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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 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Study on a novel orientation domain of Mg17Ce2 in aged Mg–Y–Ce alloy by HAADF–STEM

Highlights: • A novel 90 degree orientation domain is verified in Mg{sub 17}Ce{sub 2} granules. • Orientations of domain–Ι and Π are parallel and perpendicular to α-Mg matrix. • A 〈 1-bar 010〉 direction is unchanged among domain–Ι, domain–Π and α-Mg matrix. • Domain–Ι matches the α-Mg matrix better than the domain–Π. - Abstract: After solid solution and aging treatment, Mg–3.0 wt%Y–1.0 wt%Ce ternary alloys were characterized using high angle annular dark field scanning transmission electron microscopy. The main precipitates are dominated by β{sup ′} phase and Mg{sub 17}Ce{sub 2}, a Ni{sub 17}Th{sub 2}–type intermetallic compound. An orientation domain can be discerned generally in Mg{sub 17}Ce{sub 2} granules. This domain structure of Mg{sub 17}Ce{sub 2} always consists of two types of domains (defined as domain–Ι and domain–Π) with a 90 degree orientation difference. In terms of crystallographic orientation relationships among α-Mg matrix and both domains, the domain–Ι is parallel to α-Mg matrix, whereas, the domain–Π is perpendicular to α-Mg matrix. It can be certain that a 〈 1-bar 010〉 direction is an unchanged orientation. Due to nearly equal values of lattice parameters (a and c) of Mg{sub 17}Ce{sub 2}, both domain–Ι and domain–Π can matches well with α-Mg matrix. Comparatively, the interfacial matching between domain–Ι and α-Mg matrix is better, suggesting that the domain–Ι is dominant.

36 MATERIALS SCIENCE↗
NASA NTRS1982

Effects of axisymmetric and normal air jet plumes and solid plume on cylindrical afterbody pressure distributions at Mach numbers from 1.65 to 2.50

A wind tunnel investigation of the interference effects of axisymmetric nozzle air plumes, a solid plume, and normal air jet plumes on the afterbody pressure distributions and base pressures of a cylindrical afterbody model was conducted at Mach numbers from 1.65 to 2.50. The axisymmetric nozzles, which varied in exit lip Mach number from 1.7 to 2.7, and the normal air jet nozzle were tested at jet pressure ratios from 1 (jet off) to 615. The tests were conducted at an angle of attack of 0 deg and a Reynolds number per meter of 6.56 million. The results of the investigation show that the solid plume induces greater interference effects than those induced by the axisymmetric nozzle plumes at the selected underexpanded design conditions. A thrust coefficient parameter based on nozzle lip conditons was found to correlate the afterbody disturbance distance and the base pressure between the different axisymmetric nozzles. The normal air jet plume and the solid plume induce afterbody disturbance distances similar to those induced by the axisymmetric air plumes when base pressure is held constant.

Covell, P. F.↗
NASA NTRS2011

HIWRAP Radar Development for High-Altitude Operation on the NASA Global Hawk and ER-2

The NASA High-Altitude Imaging Wind and Rain Airborne Profiler (HIWRAP) is a solid-state transmitter-based, dual-frequency (Ka- and Ku-band), dual-beam (30 degree and 40 degree incidence angle), conical scan Doppler radar system, designed for operation on the NASA high-altitude (20 km) aircrafts, such as the Global Hawk Unmanned Aerial System (UAS). Supported by the NASA Instrument Incubator Program (IIP), HIWRAP was developed to provide high spatial and temporal resolution 3D wind and reflectivity data for the research of tropical cyclone and severe storms. With the simultaneous measurements at both Ku- and Ka-band two different incidence angles, HIWRAP is capable of imaging Doppler winds and volume backscattering from clouds and precipitation associated with tropical storms. In addition, HIWRAP is able to obtain ocean surface backscatter measurements for surface wind retrieval using an approach similar to QuikScat. There are three key technology advances for HIWRAP. Firstly, a compact dual-frequency, dual-beam conical scan antenna system was designed to fit the tight size and weight constraints of the aircraft platform. Secondly, The use of solid state transmitters along with a novel transmit waveform and pulse compression scheme has resulted in a system with improved performance to size, weight, and power ratios compared to typical tube based Doppler radars currently in use for clouds and precipitation measurements. Tube based radars require high voltage power supply and pressurization of the transmitter and radar front end that complicates system design and implementation. Solid state technology also significantly improves system reliability. Finally, HIWRAP technology advances also include the development of a high-speed digital receiver and processor to handle the complex receiving pulse sequences and high data rates resulting from multi receiver channels and conical scanning. This paper describes HIWRAP technology development for dual-frequency operation at high-altitudes using low peak power transmitters and pulse compression. The hardware will be described along with the methods and concepts for the system design. Finally, we will present recent preliminary results from flights on the NASA Global Hawk in support of the NASA Genesis and Rapid Intensification Processes (GRIP) field campaign, and on the NASA ER-2 as fixed nadir pointing mode for the NASA Global Precipitation Measurement (GPM) ground validation (GV) mission - Midlatitude Continental Convective Cloud Experiment (MC3E)

Li, Lihua↗
DOE OSTI2024

Establishing coherent momentum-space electronic states in locally ordered materials

Rich momentum-dependent electronic structure naturally arises in solids with long-range crystalline symmetry. Reliable and scalable quantum technologies rely on materials that are either not perfect crystals or non-crystalline, breaking translational symmetry. This poses the fundamental questions of whether coherent momentum-dependent electronic states can arise without long-range order, and how they can be characterized. Here we investigate Bi 2 Se 3 , which exists in crystalline, nanocrystalline, and amorphous forms, allowing direct comparisons between varying degrees of spatial ordering. Through angle-resolved photoemission spectroscopy, we show for the first time momentum-dependent band structure with Fermi surface repetitions in an amorphous solid. The experimental data is complemented by a model that accurately reproduces the vertical, dispersive features as well as the replication at higher momenta in the amorphous form. These results reveal that well-defined real-space length scales are sufficient to produce dispersive band structures, and that photoemission can expose the imprint of these length scales on the electronic structure.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Measurement of the infrared optical constants for spectral modeling: n and k values for (NH4)2SO4 via single-angle reflectance and ellipsometric methods

The optical constants n and k can be used to model infrared spectra, including refraction, absorption, reflectance, and emissivity, but obtaining reliable values for solid materials (pure or otherwise) presents a challenge: In the past, the best results for n and k have been obtained from bulk, homogeneous materials, free of defects. That is, materials where the Fresnel equations are operant since there is no light scattering. Since it is often not possible to obtain a pure macroscopic (crystalline) material, it may be possible to press the material into a (uniform, void-free) disk. We have recently been able to do this with ammonium sulfate powder and then measured the n & k values via two independent methods: 1) Ellipsometry - which measures the changes in amplitude and phase of light reflected from the material of interest as a function of wavelength and angle of incidence, and 2) Single angle specular reflectance with an FT spectrometer using a specular reflectance device within an FT instrument which measures the change in amplitude of light reflected from the material of interest as a function of wavelength and angle of incidence over a wide wavelength range. The quality of the derived n & k values was tested by generating the reflectance spectra of the pellet and comparing to the calculated to measured reflectance spectra of the pure material which has been previously published. The comparison to literature values showed good accuracy and good agreement, indicating promise to measure other materials by such methods.

ammonium sulfate↗
DOE OSTI2016

3D Monte Carlo simulation of backscattered electron signal variation across pore-solid boundaries in cement-based materials

Three-dimensional (3D) Monte Carlo simulation was used to study the variation of backscattered electron (BSE) signal across pore-solid boundaries in cement-based materials in order to enhance quantitative analysis of pore structure. The effects of pore size, depth and boundary inclination angle were investigated. It is found that pores down to 1 nm can generate sufficient contrast to be detected. Visibility improves with larger pore size, smaller beam probe size and lower acceleration voltage. However, pixels in shallow pores or near pore boundaries display higher grey values (brightness) than expected due to sampling sub-surface or neighbouring solid material. Thus, cement-based materials may appear less porous or the pores appear smaller than they actually are in BSE images. Simulated BSE images were used to test the accuracy of the Overflow pore segmentation method. Results show the method is generally valid and gives low errors for pores that are 1 μm and greater.

36 MATERIALS SCIENCE↗
NASA NTRS2009

Catastrophe Optics Method to Determine the Micro-Nano Size Profiles at TPL of Liquid Films on a Solid Surface

As discovered by recent studies, what directly affects the wetting and spreading is curvature in micro-region rather than the macroscopic contact angle. Measuring the profile of the micro-region becomes an important research topic. Recently, catastrophe optics has been applied to this kind of measurements. Optical catastrophe occurring in far field of waves of liquid-refracted laser beam implies a wealth of information about the liquid spreading not only for liquid drops but also for films. When a parallel laser beam passes through a liquid film on a slide glass at three-phase-line (TPL), very interesting optical image patterns occur on a screen far from the film. An analysis based on catastrophe optics discloses and interprets the formation of these optical image patterns. The analysis reveals that the caustic line manifested as the bright-thick line on the screen implies the lowest hierarchy of optical catastrophes, called fold caustic. This optical catastrophe is produced by the inflexion line on liquid surface at the liquid foot, which is formed not only in the spreading of drops but also in spreading of films. The generalized catastrophe optics method enables to identify the edge profiles and determine the edge foot height of liquid films. Keywords: Crossover region, Inflexion line, liquid edge foot, Catastrophe optics, Caustic and diffraction

Chao, David F.↗
DOE OSTI2016

Wavelength Scanning with a Tilting Interference Filter for Glow-Discharge Elemental Imaging

Glow discharges have long been used for depth profiling and bulk analysis of solid samples. In addition, over the past decade, several methods of obtaining lateral surface elemental distributions have been introduced, each with its own strengths and weaknesses. Challenges for each of these techniques are acceptable optical throughput and added instrumental complexity. Here, these problems are addressed with a tilting-filter instrument. A pulsed glow discharge is coupled to an optical system comprising an adjustable-angle tilting filter, collimating and imaging lenses, and a gated, intensified charge-coupled device (CCD) camera, which together provide surface elemental mapping of solid samples. The tilting-filter spectrometer is instrumentally simpler, produces less image distortion, and achieves higher optical throughput than a monochromator-based instrument, but has a much more limited tunable spectral range and poorer spectral resolution. As a result, the tilting-filter spectrometer is limited to single-element or two-element determinations, and only when the target spectral lines fall within an appropriate spectral range and can be spectrally discerned. Spectral interferences that result from heterogeneous impurities can be flagged and overcome by observing the spatially resolved signal response across the available tunable spectral range. Lastly, the instrument has been characterized and evaluated for the spatially resolved analysis of glow-discharge emission from selected but representative samples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Dataset_for_Molecular_Motion_Below_the_Glass_Transition_A_Solid-State_NMR_Study_of_Siloxane_Polymer_Dynamics Study

This dataset contains solid-state 1H and 13C NMR relaxometry data, differential scanning calorimetry (DSC) data, and size exclusion chromatography (SEC/GPC) data supporting the study of sub-glass-transition (sub-Tg) molecular dynamics in a composition- and sequence-controlled series of diphenyl-substituted polysiloxanes (PDMS, 14Ph, 33Ph, 50Ph, 67Ph, and 100Ph; 0–100% diphenylsiloxane content by mole).All solid-state NMR data were acquired on a 200 MHz Bruker Avance III HD spectrometer using a static 7 mm HX probe or a 4 mm HX probe under 4 kHz magic-angle spinning. Raw Bruker TopSpin experiment folders are included for: (1) variable-temperature 1H lineshape measurements used to determine linewidth (FWHM) as a function of temperature across the glass transition; (2) 1H T1 (saturation recovery with solid-echo detection), probing nanosecond-scale dynamics near the 1H Larmor frequency; (3) 1H T1rho (direct spin-lock, 62.5 kHz), probing microsecond-scale segmental dynamics; (4) 13C-detected Lee–Goldburg cross-polarization 1H T1rho (LGCPH T1rho) for 33Ph and 50Ph, resolving aromatic and aliphatic proton environments; and (5) 13C T1 relaxation for 33Ph and 50Ph. Differential scanning calorimetry data (TA Instruments DSC 25, −150 to +120 °C, up to +300 °C for 100Ph, 10 °C/min) are included for all six compositions and support the glass-transition temperatures in Table 1 and Figure 1. Size exclusion chromatography data (Agilent 1200 Series, PL-Gel 300 mixed-C column, THF mobile phase, polystyrene calibration standards) are included for the three synthesized copolymers (33Ph, 50Ph, 67Ph) and support the number-average molecular weights in Table 1. Processed data include per-composition relaxation-time summaries (Excel), curve-fitting and Bloembergen-Purcell-Pound (BPP) model analysis notebooks (Jupyter/Python), and Igor Pro (.pxp) master files used to generate the manuscript's figures.

Bloembergen-Purcell-Pound theory↗
DOE OSTI2023

Structural characterization of tin in toothpaste by dynamic nuclear polarization enhanced 119 Sn solid-state NMR spectroscopy

Stannous fluoride (SnF 2 ) is an effective fluoride source and antimicrobial agent that is widely used in commercial toothpaste formulations. The antimicrobial activity of SnF 2 is partly attributed to the presence of Sn(II) ions. However, it is challenging to directly determine the Sn speciation and oxidation state within commercially available toothpaste products due to the low weight loading of SnF 2 (0.454 wt% SnF 2 , 0.34 wt% Sn) and the amorphous, semi-solid nature of the toothpaste. Here, we show that dynamic nuclear polarization (DNP) enables 119 Sn solid-state NMR experiments that can probe the Sn speciation within commercially available toothpaste. Solid-state NMR experiments on SnF 2 and SnF 4 show that 19 F isotropic chemical shift and 119 Sn chemical shift anisotropy (CSA) are highly sensitive to the Sn oxidation state. DNP-enhanced 119 Sn magic-angle turning (MAT) 2D NMR spectra of toothpastes resolve Sn(II) and Sn(IV) by their 119 Sn chemical shift tensor parameters. Fits of DNP-enhanced 1D 1 H → 119 Sn solid-state NMR spectra allow the populations of Sn(II) and Sn(IV) within the toothpastes to be estimated. This analysis reveals that three of the four commercially available toothpastes contained at least 80% Sn(II), whereas one of the toothpaste contained a significantly higher amount of Sn(IV).

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

Microstructure evolution and mechanical characterization of Nd:YAG laser beam welded titanium tubes

Highlights: • Joining of thin titanium tubes using laser beam welding. • Fusion zone exhibited coarse granular like grains with serrated and irregular boundaries. • Large spherical and irregular shape pores were observed at lower welding speeds. • Misorientation angle distribution indicated substructure boundaries along with single β grain formation from double α grains. • Fusion zone strengthened by substructure boundaries, solid solution strengthening and dislocation density. - Abstract: Grade 2 titanium tubes of outer diameter 60 mm and wall thickness 3.9 mm were effectively joined by Nd:YAG laser. The welding speed was varied in five levels (2.50, 2.75, 3.00, 3.25 and 3.50 m/min). The microstructure evolution was studied using optical microscopy and advanced characterization techniques. The bead geometry changed from parallel shape to wedge shape with increased welding speed due to changes in surface tension. The macrographs showed three zones namely fusion zone, heat affected zone (HAZ) and base metal. Coarse granular structure with irregular and serrated contours was observed in the fusion zone. Acicular α grains were observed at the extreme outer edge of the fusion zone due to rapid cooling. Spherical and irregular shaped pores were observed near the centerline of the fusion zone at lower welding speeds due to large amount of entrapped gases and downward sweeping solidification front. The grain size decreased with increased welding speed due to higher cooling rate. The misorientation angle distribution map showed three distinct regions. The increase in welding speed caused an increase in low angle boundaries and a reduction in very high angle boundaries. High density of dislocations was observed in the fusion zone due to thermal stresses caused by solidification. The microhardness of the fusion zone was recorded to be higher than base metal due to substructure boundaries, solute elements and dislocations. The increase in welding speed shifted the fracture location from fusion zone to base metal and fracture mode from brittle to ductile.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Chemical specificity in polyzwitterion-polyelectrolyte coacervates: polycations vs polyanions

Aqueous solutions containing polyzwitterions and polyelectrolytes were studied to probe the effects of chemical specificity on the complexation among different types of chains and resulting liquid–liquid phase separation (coacervation). Two kinds of blends were studied. A polyzwitterion, poly(sulfobetaine methacrylate) (PSBMA), was blended with either (1) a polycation, poly(diallydimethylammonium chloride) (PDADMAC), or (2) a polyanion, sodium poly(styrene sulphonate) (NaPSS). Coacervation was observed in both blends after equilibration, while the freshly prepared blend solutions exhibited distinct behavior dependent on the mixing protocols. Mixing solutions of the polyzwitterions and the polycations led to coacervation almost instantaneously. In contrast, the blends containing the same polyzwitterions and the polyanions exhibited no such coacervation by following the same mixing protocol. However, blends prepared after dissolving a solid mixture containing the same polyzwitterions and the polyanions in water exhibited coacervation. Based on the small-angle X-ray scattering (SAXS), cryo-electron microscopy, and rheology measurements, complexation and coacervation in the polyzwitterion-polyelectrolyte blends is rationalized in terms of the entropy change associated with reorganization of solvent (water), which appears to be larger in the polyzwitterion-polycation case in comparison with the polyzwitterion-polyanion blends. These results highlight the importance of chemical specificity and mixing protocols leading to metastable structures in designing a new class of materials based on macromolecular complexation of polyzwitterions.

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

An evaluation of complementary approaches to elucidate fundamental interfacial phenomena driving adhesion of energetic materials

In this study, cohesive Hamaker constants of solid materials are measured via optical and dielectric properties (i.e., Lifshitz theory), inverse gas chromatography (IGC), and contact angle measurements. To date, however, a comparison across these measurement techniques for common energetic materials has not been reported. This has been due to the inability of the community to produce samples of energetic materials that are readily compatible with contact angle measurements. Here we overcome this limitation by using physical vapor deposition to produce thin films of five common energetic materials, and the contact angle measurement approach is applied to estimate the cohesive Hamaker constants and surface energy components of the materials. The cohesive Hamaker constants range from 85 zJ to 135 zJ across the different films. When these Hamaker constants are compared to prior work using Lifshitz theory and nonpolar probe IGC, the relative magnitudes can be ordered as follows: contact angle > Lifshitz > IGC. Furthermore, the dispersive surface energy components estimated here are in good agreement with those estimated by IGC. Due to these results, researchers and technologists will now have access to a comprehensive database of adhesion constants which describe the behavior of these energetic materials over a range of settings.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Deuteron off-resonance rotating frame relaxation for the characterization of slow motions in rotating and static solid-state proteins

Here, we demonstrate the feasibility of deuterium solid-state NMR off-resonance rotating frame relaxation measurements for studies of slow motions in biomolecular solids. The pulse sequence, which includes adiabatic pulses for magnetization alignment, is illustrated for static and magic-angle spinning conditions away from rotary resonances. We apply the measurements for three systems with selective deuterium labels at methyl groups: a) a model compound, Fluorenylmethyloxycarbonyl methionine-D 3 amino acid, for which the principles of the measurements and corresponding motional modeling based on rotameric interconversions are demonstrated; b) amyloid-β 1-40 fibrils labeled at a single alanine methyl group located in the disordered N-terminal domain. This system has been extensively studied in prior work and here serves as a test of the method for complex biological systems. The essential features of the dynamics consist of large-scale rearrangements of the disordered N-terminal domain and the conformational exchange between the free and bound forms of the domain, the latter one due to transient interactions with the structured core of the fibrils. and c) a 15-residue helical peptide which belongs to the predicted α-helical domain near the N-terminus of apolipoprotein B. The peptide is solvated with triolein and incorporates a selectively labeled leucine methyl groups. The method permits model refinement, indicating rotameric interconversions with a distribution of rate constants.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Dynamic response of a freely rotating butterfly valve in the advanced test reactor – dynamic fluid-body interaction modeling

To regulate primary coolant flow in the Advanced Test Reactor (ATR), a butterfly valve was installed between the primary coolant pumps and the reactor core. If the mechanical connection between the valve's disk and its shaft ever fails, the disk will rotate freely. Rapid disk rotation may induce pressure surges that could damage upstream pipes. In the present work, the rotational trajectory and pressure evolution during a disk free-rotation scenario were analyzed via the dynamic fluid-body interaction (DFBI) approach in STAR-CCM+, with the movement of a solid being driven by the forces and moment/torque imposed by its surrounding fluid. Assuming a large initial opening angle, the disk accelerates slowly, but swiftly passes the closed position. As a result of the sudden valve closure, a pressure surge occurs in the upstream pipes, exceeding their maximum allowable pressure. Furthermore, the disk does not stabilize at the closed position but continually oscillates due to the unsteady nature of the coolant flow. Because of the significant and continuous water hammer effect, a fix to the butterfly valve is being implemented to prevent rapid valve closure due to failure at the valve's disk/shaft mechanical connection.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2018

Surprising Stability of Cubane under Extreme Pressure

The chemical stability of solid cubane under high-pressure was examined with in situ Raman spectroscopy and synchrotron powder X-ray diffraction (PXRD) in a diamond anvil cell (DAC) up to 60 GPa. The Raman modes associated with solid cubane were assigned by comparing experimental data with calculations based on density functional perturbation theory, and low-frequency lattice modes are reported for the first time. Here, the equation of state of solid cubane derived from the PXRD measurements taken during compression gives a bulk modulus of 14.5(2) GPa. In contrast with previous work and chemical intuition, PXRD and Raman data indicate that solid cubane exhibits anomalously large stability under extreme pressure, despite its immensely strained 90° C–C–C bond angles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Large-scale ab initio simulations of MAS DNP enhancements using a Monte Carlo optimization strategy

Magic-angle-spinning (MAS) dynamic nuclear polarization (DNP) has recently emerged as a powerful technology enabling otherwise unrealistic solid-state NMR experiments. The simulation of DNP processes which might, for example, aid in refining the experimental conditions or the design of better performing polarizing agents, is, however, plagued with significant challenges, often limiting the system size to only 3 spins. Here, we present the first approach to fully ab initio large-scale simulations of MAS DNP enhancements. The Landau-Zener equation is used to treat all interactions concerning electron spins, and the low-order correlations in the Liouville space method is used to accurately treat the spin diffusion, as well as its MAS speed dependence. As the propagator cannot be stored, a Monte Carlo optimization method is used to determine the steady-state enhancement factors. As a result, this new software is employed to investigate the MAS speed dependence of the enhancement factors in large spin systems where spin diffusion is of importance, as well as to investigate the impacts of solvent and polarizing agent deuteration on the performance of MAS DNP.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗