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All sources NASA NTRS DOE OSTI

DOE OSTI2014

Picoelectrospray Ionization Mass Spectrometry Using Narrow-bore Chemically Etched Emitters

Electrospray ionization mass spectrometry (ESI-MS) at flow rates below ~10 nL/min has been only sporadically explored due to difficulty in reproducibly fabricating emitters that can operate at lower flow rates. Here we demonstrate narrow orifice chemically etched emitters for stable electrospray at flow rates as low as 400 pL/min. Depending on the analyte concentration, we observe two types of MS signal response as a function of flow rate. At low concentrations, an optimum flow rate is observed slightly above 1 nL/min, while the signal decreases monotonically with decreasing flow rates at higher concentrations. In spite of lower MS signal, the ion utilization efficiency increases exponentially with decreasing flow rate in all cases. No unimolecular response was observed within this flow rate range during the analysis of an equimolar mixture of peptides, indicating that ionization efficiency is an analyte-dependent characteristic in given experimental conditions. While little to no gain in signal-to-noise was achieved at ultralow flow rates for concentration-limited analyses, experiments consuming the same amount of analyte suggest that mass-limited analyses will benefit strongly from the use of low flow rates and avoiding unnecessary sample dilution. By operating under optimal conditions, consumption of just 500 zmol of sample yielded signal-to-noise ratios ~10 for some peptides. These findings have important implications for the analysis of trace biological samples.

Environmental Molecular Sciences Laboratory↗

DOE OSTI2020

29 Si solid state MAS NMR study on leaching behaviors and chemical stability of different Mg-silicate structures for CO 2 sequestration

Silicon is one of the most earth abundant elements, and thus, the fate and reactivity of silicate materials are often important for various energy and environmental technologies including carbon sequestration, where CO 2 is captured and stored as a thermodynamically stable solid carbonate phase. Thus, understanding the structures and chemistries of different silicate phases has become an important research aim. Here in this study, the changes in the silicate structures (Q 0 –Q 4 ) of heat-treated Mg-bearing mineral (serpentine) exposed to a CO 2 -water system (carbonic acid) was investigated using 29 Si MAS NMR, XRPD and ICP-OES and the identified structures were employed to explain complex leaching behaviors of silicate materials. The 29 Si MAS NMR and XRPD analysis indicated that the heat-treated serpentine is a mixture of amorphous (Q 1 : dehydroxylate I, Q 2 : enstatite, Q 4 : silica) and crystalline (Q 0 : forsterite, Q 3 : dehydroxylate II and serpentine) phase, while natural serpentine mineral has single crystalline Q 3 silicate structure. The leaching experiments showed that both Mg and Si in the amorphous silicate structures (Q 1 : dehydroxylate I, Q 2 : enstatite) are more soluble than those in crystalline phase (Q 0 : forsterite, Q 3 : dehydroxylate II and serpentine). Therefore, tuning the silicate structure towards Q 1 and Q 2 would significantly improve carbon sequestration potential of silicate minerals, whereas silicate materials with Q 3 structure would provide great chemical stabilities in acidic conditions. The solubilities of silicate structures were in the order of Q 1 (dehydroxylate I) > Q2 (enstatite) >> Q0 (forsterite) > Q3 (dehydroxylate II) > Q 3 (serpentine) and this finding can be used to better design a wide range of energy and environmental materials and reaction systems.

25 ENERGY STORAGE↗

DOE OSTI2013

On bolus for megavoltage photon and electron radiation therapy

Frequently, in radiation therapy one must treat superficial lesions on cancer patients; these are at or adjacent to the skin. Megavoltage photon radiotherapy penetrates through the skin to irradiate deep-seated tumors, with skin-sparing property. Hence, to treat superficial lesions, one must use a layer of scattering material to feign as the skin surface. Although megavoltage electron beams are used for superficial treatments, one occasionally needs to enhance the dose near the surface. Such is the function of a “bolus,” a natural or synthetically developed material that acts as a layer of tissue to provide a more effective treatment to the superficial lesions. Other uses of boluses are to correct for varying surface contours and to add scattering material around the patient's surface. Materials used as bolus vary from simple water to metal and include various mixtures and compounds. Even with the modernization of the technology for external-beam therapy and the emergence of various commercial boluses, the preparation and utilization of a bolus in clinical radiotherapy remains an art. Considering the varying experiences and practices, this paper briefly summarizes available boluses that have been proposed and are employed in clinical radiotherapy. Although this review is not exhaustive, it provides some initial guidance and answers questions that may arise in clinical practice.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2018

Development of an array of liquid-scintillator-based bar detectors: SABRE

We present that an array of neutron detectors based on liquid scintillator technology has been developed for nuclear reaction studies, in particular measurements with radioactive ion beams (RIBs). Reaction measurements with RIBs often involve low reaction yields and high gamma-induced backgrounds, which requires high solid angle coverage, high efficiency, and background reduction capability. The kinematics of the reaction neutrons require energy and position determination with good resolution, but preferably without a large number of readouts to minimize cost. To address these requirements, the Scintillation Array of Bars for Reaction Experiments (SABRE) consists of five 12” long, 2” diameter bar detectors filled with organic liquid scintillator and capped at both ends with individually read-out superbialkali photomultiplier tubes (PMTs). Finally, in-house purification of the scintillator mixtures resulted in improved light collection. Discussion of the liquid scintillator development and the design and commissioning of SABRE will be presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2026

High Semi-Volatile Organic Aerosol Contributions Associated with Ammonium Nitrate in the Coastal Urban Environment

Organic components often contribute 50% or more of the submicron aerosol mass in coastal urban environments, but their partitioning between the gas and particle phases is controlled by a complex mixture of unidentified organic compounds that are poorly constrained by observations. This study compares daily filter organic functional groups (OFG) with online organic mass fragments from La Jolla, California, as part of the Eastern Pacific Cloud Aerosol Precipitation Experiment (EPCAPE), quantifying the contributions of four types of non-volatile (NV) organic emission sources to the submicron composition. Daily filters retained only 0.79–0.98 µg/m3 NV submicron organic mass concentration, even though 1.8–1.9 µg/m3 non-refractory (NR) submicron organic mass concentration was measured online. The 62–64% of measured NR submicron organic mass concentration that exceeded what remained on the filters after 23-hr sampling is interpreted as semi-volatile, consistent with the moderate correlation of the NR NV difference to NR ammonium, NR nitrate, and biomass burning-related NV and NR organic factors. The association between semi-volatile organic components and ammonium nitrate likely results from both co-emission and co-evaporation. Size-resolved filter analysis showed that NV organic mass concentration accounts for 68% of NR organic mass concentration for 0.5–1 µm dry diameter but account for 9.0% for 0.18–0.5 µm dry diameter showing the differences in volatility between particle modes. Importantly, volatility of organic components was size-dependent Information Classification: General and associated with ammonium nitrate and biomass burning, providing guidance for constraining atmospheric aerosol properties in global models.

Pelayo, Christian↗

DOE OSTI2025

Direct Evidence of Multispecies Hydrodynamics in Ignition-Scale Hohlraums

A targeted experiment at the National Ignition Facility (NIF) confirms the presence of multispecies hydrodynamics in inertial confinement fusion hohlraums relevant to ignition. Here, the effects are identified by filling the gold hohlraum with a deuterium-tritium (DT) gas mixture instead of helium. As the hohlraum is heated by the NIF lasers, it implodes inward, compressing and heating the DT, which leads to fusion. The resulting DT-fusion neutrons are measured in space, time, yield, angle, and energy. A distinct, peaked, triangular shape in the radial neutron emission profile provides evidence of a “leaky piston” effect caused by the interpenetration of DT into the expanding gold. This process reduces the reversibility of DT compression and decreases neutron generation on the temporal trailing edge compared to the leading edge. These results are well described by multispecies hydrodynamics simulations, which reproduce the observed spatial and temporal features, as well as the total neutron yield and angularly resolved energy spectra. In contrast, conventional simulations that use only single-species physics fail to match the experimental data. They overpredict the neutron yield, produce a flatter-than-observed spatial profile, and show excessive emission at late times compared to the experimental measurements.

Higginson, Drew P. [Lawrence Livermore National La↗

DOE OSTI2020

ASSESSING FUEL PROPERTY EFFECTS ON CAVITATION AND EROSION PROPENSITY USING A COMPUTATIONAL FUEL SCREENING TOOL

To advance compression ignition combustion strategies, researchers have evaluated fuel property effects and their impact on achieving higher efficiencies and lower emissions levels relative to current capabilities. Within the Department of Energy's Co-Optima initiative, there has been a recent focus on understanding the influence of fuel properties on fuel injection performance. To help identify candidate fuels that can meet desired injector performance metrics, a computational fuel screening tool is under development that can link fuel properties with the tendency of a given fuel to cavitate and lead to cavitation-induced erosion. In the initial development of this tool, five liquid fuel properties were selected to represent candidate fuels, namely density, viscosity, vapor pressure, surface tension, and heat of vaporization. A design of experiments methodology was employed to generate a set of pseudo fuel cases, which can represent the main effects and interactions among the fuel properties and be related to cavitation erosion predictions. Large eddy simulations were performed using a mixture modeling approach to predict the cavitation and erosion propensity of these pseudo-fuels in terms of the mean fuel vapor mole fraction and stored impact energy from repeated cloud collapse events. The low order regression models generated from this study revealed the importance of liquid fuel density on cavitation formation, whereas liquid viscosity was found to have a strong negative correlation with erosion severity. The surrogate models were then used in the fuel screening tool to rank the cavitation and erosion tendency of four candidate single-component fuels: methyl decanoate, isooctane, ethanol and n-dodecane. While the fuel screening tool was not able to quantitatively predict the cavitation and erosion response metrics, the tool was able to accurately rank the relative cavitation and erosion propensity of the four fuels. Overall, ethanol and iso-octane were observed to produce the highest levels of cavitation and erosion, respectively.

cavitation-induced erosion↗

DOE OSTI2022

NGEE Arctic Plant Traits: Shrub Transects, Kougarok Road Mile Marker 64, Seward Peninsula, Alaska, 2016-2017

Transect data is from point center quarter (PCQ) surveys for shrub density performed in July 2016 at the Kougarok site and in July 2017 at the Kougarok, Teller, and Council sites. For each sample point along the transects, moving averages for shrub density and shrub basal area are provided along with GPS coordinates. Average shrub height and active layer depth are recorded for each sample point as well. Target shrub species differ across the transects: some surveys targeted a mixture of tall shrub species while others targeted specific species. In 2017 insect damage was also quantified. The dataset contains two *.csv data files and one *.pdf. Missing Values are represented by "NA". The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1966

Xenon forms stable compound with fluorine

Experiments show that xenon and fluorine combine readily at 400 deg C to form xenon tetrafluoride, which is colorless, crystalline, chemically stable and solid at room temperature. This process can be used for the separation of xenon from mixtures with other noble gases.

Claassen, H. H.↗

NASA NTRS1972

The photolysis of ozone

Ozone was photolyzed at 25 C with steady illumination at several wavelengths from 2288 to 2850 A, at O3 pressures from 0.1 to 2.7 torr, and at absorbed intensities from 0.15 to 65 microns/min. Experiments were done in pure dry O3, and in the presence of He, CO2, N2, H2O, H2, N2O, He-CO2, He-H2O, CO2-H2O, O2-N2O, CO2-O2, and N2O5-O2-CO2 mixtures. The results show that in the absence of added gases or in the presence of He, the quantum yield of O3 consumption is 5.5 independent of conditions, except at pressures below 0.4 torr. In the presence of CO2 or N2, ozone consumption falls toward 4.0. The primary photolytic act produces O(1 D) and siglet O2, presumably O2(1 delta), at all wavelengths below 3000 A. Relative quenching constants O(1 D) removal by various gases were measured at 2288, 2537, and 2800 A. For O3, CO2, and N2, the relative rates are 1.0/0.4 to 0.5/0.08 to 0.11 at all wavelengths. For H2O the constant at 2537 A is 1.5 relative to that for O3. With N2O, a noticeable wavelength effect is observed and the relative rate constants are 1.5, 2 to 3, 4.0 for O3 compared to N2O at 2800, 2537, and 2288 A, respectively.

Lissi, E.↗

NASA NTRS1988

Analysis of 5 KHz combustion instabilities in 40K methane/LOX combustion chambers

In 40K methane/LOX 5 KHz engine tests, (first transverse mode) combustion instabilities observed by Rocketdyne are analyzed using Heidmann and Wieber's vaporization model to include LOX flow oscillations. The LOX flow oscillations are determined by including acoustic waves in the feed system analysis. The major parameter controlling stability is the distance (or time delay) associated with atomizing the LOX stream in the coaxial injection system. Results of the analysis that show the influence of mixture ratio, oxidizer and fuel injection velocities, burning time and combustion chamber/injector dimensions on stability are used to explain the existing data. Calculated results to predict the influence of design changes being made for the next set of experiments are also presented.

Breisacher, Kevin J.↗

NASA NTRS2000

Roles of Poly(propylene Glycol) During Solvent-Based Lamination of Ceramic Green Tapes

Solvent lamination for alumina green tapes is readily accomplished using a mixture of ethanol, toluene and poly(propylene glycol). After lamination, the PPG is clearly present as a discrete film at the interface between the laminated tapes. This condition, however, does not generate delamination during firing. Systematic sets of experiments are undertaken to determine the role of PPG in the lamination process and, specifically, the mechanism by which it is redistributed during subsequent processing. PPG slowly diffuses through the organic binder film at room temperature. The PPG diffusion rapidly increases as temperature is increased to 80 C. The key to the efficiency of adhesives during green-tape lamination is mutual solubility of the nonvolatile component of the glue and the base polymeric binder.

Suppakarn, Nitinat↗

NASA NTRS2019

Shock Tube Measurements of Radiative Heating for Titan and Nitrogen

Detailed spectrally and spatially resolved radiance has been measured in the Electric Arc Shock Tube at NASA Ames Research Center for conditions relevant to Titan entry, with varying atmospheric composition, free-stream density (equivalently, altitude) and shock velocity. The test campaign measured radiation at velocities from 4.7 km/s to 8 km/s and free-stream pressures of 0.1, 0.28 and 0.47 Torr with a variety of compositions. Radiances measured in this work are substantially larger compared to that reported both in past EAST test campaigns and in other shock tube facilities. Depending on the metric used for comparison, the discrepancy can be as high as an order of magnitude. Due to the difference with previously reported data, a substantial effort was undertaken to provide confidence in the new results. The present work provides a new benchmark set of data to replace those published in previous studies. The effect of gas impurities identified in previous shock tube studies was also examined by testing in pure N2 and deliberate addition of air to the CH4/N2 mixtures. Furthermore, a test campaign in pure N2 was also conducted with the aim of providing data for improving fundamental understanding of high enthalpy flows containing N2, such as high-speed entries into Earth or Titan. These experiments cover conditions from approximately 6 km/s to 11 km/s at an initial pressure of 0.2 Torr. It is the intention of this paper to motivate code comparisons benchmarked against this data set.

Radiation↗

DOE OSTI2023

Numerical study of proppant transport and settling processes in fractures

Reservoir stimulation by creating hydraulically conductive fractures is the key step for enabling enhanced geothermal systems (EGS). The effectiveness of stimulation is significantly influenced by the deposition of proppant inside induced fractures. The transportation and settling of proppant in a propagating fracture is controlled by a multitude of operational and physical parameters, including the fracturing fluid rheology, injection rate, proppant concentration, fracture length/aperture evolution, proppant size/density/shape, etc. A numerical tool that robustly and efficiently accounts for all important attributes can facilitate the design and optimization of reservoir stimulation. This study presents the novel computational tool ELK (ELectrical fracKing) developed for the numerical simulation of proppant-fluid mixture circulation in a fractured geothermal reservoir. We enriched the MOOSE-based PorousFlow module with a suite of equations to consider the fluid-proppant mixture with particle-particle/fluid interactions, which include gravitational settling, particle convection, particle hampering, and strong density and viscosity contrasts. The computational tool is validated by comparing the predicted proppant bed evolution against two different laboratory scale experiments of proppant transport in a fixed aperture channel. Further parameter studies were performed, and the modeling results show that the proppant deposition is determined by the mixing characteristics and settling of the particles from the slurry. Concentration-dependent density and viscosity lead to an inhomogeneous distribution of the proppant, particle collision, and enhanced settling at the bottom of the fractures. Preliminary coupling with dynamic fracture propagation shows promising results and will be further developed to simulate hydraulic stimulation at high fidelity.

15 GEOTHERMAL ENERGY↗

DOE OSTI2015

Representability evaluation of fuel debris nuclear characteristics by heterogeneous core of Stacy - 14581

Decommissioning is underway in the Fukushima Daiichi Nuclear Power Station (1FNPS). Criticality control is one of the important safety issues in the decommissioning, especially during fuel debris removal. In 1FNPS, part of fuel debris might be in the form of molten-core-concrete-interaction (MCCI) product. It has been shown that the MCCI product can be critical not only under water but even with water bound in concrete. Further study of criticality characteristics by computation is being conducted to clarify its criticality risk. Furthermore, the risk assessment by computation needs validation by experiment. Japan Atomic Energy Agency is preparing critical experiments with simulated fuel debris in the Static Experiment Critical Facility (STACY), whose solution core will be converted into a new core using fuel rods and light-water moderator. It is difficult to build core configurations composed of water and fuel rods which contain homogeneous mixtures of uranium dioxide (UO{sub 2}) and structural materials of boiling light water reactors. In the modified STACY, it is being planned to simulate fuel debris by arranging UO{sub 2} fuel rods and structural material rods in water. In this study, difference in heterogeneity between the experimental core and possible fuel debris conditions is evaluated by comparing infinite multiplication factors and neutron energy spectra. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Reduction of ion backflow using a quadruple GEM detector with various gas mixtures

In gaseous tracking detectors with a large gaseous volume, like Time Projection Chambers (TPC), multiple layers of Gas Electron Multipliers (GEM) can be used to block positive ions from flowing back into the active volume, which is detrimental to the tracking performance. TPCs with multilayer GEM readout are used in the recently upgraded ALICE experiment, and in the upcoming sPHENIX experiment. In both cases, suppression of ion backflow (IBF) is important for achieving the desired detector performance. Here, we report on studies of effective gain, IBF, and energy resolution in quadruple GEM detectors, and on strategies for minimizing IBF by optimizing the operating voltages of the individual GEM layers and the potential differences between different layers. These studies are performed as baseline measurements intended to aid in the optimization of the operating conditions of the GEMs of the sPHENIX TPC.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2023

The MIGDAL experiment: Measuring a rare atomic process to aid the search for dark matter

We present the Migdal In Galactic Dark mAtter expLoration (MIGDAL) experiment aiming at the unambiguous observation and study of the so-called Migdal effect induced by fast-neutron scattering. It is hoped that this elusive atomic process can be exploited to enhance the reach of direct dark matter search experiments to lower masses, but it is still lacking experimental confirmation. Our goal is to detect the predicted atomic electron emission which is thought to accompany nuclear scattering with low, but calculable, probability, by deploying an Optical Time Projection Chamber filled with a low-pressure gas based on CF 4 . Initially, pure CF 4 will be used, and then in mixtures containing other elements employed by leading dark matter search technologies — including noble species, plus Si and Ge. High resolution track images generated by a Gas Electron Multiplier stack, together with timing information from scintillation and ionisation readout, will be used for 3D reconstruction of the characteristic event topology expected for this process — an arrangement of two tracks sharing a common vertex, with one belonging to a Migdal electron and the other to a nuclear recoil. Different energy-loss rate distributions along both tracks will be used as a powerful discrimination tool against background events. In this article we present the design of the experiment, informed by extensive particle and track simulations and detailed estimations of signal and background rates. In pure CF 4 we expect to observe 8.9 (29.3) Migdal events per calendar day of exposure to an intense D–D (D–T) neutron generator beam at the NILE facility located at the Rutherford Appleton Laboratory (UK). With our nominal assumptions, 5σ median discovery significance can be achieved in under one day with either generator.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2020

Double Chooz {theta}13 measurement via total neutron capture detection

Neutrinos were assumed to be massless particles until the discovery of the neutrino oscillation process. This phenomenon indicates that the neutrinos have non-zero masses and the mass eigenstates (nu(1), nu(2), nu(3)) are mixtures of their flavour eigenstates (nu(e), nu(mu), nu(tau)). The oscillations between different flavour eigenstates are described by three mixing angles (theta(12), theta(23), theta(13)), two differences of the squared neutrino masses of the nu(2)/nu(1) and nu(3)/nu(1) pairs and a charge conjugation parity symmetry violating phase delta(CP). The Double Chooz experiment, located near the Chooz Electricite de France reactors, measures the oscillation parameter theta(13) using reactor neutrinos. Here, the Double Chooz collaboration reports the measurement of the mixing angle theta(13) with the new total neutron capture detection technique from the full data set, yielding sin(2)(2 theta(13)) = 0.105 +/- 0.014. This measurement exploits the multidetector configuration, the isoflux baseline and data recorded when the reactors were switched off. In addition to the neutrino mixing angle measurement, Double Chooz provides a precise measurement of the reactor neutrino flux, given by the mean cross-section per fission <sigma(f)& rang; = (5.71 +/- 0.06) x 10(-43) cm(2) per fission, and reports an empirical model of the distortion in the reactor neutrino spectrum. The Double Chooz collaboration reports the neutrino oscillation parameter theta(13) from a measurement of the disappearance of reactor anti-electron neutrinos with the total neutron capture technique.

Djurcic, Z.↗