. Dolomite favors light isotopes of Mg when it forms, thus driving dolomitizing solutions, and the produced dolomite, towards heavier isotopic compositions in the direction of fluid flow. However, dolomite is also Mg-deficient when it forms, and its initial Mg isotope composition is susceptible to alteration by fluid-rock interactions occurring later in the depositional history of the deposit. We argue that the Mg isotope gradient in the Lower Member Winnipegosis was created by an ascending flow of isotopically light Mg-bearing fluid that differentially altered an earlier formed brine-reflux dolomite, with more alteration occurring deeper in the basin and less towards to edges. Alteration of pre-existing dolomite by an Mg isotope exchange mechanism requires large supplies of Mg. This fact, and the direction of fluid flow point to the underlying crystalline basement as an important Mg source for dolomitization in the Williston Basin. We speculate that ultramafic rocks supplied the Mg when they were hydrothermally altered during an anomalous heating event that affected the Williston Basin in the Late Devonian / Early Carboniferous. Seismic pumping drove these fluids upwards through fracture networks in the crust, and eventually into the deep center of the Williston Basin along vertically-oriented down-to-the-basement faults, pressuring deep aquifers like the Winnipegosis, which resulted in fluids migrating up the stratigraphic dip of the beds towards the edges of the basin. Plotting and contouring the dolomite d26Mg data on a map of the Williston Basin reveals the pathways taken by the migrating fluids. One prominent pathway extending outwards from the center of the basin towards the northeast bears a strong resemblance to petroleum migration fairways deduced for the underlying Late Ordovician Red River Formation. This study demonstrates that Mg isotopic mapping of large dolomite bodies is a useful tool for deciphering fluid flow histories in sedimentary basins and may assist in locating migrated petroleum and Mississippi Valley Type ore deposits.

Magnesium Isotopes, Strontium Isotopes, Dolomitiza↗
DOE OSTI2015

Atomistic mechanisms for bilayer growth of graphene on metal substrates

Epitaxial growth on metal substrates has been shown to be the most powerful approach in producing large-scale high-quality monolayer graphene, yet it remains a major challenge to realize uniform bilayer graphene growth. Here we carry out a comparative study of the atomistic mechanisms for bilayer graphene growth on the (111) surfaces of Cu and Ni, using multiscale approaches combining first-principles calculations and rate-equation analysis. We first show that the relatively weak graphene-Cu interaction enhances the lateral diffusion and effective nucleation of C atoms underneath the graphene island, thereby making it more feasible to grow bilayer graphene on Cu. In contrast, the stronger graphene-Ni interaction suppresses the lateral mobility and dimerization of C atoms underneath the graphene, making it unlikely to achieve controlled growth of bilayer graphene on Ni. We then determine the critical graphene size beyond which nucleation of the second layer will take place. Intriguingly, the critical size exhibits an effective inverse "Ehrlich-Schwoebel barrier" effect, becoming smaller for faster C migration from the Cu surface to the graphene-Cu interface sites across the graphene edge. Lastly, these findings allow us to propose a novel alternating growth scheme to realize mass production of bilayer graphene.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Organic molecules deposited on graphene: A computational investigation of self-assembly and electronic structure

We use ab initio simulations to investigate the adsorption and the self-assembly processes of tetracyanoquinodimethane (TCNQ), tetrafluoro-tetracyanoquinodimethane (F4-TCNQ), and tetrasodium 1,3,6,8-pyrenetetrasulfonic acid (TPA) on the graphene surface. We find that there are no chemical bonds at the molecule–graphene interface, even at the presence of grain boundaries on the graphene surface. The molecules bond to graphene through van der Waals interactions. In addition to the molecule–graphene interaction, we performed a detailed study of the role played by the (lateral) molecule–molecule interaction in the formation of the, experimentally verified, self-assembled layers of TCNQ and TPA on graphene. Regarding the electronic properties, we calculate the electronic charge transfer from the graphene sheet to the TCNQ and F4-TCNQ molecules, leading to a p-doping of graphene. Meanwhile, such charge transfer is reduced by an order of magnitude for TPA molecules on graphene. In this case, it is not expected a significant doping process upon the formation of self-assembled layer of TPA molecules on the graphene sheet.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2001

An Analytical Model for Non-Uniform Magnetic Field Effects on Two-Dimensional Laminar Jet Diffusion Flames

In 1846, Michael Faraday found that permanent magnets could cause candle flames to deform into equatorial disks. He believed that the change in flame shape was caused by the presence of charged particles within the flames interacting with the magnetic fields. Later researchers found that the interaction between the flame ions and the magnetic fields were much too small to cause the flame deflection. Through a force analysis, von Engel and Cozens showed that the change in the flame shape could be attributed to the diamagnetic flame gases in the paramagnetic atmosphere. Paramagnetism occurs in materials composed of atoms with permanent magnetic dipole moments. In the presence of magnetic field gradients, the atoms align with the magnetic field and are drawn into the direction of increasing magnetic field. Diamagnetism occurs when atoms have no net magnetic dipole moment. In the presence of magnetic gradient fields, diamagnetic substances are repelled towards areas of decreasing magnetism. Oxygen is an example of a paramagnetic substance. Nitrogen, carbon monoxide and dioxide, and most hydrocarbon fuels are examples of diamagnetic substances. In order to evaluate the usefulness of these magnets in altering flame behavior, a study has been undertaken to develop an analytical model to describe the change in the flame length of a laminar diffusion jet in the presence of a nonuniform magnetic field.

Calvert, M. E.↗
DOE OSTI2021

The importance of Noether's theorem for the way we think today

In the summer of 1918, German mathematician Emmy Noether published the two-part theorem that now bears her name, establishing profound connections between symmetries and conservation laws and between symmetries and interactions. These insights exert a pervasive influence in physics; they give meaning to conservation laws that elevates them beyond useful empirical rules, and they underlie all our theories of the fundamental interactions. In Noether's later career, her papers, lectures, and personal interactions with students and colleagues drove the development of abstract algebra, establishing her in the pantheon of twentieth-century mathematicians.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Colloidal Nanoparticle Interaction Transition during Solvent Evaporation Investigated by in-Situ Small-Angle X-ray Scattering

We performed in-situ scanning small-angle X-ray scattering (SAXS) experiments in order to probe the,drying of a single suspended droplet of silica colloids. It has been demonstrated that the formation of a nanoparticle shell during drying can be confirmed just by measuring the temporal evolution of the spatial transmission profile across the drying droplet. We observed that the shrinkage of the droplet stops once the shell is formed. The temporal dependence Of the shell thickness and droplet radius has been estimated by quautitative analysis of the functionality of the transmission profiles. It is' revealed that the position of the correlation peak originating from interactions between silica nanoparticles evolves linearly during the initial stage of drying and exhibits sigmoidal growth behavior in later stages. The interaction between colloidal particles, in different drying stages has been investigated We provide,experimental confirmation of the transition from repulsive interaction to a capillary driven short-range,attraction,during shell formation. Finally, the present work demonstrates that in situ scanning SAXS on,a suspended droplet is an invaluable technique for monitoring the dynamic self organization of colloids as it probes the drying of complex,fluids without the interference of a substrate.

36 MATERIALS SCIENCE↗
NASA NTRS2003

Derivation of the Data Reduction Equations for the Calibration of the Six-component Thrust Stand in the CE-22 Advanced Nozzle Test Facility

This paper documents the derivation of the data reduction equations for the calibration of the six-component thrust stand located in the CE-22 Advanced Nozzle Test Facility. The purpose of the calibration is to determine the first-order interactions between the axial, lateral, and vertical load cells (second-order interactions are assumed to be negligible). In an ideal system, the measurements made by the thrust stand along the three coordinate axes should be independent. For example, when a test article applies an axial force on the thrust stand, the axial load cells should measure the full magnitude of the force, while the off-axis load cells (lateral and vertical) should read zero. Likewise, if a lateral force is applied, the lateral load cells should measure the entire force, while the axial and vertical load cells should read zero. However, in real-world systems, there may be interactions between the load cells. Through proper design of the thrust stand, these interactions can be minimized, but are hard to eliminate entirely. Therefore, the purpose of the thrust stand calibration is to account for these interactions, so that necessary corrections can be made during testing. These corrections can be expressed in the form of an interaction matrix, and this paper shows the derivation of the equations used to obtain the coefficients in this matrix.

Wong, Kin C.↗
DOE OSTI2024

Competing Intermolecular and Molecule–Surface Interactions: Dipole–Dipole-Driven Patterns in Mixed Carborane Self-Assembled Monolayers

Carboranedithiol isomers adsorbing with opposite orientations of their dipoles on surfaces are self-assembled together to form mixed monolayers where both lateral dipole–dipole and lateral thiol–thiolate (S–H···S) interactions provide enhanced stability over single-component monolayers. Here, we demonstrate the first instance of the ability to map individual isomers in a mixed monolayer using the model system carboranedithiols on Au{111}. The addition of methyl groups to one isomer provides both an enhanced dipole moment and extra apparent height for differentiation via scanning tunneling microscopy (STM). Associated computational investigations rationalize favorable interactions of mixed pairs and the associated stability changes that arise from these interactions. Both STM images and Monte Carlo simulations yield similarly structured mixed monolayers, where approximately 10% of the molecules have reversed dipole moment orientations but no direct chemical attachment to the surface, leading to homogeneous monolayers with no apparent phase separation. Deprotonating the thiols by depositing the molecules under basic conditions eliminates the lateral S–H···S interactions while accentuating the dipole–dipole forces. The molecular system investigated is composed of isomeric molecules with opposite orientations of dipoles and identical surface packing, which enables the mapping of individual molecules within the mixed monolayers and enables analyses of the contributions of the relatively weak lateral interactions to the overall stability of the assemblies.

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

Ambidextrous Helical Nanotubes from Self-Assembly of Designed Helical Hairpin Motifs

Tandem repeat proteins exhibit native designability and represent potentially useful scaffolds for the construction of synthetic biomimetic assemblies. We have designed two synthetic peptides, HEAT R1 and LRV M3Δ1, based on the consensus sequences of single repeats of thermophilic HEAT (PBS HEAT) and Leucine- Rich Variant (LRV) structural motifs, respectively. Self-assembly of the peptides afforded high aspect-ratio helical helical nanotubes. Cryo-electron microscopy with direct electron detection was employed to analyze the structures of the solvated filaments. Three dimensional reconstructions from the cryo-EM maps led to atomic models for the HEAT R1 and LRV M3Δ1 filaments at resolutions of 6.0 Å and 4.4 Å, respectively. Surprisingly, despite sequence similarity at the lateral packing interface, HEAT R1 and LRV M3Δ1 filaments adopt the opposite helical hand and differ significantly in helical geometry, while retaining a local conformation similar to previously characterized repeat proteins of the same class. The differences in the two filaments could be rationalized on the basis of differences in cohesive interactions at the lateral and axial interfaces. These structural data reinforce previous observations regarding the structural plasticity of helical protein assemblies and the need for high resolution structural analysis. Despite these observations, the native designability of tandem repeat proteins offers the opportunity to engineer novel helical nanotubes. Furthermore, the resultant nanotubes have independently addressable and chemically distinguishable interior and exterior surfaces that would facilitate applications in selective recognition, transport, and release.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1974

Apollo lunar descent guidance

Apollo lunar-descent guidance transfers the Lunar Module from a near-circular orbit to touchdown, traversing a 17 deg central angle and a 15 km altitude in 11 min. A group of interactive programs in an onboard computer guide the descent, controlling altitude and the descent propulsion system throttle. A ground-based program pre-computes guidance targets. The concepts involved in this guidance are described. Explicit and implicit guidance are discussed, guidance equations are derived, and the earlier Apollo explicit equation is shown to be an inferior special case of the later implicit equation. Interactive guidance, by which the two-man crew selects a landing site in favorable terrain and directs the trajectory there, is discussed. Interactive terminal-descent guidance enables the crew to control the essentially vertical descent rate in order to land in minimum time with safe contact speed. The altitude maneuver routine uses concepts that make gimbal lock inherently impossible.

Klumpp, A. R.↗
DOE OSTI2014

Hubble space telescope observations and geometric models of compact multipolar planetary nebulae

We report high angular resolution Hubble Space Telescope observations of 10 compact planetary nebulae (PNs). Many interesting internal structures, including multipolar lobes, arcs, two-dimensional rings, tori, and halos, are revealed for the first time. These results suggest that multipolar structures are common among PNs, and these structures develop early in their evolution. From three-dimensional geometric models, we have determined the intrinsic dimensions of the lobes. Assuming the lobes are the result of interactions between later-developed fast winds and previously ejected asymptotic giant branch winds, the geometric structures of these PNs suggest that there are multiple phases of fast winds separated by temporal variations and/or directional changes. A scenario of evolution from lobe-dominated to cavity-dominated stages is presented. The results reported here will provide serious constraints on any dynamical models of PNs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Thickness-dependent energetics for Pb adatoms on low-index Pb nanofilm surfaces: First-principles calculations

Adsorption, interaction, and diffusion of adatoms on surfaces control growth and relaxation of epitaxial nanostructures and nanofilms. Previous reports of key diffusion barriers for Pb diffusion on low-index Pb surfaces are limited in scope and accuracy. Thus, we apply density functional theory (DFT) to calculate the adsorption and diffusion energetics for a Pb adatom on Pb(111), Pb(100), and Pb(110) nanofilms with different thicknesses. We find that these quantities exhibit damped oscillatory variation with increasing film thickness. For Pb(111) films, energetics along the minimum energy path for Pb adatom diffusion between adjacent fcc and hcp sites varies significantly with film thickness, its form differing from other metal-on-metal(111) systems. For Pb(111) and Pb(100) nanofilms, diffusion barriers obtained for both adatom hopping and exchange mechanism differ significantly from previous DFT results. Hopping is favored over exchange for Pb(111), and the opposite applies for Pb(100). For Pb(110) nanofilms, Pb adatom hopping over an in-channel bridge is most facile, then in-channel exchange, then cross-channel exchange, with cross-channel hopping least favorable. We also assess lateral Pb adatom interactions, and characterize island nucleation during deposition on Pb(111).

36 MATERIALS SCIENCE↗
DOE OSTI2017

Using 81 Kr and noble gases to characterize and date groundwater and brines in the Baltic Artesian Basin on the one-million-year timescale

Analyses for 81 Kr and noble gases on groundwater from the deepest aquifer system of the Baltic Artesian Basin (BAB) were performed to determine groundwater ages and uncover the flow dynamics of the system on a timescale of several hundred thousand years. We find that the system is controlled by mixing of three distinct water masses: Interglacial or recent meteoric water (δ 18 O ≈ –10.4‰) with a poorly evolved chemical and noble gas signature, glacial meltwater (δ 18 O ≤ –18‰) with elevated noble gas concentrations, and an old, high-salinity brine component (δ 18 O ≥ –4.5‰, ≥ 90 g Cl – /L) with strongly depleted atmospheric noble gas concentrations. The 81 Kr measurements are interpreted within this mixing framework to estimate the age of the end-members. Deconvoluted 81 Kr ages range from 300 ka to 1.3 Ma for interglacial or recent meteoric water and glacial meltwater. For the brine component, ages exceed the dating range of the ATTA-3 instrument of 1.3 Ma. The radiogenic noble gas components 4 He* and 40 Ar* are less conclusive but also support an age of > 1 Ma for the brine. Based on the chemical and noble gas concentrations and the dating results, we conclude that the brine originates from evaporated seawater that has been modified by later water–rock interaction. Furthermore, as the obtained tracer ages cover several glacial cycles, we discuss the impact of the glacial cycles on flow patterns in the studied aquifer system.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Intrinsic selectivity and structure sensitivity of Rhodium catalysts for C 2+ oxygenate production [On the intrinsic selectivity and structure sensitivity of Rhodium catalysts for C 2+ oxygenate production]

Synthesis gas (CO + H 2 ) conversion is a promising route to converting coal, natural gas, or biomass into synthetic liquid fuels. Rhodium has long been studied as it is the only elemental catalyst that has demonstrated selectivity to ethanol and other C 2+ oxygenates. However, the fundamentals of syngas conversion over rhodium are still debated. In this work a microkinetic model is developed for conversion of CO and H 2 into methane, ethanol, and acetaldehyde on the Rh (211) and (111) surfaces, chosen to describe steps and close-packed facets on catalyst particles. The model is based on DFT calculations using the BEEF-vdW functional. The mean-field kinetic model includes lateral adsorbate–adsorbate interactions, and the BEEF-vdW error estimation ensemble is used to propagate error from the DFT calculations to the predicted rates. The model shows the Rh(211) surface to be ~6 orders of magnitude more active than the Rh(111) surface, but highly selective toward methane, while the Rh(111) surface is intrinsically selective toward acetaldehyde. A variety of Rh/SiO 2 catalysts are synthesized, tested for catalytic oxygenate production, and characterized using TEM. The experimental results indicate that the Rh(111) surface is intrinsically selective toward acetaldehyde, and a strong inverse correlation between catalytic activity and oxygenate selectivity is observed. Furthermore, iron impurities are shown to play a key role in modulating the selectivity of Rh/SiO 2 catalysts toward ethanol. The experimental observations are consistent with the structure-sensitivity predicted from theory. As a result, this work provides an improved atomic-scale understanding and new insight into the mechanism, active site, and intrinsic selectivity of syngas conversion over rhodium catalysts and may also guide rational design of alloy catalysts made from more abundant elements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Spontaneous chiral resolution in two-dimensional systems of patchy particles

Short ranged potentials and their anisotropy produce spontaneous chiral resolution in a two dimensional model of patchy particles introduced in this paper. This model could represent an equimolar binary mixture (racemic mixture) of two kinds of chiral molecules (enantiomers) adsorbed to a bi-dimensional domain where only lateral short ranged interactions are present. Most racemic mixtures undergo chiral resolution due to their spatial anisotropy, the combined effect of long range forces and the thermodynamic conditions. The patchy particles are modeled as a hard disk and four different bonding sites located to produce chirality. Phase behavior and structural properties are analysed using Discontinuous Molecular Dynamics in the canonical ensemble. When the four patchy particles are separated by the angles (60°, 120°, 60°, 120°), spontaneous chiral resolution is produced, given by the formation of homochiral clusters, if started from the corresponding racemic mixture. Gel behavior is also obtained in all the systems for low temperatures and low densities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Efficient neutron production from sub-nanosecond laser pulse accelerating deuterons on target front side

Neutron-producing experiments have been carried out on the Prague Asterix Laser System. At the fundamental wavelength of 1.315 μm, the laser pulse of a 600 J energy and 300 ps duration was focused on a thick deuterated-polyethylene target. Neutron yields reached (4.1 ± 0.8) × 10{sup 8} at the peak intensity of ≈3 × 10{sup 16 }W/cm{sup 2}. A more detailed analysis of neutron time-of-flight signals showed that a significant fraction of neutron yields was produced both by the {sup 2}H(d,n){sup 3}He reaction and by other neutron-producing reactions. Neutron energies together with delayed neutron and gamma emission showed that MeV deuterons escaped from a laser-produced plasma and interacted ≈50 ns later with a borosilicate blast-shield glass. In order to increase DD neutron yields and to characterize deuteron beams via nuclear reactions, a secondary deuterated polyethylene target was used in a pitcher-catcher scheme at the target front side. In this experimental arrangement, the neutron yield reached (2.0 ± 0.5) × 10{sup 9} with the peak neutron fluence of (2.5 ± 0.5) × 10{sup 8 }n/sr. From the neutron yield, it was calculated that the secondary target was bombarded by 2 × 10{sup 14} deuterons in the 0.5–2.0 MeV energy range. The neutron yield of 2 × 10{sup 9} at the laser energy of 600 J implied the production efficiency of 3 × 10{sup 6 }n/J. A very important result is that the efficient neutron production was achieved with the low contrast, sub-nanosecond laser pulse of the intensity of 10{sup 16 }W/cm{sup 2}. The latter parameters can be achieved in a rep-rate mode more easily than ultra-high intensities and contrasts.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗