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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 1,549 records · Page 86
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Residual waste detection in HLW tanks - 15701

This research uses commercial sonar technology to monitor residual waste in the U.S. Department of Energy's (DOE) Hanford Site high-level-waste staging tanks, with primary focus on the detection and imaging of the settled solids at specified areas of interest along the tank surface within a limited amount of time. High-level waste (HLW) is generated at the US-DOE Hanford Site as a by-product from the processing of nuclear materials. Waste is currently stored in 177 underground carbon-steel waste tanks. Pulse jet mixers (PJM) are often used to break loose and suspend the solids that have settled at the bottom of the tanks. A typical tank can have 6-8 pulse tubes. The Solid Liquid Interface Monitor (SLIM) must be capable of measuring dynamic movements in Region 1 zone between each PJM cycle. SLIM was originally developed to map the sludge/supernate interface within the U.S. DOE Hanford Site's HLW tanks. SLIM is a dual-axis mechanically rotating sonar and consists of an acoustic transducer, rotation motor with gearbox, tilt motor, position reference sensor, and pressure balancing mechanisms and its associated deployment platform. The sonar gathers a swath of data in the horizontal plane and rotates the transducer through a programmed angle around the vertical axis. Oil-filled device. No user serviceable parts. No semiconductors. Hard anodized aluminum and polyurethane delrin. May be deployed in areas of significant radioactivity. Kaolin will be used during mixing operations in order to simulate the physical properties of the expected slurry. In order to reduce the amount of time needed to image and object, all settings were decreased to their minimal state. The low resolution settings provide insufficient data for the manufacturer's 3D profiler to compile a visible point cloud and much less to allow the meshing algorithm to work properly. Several filtering algorithms have been applied to each scan in order to remove erroneous spikes and ghosting effects. Data has been collected for the mixing process of kaolin. This data consists of scans executed while the pump was active and inactive. The imaging algorithm has also been used with data derived from scans of 3% or less of kaolin. Future work: Mixing of kaolin within an experimental tank will be conducted in order to simulate the settling time of the HLW within the tank. The same filtering algorithms will be applied to each of these scans to evaluate the SLIM's efficiency to image solids at the bottom of a tank through increasing volume of kaolin.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1973

Solid motor aft closure insulation erosion

The erosion rate of aft closure insulation in a number of large solid propellant motors was empirically analyzed by correlating the average ablation rate with a number of variables that had previously been demonstrated to affect heat flux. The main correlating parameter was a heat flux based on the simplified Bartz heat transfer coefficient corrected for two-dimensional effects. A multiplying group contained terms related to port-to-throat ratio, local wall angle, grain geometry and nozzle cant angle. The resulting equation gave a good correlation and is a useful design tool.

Stampfl, E.↗
NASA NTRS1985

Solid Rocket Motor Case (SRMC) dynamic sensitivity to changes in composite properties

Traditional composite lamination theory was used to compute the constitutive matrices using a potential range of lamina properties. Sensitivity of vibrational frequencies was examined for variations in constituent materials and geometric properties. The material component interactions examined were the lamina longitudinal and transverse Young's modulus, the lamina Poisson's ratio, and the shear modulus. Fiber and resin properties were related to the frequency response through lamina properties. Geometric properties examined are void ratio and helical wind angle. Capabilities and applications of the SPAR and NASTRAN computer codes are examined for laminated cylindrical shells.

Tolbert, R. N.↗
DOE OSTI2026

Orientation-tunable local crystallization of Si films enabled by atomic imprint crystallization

Here, in this paper, we demonstrate area-selective crystallization of amorphous Si into tunable crystal orientations enabled by atomic imprint crystallization (AIC), where an amorphous Si layer is crystallized by solid phase epitaxy (SPE) from an externally impressed single-crystalline Si template. Using micro-patterned single-crystalline Si templates, a limited area of an amorphous Si film, where the film surface and patterned template surface are in contact, is crystallized via SPE to create an array of crystallographically aligned dots embedded in amorphous matrix. Combining AIC from the top surface and conventional SPE from the substrate, we demonstrate the fabrication of an array of crystalline dots embedded in single-crystalline matrix with tunable in-plane rotation angle. The results indicate the high tunability of the crystallization process enabled by AIC, allowing precise control of crystallographic properties of thin films with area-selectivity; such capability opens opportunities for the design of new materials for a wide range of applications in materials science.

Amorphous↗
DOE OSTI2017

Structural evolution and atomic dynamics in Ni–Nb metallic glasses: A molecular dynamics study

In this work, the composition and temperature dependence of static and dynamic structures in Ni x Nb 1– x ( x = 50–70 at. %) were systematically studied using molecular dynamics with a new-released semi-empirical embedded atom method potential by Mendelev. The calculated pair correlation functions and the structure factor match well with the experimental data, demonstrating the reliability of the potential within relatively wide composition and temperature ranges. The local atomic structures were then characterized by bond angle distributions and Voronoi tessellation methods, demonstrating that the icosahedral $\langle$0,0,12,0$\rangle$ is only a small fraction in the liquid state but increases significantly during cooling and becomes dominant at 300 K. The most abundant clusters are identified as $\langle$0,0,12,0$\rangle$ and distorted icosahedron$\langle$0,2,8,2$\rangle$. The large fraction of these two clusters hints that the relatively good glass forming ability is near the eutectic point. Unlike Cu–Zr alloys, both the self-diffusion coefficient and shear viscosity are insensitive to compositions upon cooling in Ni–Nb alloys. The breakdown of the Stokes-Einstein relation happens at around 1.6 T g ( T g : glass transition temperature). In the amorphous state, the solid and liquid-like atoms can be distinguished based on the Debye-Waller factor $\langle$ u 2 $\rangle$. The insensitivity of the dynamic properties of Ni–Nb alloys to compositions may result from the relatively simple solidification process in the phase diagram, in which only one eutectic point exists in the studied composition range.

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

Current limitations of solid-state NMR in carbohydrate and cell wall research

High-resolution investigation of cell wall materials has emerged as an important application of biomolecular solid-state NMR (ssNMR). Multidimensional correlation experiments have become a standard method for obtaining sufficient spectral resolution to determine the polymorphic structure of carbohydrates and address biochemical questions regarding the supramolecular organization of cell walls. Here, using plant cellulose and matrix polysaccharides as examples, we will review how the multifaceted complexity of polysaccharide structure is impeding the resonance assignment process and assess the available biochemical and spectroscopic approaches that could circumvent this barrier. We will emphasize the ineffectiveness of the current methods in reconciling the ever-growing dataset and deriving structural information. We will evaluate the protocols for achieving efficient and homogeneous hyperpolarization across the cell wall material using magic-angle spinning dynamic nuclear polarization (MAS-DNP). Critical questions regarding the line-broadening effects of cell wall molecules at cryogenic temperature and by paramagnetic biradicals will be considered. Finally, the MAS-DNP method will be placed into a broader context with other structural characterization techniques, such as cryo-electron microscopy, to advance ssNMR research in carbohydrate and cell wall biomaterials.

09 BIOMASS FUELS↗
DOE OSTI2025

Large exciton binding energy in a bulk van der Waals magnet from quasi-1D electronic localization

Excitons, bound electron-hole pairs, influence the optical properties in strongly interacting solid-state systems and are typically most stable and pronounced in monolayer materials. Bulk systems with large exciton binding energies, on the other hand, are rare and the mechanisms driving their stability are still relatively unexplored. Here, we report an exceptionally large exciton binding energy in single crystals of the bulk van der Waals antiferromagnet CrSBr. Utilizing state-of-the-art angle-resolved photoemission spectroscopy and self-consistent ab-initio GW calculations, we present direct spectroscopic evidence supporting electronic localization and weak dielectric screening as mechanisms contributing to the amplified exciton binding energy. Furthermore, we report that surface doping enables broad tunability of the band gap offering promise for engineering of the optical and electronic properties. Our results indicate that CrSBr is a promising material for the study of the role of anisotropy in strongly interacting bulk systems and for the development of exciton-based optoelectronics.

36 MATERIALS SCIENCE↗
NASA NTRS1990

Ground-based experiments on thermal and thermosolutal convection in inclined low-aspect-ratio enclosures

Thermal and thermosolutal convection driven by buoyancy forces are investigated experimentally in inclined low-aspect-ratio enclosures. Thermal and thermosolutal convection are important in crystal growth processes. The transport process in the fluid phase during the growth of a crystal has a profound influence on the structure and quality of the solid phase. The present work is concerned with natural convection in a shallow rectangular enclosure with imposed inclined temperature and/or concentration gradients. Various complex flow patterns are observed with different experimental conditions. A flow instability under certain conditions is reported. The flow instability is found to depend not only on the thermal and solutal Grashof numbers, the aspect ratios, but also the inclined angles.

Wang, L. W.↗
NASA NTRS1992

Reaction zone structure for strong, weak overdriven, and weak underdriven oblique detonations

A simple dynamic systems analysis is used to give examples of strong, weak overdriven, and weak underdriven oblique detonations. Steady oblique detonations consisting of a straight lead shock attached to a solid wedge followed by a resolved reaction zone structure are admitted as solutions to the reactive Euler equations. This is demonstrated for a fluid that is taken to be an inviscid, calorically perfect ideal gas that undergoes a two-step irreversible reaction with the first step exothermic and the second step endothermic. This model admits solutions for a continuum of shock wave angles for two classes of solutions identified by a Rankine-Hugoniot analysis: strong and weak overdriven waves. The other class, weak underdriven, is admitted for eigenvalue shock-wave angles. Chapman-Jouguet waves, however, are not admitted. These results contrast those for a corresponding onestep model that, for detonations with a straight lead shock, only admits strong, weak overdriven, and Chapman-Jouguet solutions.

Powers, Joseph M.↗
NASA NTRS1953

Application of a Channel Design Method to High-Solidity Cascades and Tests of an Impulse Cascade with 90 Degrees of Turning

A technique is developed for the application of a channel design method to the design of high-solidity cascades with prescribed velocity distributions as a function of arc length along the blade-element profile. The technique is applied to both incompressible and subsonic compressible, nonviscous, irrotational fluid motion. For compressible flow, the ratio of specific heats is assumed equal to -1.0. An impulse cascade with 90 degree turning was designed for incompressible flow and was tested at the design angle of attack over a range of downstream Mach number from 0.2 to coke flow. To achieve good efficiency, the cascade was designed for prescribed velocities and maximum blade loading according to limitations imposed by considerations of boundary-layer separation.

Stanitz, John D↗
NASA NTRS1994

Designing Aberration-Corrected Solid Unstable Resonators

In improved method of designing solid unstable resonator of laser diode, shapes of mirrors calculated to yield specified mode. Ray tracing used to compute shape of initially unspecified end mirror, given shape of initially specified end mirror and specified output mode. No need to accept aberrations or suboptimal circular shapes, to make iterative design computations in effort to converge on desired mode, or to assume paraxiality of rays: Angles between rays and optical axis large, cross sections of surfaces noncircular, and computed shape of end mirror exact. End mirror corrects for all aberrations.

Lang, Robert J.↗
NASA NTRS2006

Experiments on the Motion of Drops on a Horizontal Solid Surface due to a Wettability Gradient

Results from experiments performed on the motion of drops of tetraethylene glycol in a wettability gradient present on a silicon surface are reported and compared with predictions from a recently developed theoretical model. The gradient in wettability was formed by exposing strips cut from a silicon wafer to decyltrichlorosiland vapors. Video images of the drops captured during the experiments were subsequently analyzed for drop size and velocity as functions of position along the gradient. In separate experiments on the same strips, the static contact angle formed by small drops was measured and used to obtain the local wettability gradient to which a drop is subjected. The velocity of the drops was found to be a strong function of position along the gradient. A quasi-steady theoretical model that balances the local hydrodynamic resistance with the local driving force generally describes the observations; possible reasons for the remaining discrepancies are discussed. It is shown that a model in which the driving force is reduced to accomodate the hysteresis effect inferred from the data is able to remove most of the discrepancy between the observed and predicted velocities.

Moumen, Nadjoua↗
DOE OSTI2018

Every Atom Counts: Elucidating the Fundamental Impact of Structural Change in Conjugated Polymers for Organic Photovoltaics

As many conjugated polymer-based organic photovoltaic (OPV) materials provide substantial solar power conversion efficiencies (as high as 13%), it is important to develop a deeper understanding of how the primary repeat unit structures impact device performance. In this work, we have varied the group 14 atom (C, Si, Ge) at the center of a bithiophene fused ring to elucidate the impact of a minimal repeat unit structure change on the optical, transport, and morphological properties, which ultimately control device performance. Careful polymerization and polymer purification produced three “one-atom change” donor–acceptor conjugated alternating copolymers with similar molecular weights and dispersities. DFT calculation, absorption spectroscopy, and high-temperature solution 1 H nuclear magnetic resonance (NMR) results indicate that poly(dithienosilole-alt-thienopyrrolodione), P(DTS-TPD), and poly(dithienogermole-alt-thienopyrrolodione), P(DTG-TPD) exhibit different rotational conformations when compared to poly(cyclopentadithiophene-alt-thienopyrrolodione), P(DTC-TPD). Solid-state 1 H MAS NMR experiments reveal that the greater probability of the anticonformation in P(DTS-TPD) and P(DTG-TPD) prevail in the solid phase. The conformational variation seen in solution and solid-state NMR in turn affects the polymer stacking and intermolecular interaction. Two-dimension 1 H- 1 H DQ-SQ NMR correlation spectra shows aromatic–aromatic correlations for P(DTS-TPD) and P(DTG-TPD), which on the other hand is absent for P(DTC-TPD). In a thin-film interchain packing study using grazing incidence wide-angle X-ray scattering (GIWAXS), we observe the π-face of the conjugated backbones of P(DTC-TPD) aligned edge-on to the substrate, whereas in contrast the π-faces of P(DTS-TPD) and P(DTG-TPD) align parallel to the surface. These differences in polymer conformations and backbone orientations lead to variations in the OPV performance of blends with the fullerene PC 71 BM, with the device containing P(DTC-TPD):PCBM having a lower fill factor and a lower power conversion efficiency. Ultrafast transient absorption spectroscopy shows the P(DTC-TPD):PCBM blend to have a more pronounced triplet formation from bimolecular recombination of initially separated charges. With a combination of sub-bandgap external quantum efficiency measurements and DFT calculations, we present evidence that the greater charge recombination loss is the result of a lower lying triplet energy level for P(DTC-TPD), leading to a higher rate of recombination and lower OPV device performance. In conclusion, importantly, this study ties ultimate photovoltaic performance to morphological features in the active films that are induced from the processing solution and are a result of minimal one-atom differences in polymer repeat unit structure.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Monomeric and Trimeric Thorium Chlorides Isolated from Acidic Aqueous Solution

Two thorium(IV) compounds, [Th(H 2 O) 4 Cl 4 ]·2 (HPy·Cl) ( 1 ) and (HPy) 3 [Th 3 (H 2 O) 2 Cl 10 (OH) 5 ]·4(HPy·Cl) ( 2 ) (HPy = pyridinium), were isolated from acidic aqueous solution. The compounds were synthesized at room temperature and subsequently characterized using single crystal X-ray diffraction along with Raman and IR spectroscopies. Whereas compound 1 is built from discrete mononuclear Th(H 2 O) 4 Cl 4 units, compound 2 consists of a novel hydroxo-bridged trimeric [Th 3 (OH) 5 ] 7+ core. Such species are largely absent from discussions of Th solution and solid-state chemistry and their isolation may be attributed to outer coordination sphere interactions that help stabilize the structural units; extensive hydrogen bonding and $π–π$ stacking interactions are present in 1 and 2 . Density functional theory calculations were performed to predict the respective vibrational frequencies of the structural units, and their relative stability was predicted at the correlated molecular theory level. Small-angle X-ray scattering analysis of [Th 3 (OH) 5 ] 7+ in water indicates that the trimeric structural unit remains intact and that it is indeed an important species that necessitates consideration in geochemical models and for design of Th materials from water.

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

Self-Assembly of a Midblock-Sulfonated Pentablock Copolymer in Mixed Organic Solvents: A Combined SAXS and SANS Analysis

Ionic, and specifically sulfonated, block copolymers are continually gaining interest in the soft materials community due to their unique suitability in various ion exchange applications such as fuel cells, organic photovoltaics, and desalination membranes. One unresolved challenge inherent to these materials is solvent templating, that is, the translation of self-assembled solution structures into non equilibrium solid film morphologies. Recently, the use of mixed polar/nonpolar organic solvents has been examined in an effort to elucidate and control the solution self-assembly of sulfonated block copolymers. The current study sheds new light on micellar assemblies (i.e., those with the sulfonated blocks comprising the micellar core) of a midblock-sulfonated pentablock copolymer in polar/nonpolar solvent mixtures by combining small-angle X-ray and small-angle neutron scattering. Our scattering data reveal that micelle size depends strongly on overall solvent composition: micelle cores and coronae grow as the fraction of nonpolar solvent is increased. Universal model fits further indicate that an unexpectedly high fraction of the micelle cores is occupied by polar solvent (60-80 vol %) and that partitioning of the polar solvent into micelle cores becomes more pronounced as its overall quantity decreases. This solvent presence in the micelle cores explains the simultaneous core/corona growth, which is otherwise counterintuitive. Furthermore our findings provide a potential pathway for the formation of solvent-templated films with more interconnected morphologies due to the greatly solvated micellar cores in solution, thereby enhancing the molecular, ion, and electron-transport properties of the resultant films.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Phase Transition of H 2 in Subnanometer Pores Observed at 75 K

In this paper, we report a phase transition in H 2 adsorbed in a locally graphitic Saran carbon with subnanometer pores 0.5–0.65 nm in width, in which two layers of hydrogen can just barely squeeze, provided they pack tightly. The phase transition is observed at 75 K, temperatures far higher than other systems in which an adsorbent is known to increase phase transition temperatures: for instance, H 2 melts at 14 K in the bulk, but at 20 K on graphite because the solid H 2 is stabilized by the surface structure. Here we observe a transition at 75 K and 77–200 bar: from a low-temperature, low-density phase to a high-temperature, higher density phase. We model the low-density phase as a monolayer commensurate solid composed mostly of para-H 2 (the ground nuclear spin state, S = 0) and the high-density phase as an orientationally ordered bilayer commensurate solid composed mostly of ortho-H 2 (S = 1). We attribute the increase in density with temperature to the fact that the oblong ortho-H 2 can pack more densely. The transition is observed using two experiments. The high-density phase is associated with an increase in neutron backscatter by a factor of 7.0 ± 0.1. Normally, hydrogen produces no backscatter (scattering angle >90°). This backscatter appears along with a discontinuous increase in the excitation mass from 1.2 amu to 21.0 ± 2.3 amu, which we associate with collective nuclear spin excitations in the orientationally ordered phase. Film densities were measured using hydrogen adsorption. Finally, no phase transition was observed in H 2 adsorbed in control activated carbon materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Sheath constraints on turbulent magnetised plasmas

Abstract A solid target in contact with a plasma charges (negatively) to reflect the more mobile species (electrons) and thus keep the bulk plasma quasineutral. To shield the bulk plasma from the charged target, there is an oppositely (positively) charged sheath with a sharp electrostatic potential variation on the Debye length scale λ D . In magnetised plasmas where the magnetic field is inclined at an oblique angle α with the target, some of the sheath potential variation occurs also on the ion sound gyroradius length scale ρ S cos ⁡ α , caused by finite ion gyro-orbit distortion and losses. We consider a collisionless and steady-state magnetised plasma sheath whose thickness l ms ∼ max ( λ D , ρ S cos ⁡ α ) is smaller than the characteristic length scale L of spatial fluctuations in the bulk plasma, such that the limit l ms / L → 0 is appropriate. Spatial structures are assumed to be magnetic field-aligned. In the case of small magnetic field angle α ∼ δ ≡ ρ S / L ≪ 1 , electric fields tangential to the target transport ions towards the target via E × B drifts at a rate comparable to the one from parallel streaming. A generalised form of the kinetic Bohm–Chodura criterion at the sheath entrance is derived by requiring that the sheath electric field have a monotonic spatial decay far from the target. The criterion depends on tangential gradients of potential and ion distribution function, with additional nontrivial conditions.

kinetic Bohm–Chodura condition↗
NASA NTRS1973

Noise and wake structure measurements in a subsonic tip speed fan

The results of an experimental program are reported which show the effect of blade angle, tip speed, fan pressure ratio, and thrust on noise of a model fan of 0.457m (18 inches) diameter operating at subsonic tip speeds at pressure ratios between 1.06 and 1.15. The fan used in this study had 12 blades, 7 stator vanes, and a spacing between the rotor and stator of 1.85 blade chords. This fan was originally designed for aerodynamic testing and was considered a good performer. It was used in the noise test program as it incorporated features found to reduce noise in an earlier analytical parametric study. For a given pressure ratio the fan was shown to exhibit minimum noise at the blade angle and tip speed near that of maximum aerodynamic efficiency. Also, the noise level and spectrum character of this fan showed excellent correlation with scaled data of a similar larger diameter fan. Results of the program confirm the trends shown in the earlier analytical parametric study which showed that fan noise could be reduced for a given thrust and pressure ratio by increasing fan solidity, improving fan aerodynamic design, and operating the fan at an optimum subsonic tip speed. In addition to noise, the blade wake characteristics at the leading edge of the stator were measured in this program. At root and tip sections some difference between predicted and measured wakes was found. However comparisons between predicted and measured wakes at mid span locations was found to be good.

Magliozzi, B.↗