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All sourcesNASA NTRSDOE OSTI
NASA NTRS1977

The chemical composition of three planetary nebulae in the Magellanic Clouds

The paper studies the detailed spectral characteristics of the planetary nebulae N97 and N153 in the Large Magellanic Cloud (LMC), the planetary nebula N67 in the Small Magellanic Cloud (SMC), and the small H II regions N9, N61, and N81 in the SMC. Electron temperatures and densities for each nebula are derived from emission-line strengths determined by photographic spectrophotometry, and relative abundances are estimated for H, He, N, O, Ne, Ar, and S. The results show that: (1) N67 has a 60% overabundance in He/H while N97 and N153 have approximately normal He/H values; (2) all three planetaries have N/H values comparable to those of galactic planetaries but substantially higher than found in the H II regions of their respective Cloud; (3) the O/H values in the planetaries are similar to or lower than those in the H II regions of the respective Cloud; (4) the O/Ne, O/S, and O/Ar ratios in the two LMC planetaries are comparable to those in galactic planetaries; (5) the compositions of the small H II regions in the SMC are nearly identical to those of previously studied large H II regions in the same Cloud; and (6) the He/H ratio of the interstellar gas in the SMC is about 25% less than that in the Galaxy. It is concluded that most of the N abundance in both Clouds arose from nucleosynthesis sources other than planetary nebulae.

Dufour, R. J.↗
NASA NTRS1996

Results of Detailed Modeling of the Narrow-Line Region of Seyfert Galaxies

We present model line profiles of [O II] lambda3727, [Ne III] lambda3869, [O I] lambda5007, [Fe VII] lambda6087, [Fe X] lambda6374, [O I] lambda6300, H(alpha) lambda6563, and [S 2] lambda6731. The profiles presented here illustrate explicitly the pronounced effects that collisional de-excitation, and that spatial variations in both the ionization parameter and cloud column density, have on Narrow-Line Region (NLR) model profiles. The above effects were included only qualitatively in a previous analytical treatment by Moore and Cohen. By making a direct correspondence between these model profiles and the analytical model profiles of Moore and Cohen, and by comparing with the observed profiles presented in a companion paper and also with those presented elsewhere in the literature, we strengthen some of the conclusions of Moore and Cohen. Most notably, we argue for constant ionization parameter, uniformly accelerated outflow of clouds that are individually stratified in ionization, and the interpretation of emission-line width correlations with ionization potential as a column density effect. For comparison with previous observational studies, such as our own in a companion paper, we also calculate profile parameters for some of the models, and we present and discuss the resulting line width correlations with critical density (n(sub cr)) and Ionization Potential (IP). Because the models we favor are those that produce extended profile wings as observed in high spectral resolution studies, the line width correlations of our favoured models are of particular interest. Line width correlations with n(sub cr) and/or IP result only if the width parameter is more sensitive to extended profile wings than is the Full Width at Half-Maximum (FWHM). Correlations between FWHM and n(sub cr) and/or IP result only after convolving the model profiles with a broad instrumental profile that simulates the lower spectral resolution used in early observational studies. The model in agreement with the greatest number of observational considerations has electron density decreasing outward from n(sub e) approx. equals 10(exp 6)/cu cm to n(sub e) approx. equals 10(exp 2)/cu cm and, due to collisional de-excitation effects in the lowest velocity clouds, it generates broad flat-topped profile peaks in the lines of lowest critical density (e.g., [O II] lambda3727 and [S II] lambda(lambda)6716, 6731). Because the observed profile peaks of both low and high critical density lines are often very similar, our favored model requires a contribution to NLR emission-line spectra from low-velocity, low-density, and low-ionization gas not included in the model NLR.

Moore, David↗
NASA NTRS2005

Variations in the Peak Position of the 6.2 micron Interstellar Emission Feature: A Tracer of N in the Interstellar Polycyclic Aromatic Hydrocarbon Population

This paper presents the results of an investigation of the molecular characteristics that underlie the observed peak position and profile of the nominal 6.2 micron interstellar emission band generally attributed to the CC stretching vibrations of polycyclic aromatic hydrocarbons (PAHs). It begins with a summary of recent experimental and theoretical studies ofthe spectroscopic properties of large (>30 carbon atoms) PAH cations as they relate to this aspect of the astrophysical problem. It then continues with an examination of the spectroscopic properties of a number of PAH variants within the context of the interstellar 6.2 micron emission, beginning with a class of compounds known as polycyclic aromatic nitrogen heterocycles (PANHs; PAHs with one or more nitrogen atoms substituted into their carbon skeleton). In this regard, we summarize the results of recent relevant experimental studies involving a limited set of small PANHs and their cations and then report the results of a comprehensive computational study that extends that work to larger PANH cations including many nitrogen-substituted variants of coronene(+) (C24H12(+)), ovalene(+) (C32H14(+)), circumcoronene(+) (C54H18(+)), and circum-circumcoronene(+) (C96H24(+)). Finally, we report the results of more focused computational studies of selected representatives from a number of other classes of PAH variants that share one or more of the key attributes of the PANH species studied. These alternative classes of PAH variants include (1) oxygen- and silicon-substituted PAH cations; (2) PAH-metal ion complexes (metallocenes) involving the cosmically abundant elements magnesium and iron; and (3) large, asymmetric PAH cations. Overall, the studies reported here demonstrate that increasing PAH size alone is insuEcient to account for the position of the shortest wavelength interstellar 6.2 micron emission bands, as had been suggested by earlier studies. On the other hand, this work reveals that substitution of one or more nitrogen atoms within the interior of the carbon skeleton of a PAH cation induces a significant blueshift in the position of the dominant CC stretching feature of these compounds that is suf6cient to account for the position of the interstellar bands. Subsequent studies of the effects of substitution by other heteroatoms (O and Si), metal ion complexation (Fe(+), Mg(+), and Mg(2+)), and molecular symmetry variation-all of which fail to reproduce the blueshift observed in the PANH cations-indicate that N appears to be unique in its ability to accommodate the position of the interstellar 6.2 micron bands while simultaneously satisfying the other constraints of the astrophysical problem. This result implies that the peak position of the interstellar feature near 6.2 micron traces the degree of nitrogen substitution in the population, that most of the PAHs responsible for the interstellar IR emission features incorporate nitrogen within their aromatic networks, and that a lower limit of 1%-2% of the cosmic nitrogen is sequestered within the interstellar PAH population. Finally, in view of the ubiquity and abundance of interstellar PAHs and the permanent dipoles and distinctive electronic structures of these nitrogen-substituted variants, this work impacts a wide range of observational phenomena outside of the infrared region of the spectrum including the forest of unidentified molecular rotational features and the anomalous Galactic foreground emission in the microwave, and the diffuse interstellar bands (DIBs) and other structure in the interstellar extinction curve in the ulhviolet/visible. These astrophysical ramifications are discussed, and the dipole moments and rotational constants are tabulated to facilitate further investigations of the astrophysical role of nitrogen-substituted aromatic compounds.

Hudgins, Douglas M.↗
NASA NTRS1982

The ionization structure of the Ring Nebula. II - Ultraviolet observations

Good agreement is found for O and N abundances, and the importance of charge-transfer reactions to the ionization of Ne is confirmed, in UV observations of emission line intensities for four positions in the Ring Nebula that have been previously studied optically. It is noted that the C(2+) abundance inferred from the optical 4267 A recombination line is as much as 10 times brighter than that measured from the UV lines, and that this discrepancy is greatest near the central star. The most attractive explanation for this phenomenon is the resonance fluorescence due to light from the central star. Both Ne/O and C/H abundances are in good agreement with previously measured average values for planetary nebulae.

Barker, T.↗
NASA NTRS1976

H2CO emission at 2 millimeters in dark clouds

The paper reports the detection of the 2-mm emission line due to the 2(12)-1(11) transition of H2CO at two positions in the Taurus dark cloud and one position in the dark cloud L134 N. The profiles of the observed emissions are plotted, and peak radiation temperatures at 2 mm are determined for the three positions. These radiation temperatures are used along with data on the 2-mm H2CO absorption line and computed cross sections for H2-H2CO collisions to deduce the molecular hydrogen density and the ortho-H2CO column density in the two clouds. The results are shown to support previous theoretical estimates of the H2CO/H2 and the H2(C-12)O/H2(C-13)O ratios. It is concluded that if the abundances of CS and HCN in the clouds are equal to that of H2CO, emissions from these molecules should be easily detectable.

Evans, N. J., II↗
DOE OSTI2022

Core–Shell Covalently Linked Graphitic Carbon Nitride–Melamine–Resorcinol–Formaldehyde Microsphere Polymers for Efficient Photocatalytic CO 2 Reduction to Methanol

Photocatalytic reduction of CO 2 with light and H 2 O to form CH 3 OH is a promising route to mitigate carbon emissions and climate changes. Although semiconducting metal oxides are potential photocatalysts for this reaction, low photon efficiency and leaching of environmental unfriendly, toxic metals limit their applicability. Here, we report a metal-free, core-shell photocatalysts consisting of graphitic carbon nitride (g-C 3 N 4 , CN) covalently linked to melamine-resorcinol-formaldehyde (MRF) microsphere polymers for this reaction. Cova-lent linkage enabled efficient separation of photo-generated carriers and photocatalysis. Using 100 mg of a photocatalyst containing 15 wt.% CN, a CH 3 OH yield of 0.99 μmol·h -1 was achieved at a reaction temperature of 80 °C and 0.5 MPa with external quantum efficiencies ranging from 5.5% at 380 nm to 1.7% at 550 nm. The yield was about 20 and 10 times higher than that of its components CN and MRF, respectively. Characterization with XPS, TEM, and bulk and surface elemental analyses supported a core-shell structure and charge transfer at C-N bond at the CN-MRF interface between the methoxy group in the 2,4-trishydroxylmethyl-1,3-diphenol part of MRF and the terminal amino groups in the CN. This enhanced ligand-to-ligand charge transfer resulted in 67% of photo-excited internal charge transferred from CN to hy-droxymethylamino group in MRF, whose amino group was the catalytic site for CO 2 photocatalytic reduction to CH 3 OH. Furthermore, this study provides a series of new metal-free photocatalyst designs and insights into the molecular-level structure-mediated photocatalytic response

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2023

The Mid-Infrared Molecular Inventory Towards Orion IRc2

We present the first high spectral resolution mid-infrared survey in the Orion BN/KL region, covering 7.2 to 28.3μm. With SOFIA/EXES we target the enigmatic source Orion IRc2. While this is in the most prolifically studied massive star-forming region, longer wavelengths and molecular emission lines dominated previous spectral surveys. The mid-infrared observations in this work access different components and molecular species in unprecedented detail. We unambiguously identify two new kinematic components, both chemically rich with multiple molecular absorption lines. The “blue clump” has ν LSR = −7.1 ± 0.7 km s −1 and the “red clump” 1.4 ± 0.5 km s −1 . While the blue and red clump shave similar temperatures and line widths, molecular species in the blue clump have higher column densities. They are both likely linked to pure rotational H 2 emission also covered by this survey. This work provides evidence for the scenario that the blue and red clumps are distinct components unrelated to the classic components in the Orion BN/KL region. Comparison to spectroscopic surveys towards other infrared targets in the region show that the blue clump is clearly extended. We analyze, compare, and present in depth findings on the physical conditions of C 2 H 2 , 13 CCH 2 , CH 4 , CS, H 2 O, HCN, H 13 CN, HNC, NH 3 , and SO 2 absorption lines and an H 2 emission line associated with the blue and red clumps. We also provide limited analysis of H 2 O and SiO molecular emission lines towards Orion IRc2 and the atomic forbidden transitions [FeII], [SI], [SIII], and [NeII].

Atomic spectroscopy↗
NASA NTRSDate not supplied

Radiative Emission in Incident Air Shocks from 3-7 km/s

This paper reports experimental characterization of shock layer radiation in Air at low velocities (3-7 km/s) measured in the Electric Arc Shock Tube at NASA Ames Research Center. This included shock conditions from 3-5 km/s and 2-10 Torr to measure ultraviolet and mid-infrared radiation from NO and two nominal equilibrium conditions of 6 km/s, 2.0 Torr and 7 km/s, 1.4 Torr which were intended to produce 1 bar post-shock conditions and produced atomic N and O radiation along with the UV NO bands. The latter conditions are compared to similar measurements in the Oxford T6 facility and shown to have good agreement, however do not agree with measurements and simulations in equilibrium.

Radiation↗
NASA NTRS1994

ASCA observations of the coronal X-ray emission of Algol

We report a 1.7 day ASCA X-ray observation of the 2.87 day binary Algol (Beta Per), centered on the secondary eclipse. Spectra accumulated for different intensity states show a prominent He-like iron K line at 6.7 keV. A two-temperature variable abundance plasma model applied to the spectra yielded temperatures of approximately 8 and approximately 30 MK. The modeled coronal abundances of Fe, O, Mg, Si, S, Ar, and Ca were a factor of 2-3 below the solar photospheric value, and N less than 0.1. These model abundance anomalies are similar to those found from the ASCA spectra of other late-type stars and may indicate either true deviations from solar abundances or problems with the assumptions and atomic physics of the plasma models. The X-ray light curve shows a factor of 2 increase in flux over 13 hr beginning in the middle of the secondary eclipse, with a shallow eclipse centered on phase 0.45. The orbital light curve is similar to that observed by ROSAT 1 year earlier. The rise in flux is caused by an increase in the emission measure of the higher temperature component. The intensity variation is not associated with any major change in the abundances or temperature of the two components.

Antunes, A.↗
DOE OSTI2022

An indirect approach to optimize the reaction rates of thermal NO formation for diesel engines

With stringent emission regulations, it has become more important for modern diesel engine manufacturers to accurately predict engine-out nitrogen oxide (NO x ) emissions across a wide range of operating conditions. Thermal NO is the major source of engine-out NO x in modern diesel engines. For thermal NO formation, several earlier studies have recommended the forward and reverse reaction rate coefficients of the rate-limiting reaction (O + N 2 ⇌ NO + N). However, due to deficiencies in sub-models and inadequacies of reduced chemical mechanisms to represent diesel combustion, these recommended values more often than not need to be adjusted in reduced order combustion models to accurately predict engine-out NO x . Hence, in this work a systematic and computationally efficient approach has been proposed to streamline the process of determining the optimum reaction rate coefficients. Here, to develop the optimization approach, four different production diesel engines with different operating conditions in terms of speed, load, and exhaust-gas recirculation have been considered. Numerical simulations have been performed using a detailed zero-dimensional velocity-composition-frequency transported probability density function (0D-VCF-tPDF) model that uses hundreds of notional particles to capture in-cylinder stratification. Four different combinations of hydrocarbon and NO x chemical mechanisms were used to represent chemistry. It was found that for the rate-limiting reaction, the pre-exponent factors (A f1 , A r1 ) and activation energies (E A,f1 , E A,r1 ) of the forward and reverse reaction rates follow a linear band in A f1 - E A,f1 and A r1 - E A,r1 space where predicted engine-out NO x match the measured values closely. By encompassing such bands from different engines and considering constraints on activation energies, a reduced search domain of pre-exponent factors and activation energies was constructed that is expected to be applicable to any diesel engine. Eventually, computationally efficient three-line and one-line search approaches were proposed to determine the optimum values of the pre-exponent factors and activation energies that led to a minimum error between measured and predicted engine-out NO x . Finally, these three-line and one-line NO x optimization approaches were applied to a fifth production diesel engine for which the 0D-VCF-tPDF model showed a very good predictive performance in terms of predicting peak pressure, 50% burn rate, and engine-out NO x when compared to measured and 3D-CFD values.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS2003

Temperature Measurements in the Solar Transition Region Using N III Line Intensity Ratios

UV emission from B-like N and O ions a rather rare opportunity for recording spectral lines in a narrow wavelength range that can potentially be used to derive temperatures relevant to the solar transition region. In these ions, the line intensity ratios of the type (2s2p(sup 2) - 2p(sup 3)) / (2s(sup 2)2p - 2s2p(sup 2)) are very sensitive to the electron temperature. Additionally, the lines involving the ratios fall within a range of only - 12 A; in N III the lines fall in the 980 - 992 A range and in O IV in the 780 - 791 A range. In this work, we explore the use of these atomic systems, primarily in N III, for temperature diagnostics of the transition region by analyzing UV spectra obtained by the Solar Ultraviolet Measurements of Emitted Radiation (SUMER) spectrometer flown on the Solar and Heliospheric Observatory (SOHO). The N III temperature-sensitive line ratios are measured in more than 60 observations. Most of the measured ratios correspond to temperatures in the range 5.7x10(exp 4) - 6.7x10(exp 4) K. This range is considerably lower than the calculated temperature of maximum abundance of N III, which is approx. 7.6x10(exp 4) K. Detailed analysis of the spectra further indicates that the measured ratios are probably somewhat overestimated due to resonant scattering effects in the 2s(sup 2)2p - 2s2p(sup 2) lines and small blends in the 2s2p(sup 2) - 2p3 lines. Actual lower ratios would only increase the disagreement between the ionization balance calculations and present temperature measurements based on a collisional excitation model. In the case of the O IV spectra, we determined that due to the close proximity in wavelength of the weak line (2s2p(sup 2)-2p3 transitions) to a strong Ne VIII line, sufficiently accurate ratio measurements cannot be obtained. Subject headings: atomic data --- atomic processes --- Sun: transition region --- Sun: U V radiation --- techniques: spectroscopic

Doron, R.↗
DOE OSTI2025

Rb 4 CuSb 2 Cl 11 and Rb 2 In 0.91(0.2) Sb 0.09 Cl 5 ·H 2 O: Wide Band Gap 0D Metal Halide Semiconductors

Herein, we report the discovery, structural and photophysical characterization of a new zero-dimensional (0D) lead-free all-inorganic halide, Rb 4 CuSb 2 Cl 11 , which adopts a new structure type. Single-crystal X-ray diffraction (SCXRD) shows that the structure consists of isolated, distorted seesaw [SbCl 4 ] − and trigonal planar [CuCl 3 ] 2− units, separated by Rb + cations that provide charge balance. Optoelectronic measurements and density functional theory (DFT) calculations indicate an indirect band gap of 2.89 eV, making it a candidate for wide-bandgap optoelectronic applications. Electrical resistivity was measured at 1.29 × 10 10 Ω·cm, and the trap-state density (n trap ) was found to be 7.44 × 10 10 cm −3 . Attempts to synthesize substitution analogs of Rb 4 CuSb 2 Cl 11 led to the synthesis of Rb 2 In 0.91(0.2) Sb 0.09 Cl 5 ·H 2 O, which was erroneously reported as Rb 2 SbCl 5 O in a previous study. Rb 2 In 0.91(0.2) Sb 0.09 Cl 5 ·H 2 O adopts a vacancyordered perovskite structure and exhibits broad-band yellow emission under UV excitation. The measured photoluminescence quantum yield (PLQY) for Rb 2 In 0.91 (0.2)Sb 0.09 Cl 5 ·H 2 O is 18.2%. These findings add to the growing class of quaternary metal halides with multiple cation and anion compositions, expanding the chemical phase space for the discovery of new materials with functional properties.

Crystal structure↗
DOE OSTI2022

Achieving superior carbon transfer efficiency and pH control using membrane carbonation with a wide range of CO 2 contents for the coccolithophore Emiliania huxleyi

The economic viability of microalgal-derived products relies on rapid CO 2 transfer in a cost-effective manner. Many industrial gas streams contain concentrated CO 2 that, if converted to useful products, would lower greenhouse gas emissions and valorize the wasted CO 2 . Membrane carbonation (MC) uses non-porous hollow-fiber gas-transfer membranes to deliver CO 2 without bubble formation, which makes it possible to achieve a high carbon-transfer efficiency (CTE). However, inert gasses in the industrial streams (e.g., N 2 , O 2 , and H 2 O) can significantly lower the CO 2 -delivery rate. The means to overcome the buildup of inert gases in the membrane lumen is to manage the distal end of the membranes to sweep out inert gases while not wasting significant CO 2 . A MC-venting strategy was evaluated for CO 2 inputs from 5% to 100%. Abiotic tests using a restricted exit flow could achieve >95% CTE abiotic for industrial CO 2 streams. When integrated with semi-continuous cultivation of a marine coccolithophore, Emiliania huxleyi , CO 2 delivery and venting were on-demand based on a pH set points and pH-actuated feed and venting valves. MC using the venting strategy achieved 100% CTE biotic when delivering 100% and 50% CO 2 , which was better than 50% CTE biotic obtained from pH-controlled sparging of 100% CO 2 -sparging. E. huxleyi consistently fixed ~80% of the delivered CO 2 into biomass, and the remaining ~20% to calcite coccoliths. Finally, the compact size of MC modules, stable pH control, and no shear forces from bubble agitation during the CO 2 delivery made MC an ideal match for cultivation of coccolithophores, which are sensitive to shear forces and pH fluctuations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Metal Oxynitrides for the Electrocatalytic Reduction of Nitrogen to Ammonia

The successful deployment of technologies for the electrocatalytic nitrogen reduction reaction (e-NRR) to synthesize ammonia would enable distributed ammonia production with lower greenhouse gas emissions compared to the Haber–Bosch process. However, electrocatalysts that can readily activate N 2 , promote selective ammonia formation over the competing hydrogen evolution reaction, and maintain stability under reaction conditions are needed to enable this technology. Herein, we give our perspective on metal oxynitrides (A x B y O w N z ) as an emerging and underexplored materials class for e-NRR. Furthermore, we contrast the activity, selectivity, and stability of metal oxynitrides with those of their metal nitride and metal oxide counterparts. We discuss the different possible e-NRR reaction mechanisms on metal oxynitrides, emphasize challenges related to using metal oxynitrides for e-NRR, and provide an outlook for future research. Ultimately, the huge design space of metal oxynitrides is ripe for exploration to find catalyst formulations that overcome some of the limitations of traditional metal oxides and metal nitrides for e-NRR.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Fluidized-Bed Gasification of Coal-Biomass-Plastics for Hydrogen Production

Coal is one of the most abundant fossil energy resources in the United States and in the world. The recoverable reserves in the United States are estimated to be about 252 billion tons – more than 350 years of supply at current rates of usage. However, the share of coal in total primary energy consumption in the US has been declining over the years. The decline of coal is mainly attributed to cheap natural gas and precipitous declines in the cost of electricity production from renewable technologies such as wind and solar. Coal can potentially be used if it is coupled with carbon-neutral feedstock such as biomass-agricultural residues, forest biomass, and forest residues. Co-gasification of coal and biomass can become a negative carbon emission technology if the carbon dioxide (CO 2 ) is captured and sequestered. Although the biomass gasification process has a lot of similarities to coal gasification, the large-scale adaptation of power production sourced from biomass has not come to fruition. The main reason is that the power production from biomass is still expensive when compared with natural gas or coal power technologies. To address the feedstock cost, one approach is to use low-cost feedstocks, such as municipal solid wastes (MSW) or plastics, for gasification. Gasification involves the partial oxidation of coal and/or biomass feedstocks to produce a combustible fuel called synthesis gas (syngas) which is composed of carbon monoxide (CO), hydrogen (H 2 ), CO 2 , methane (CH 4 ), nitrogen (N 2 ), water (H 2 O), and other compounds that might be considered as contaminants. Raw syngas from gasification must go through multiple steps to produce high-purity hydrogen. The specific steps depend upon the quality (gas composition, contaminants, and their concentration) and condition (pressure and temperature) of syngas. The long-term goal of the project was to utilize coal and plastics together with biomass to produce energy and fuels using a gasification platform while reducing greenhouse gas emissions. The main objective of this research was to examine gasification performance in a laboratory-scale fluidized-bed gasifier for hydrogen production. The specific objectives of the research were to: (i) study coal-plastic-biomass mixture flowability for consistent feeding in the gasifier; (ii) understand the gasification behavior of the mixture in steam and oxygen environments; (iii) perform thermal property characterization of ash and slag from the mixture feedstock and refractory-ash interface of the mixture under gasification conditions; and (iv) develop process models to determine the technology needed for syngas cleanup and contaminants. The study found that there was no apparent segregation when biomass, coal, and waste plastics were mixed together during feeding. Although there were differences in hydrogen production when individual feedstock were fed, the hydrogen concentration remained almost constant with various blends. Therefore, blending waste plastics with biomass and coal, which are all abundant, is a better approach for energy production. Results of the techno-economic analysis suggested that integration of advanced gasification (GTI’s R-GAS™) and syngas cleanup and conditioning technologies (RTI’s WDP and AFWGS) for clean hydrogen production resulted in substantial benefits, including significant capital cost and operating cost reductions. Advanced technologies resulted in 16% reduction in the hydrogen production cost (COH) from 2.94 $\$$/kg to 2.47 $\$$/g, with further scope for optimization and cost reduction. These advanced technologies also result in lower emissions, and improved energy efficiency.

01 COAL, LIGNITE, AND PEAT↗
NASA NTRS1992

Further analysis of LDEF FRECOPA micrometeroid remnants

Experiments dedicated to the detection of interplanetary dust particles (IDP's) were exposed within the FRECOPA payload, installed on the face of the LDEF directly opposed to the velocity vector (west facing direction, location B3). We were mainly interested in the analysis of hypervelocity impact features of sizes less than or = 10 microns, found in thick Al targets devoted to the research of impact features. In the 15 craters found in the scanned area (approximately 4 sq. cm), the chemical analysis suggests an extraterrestrial origin for the impacting particles. The main elements we identified are usually refered to as chondrite elements: Na, Mg, Si, S, Ca, and Fe are found in various proportions, intrinsic Al being masked by the Al target; we notice a strong depletion in Ni, never observed in our samples. Furthermore, C and O are present in 90 percent of the cases; the C/O peak height ratio varies from 0.1 to 3. Impactor simulations by light gas gun hypervelocity impact experiments have shown that meaningful biogenic element and compound information maybe obtained from IDP residues below impacts of critical velocities, that are less than or = 4 km/sec for particles larger than 100 microns in diameter. Our results obtained for the smaller size fraction IDP's suggest that at such sizes, the critical velocity could be higher by a factor of 2 or 3, as chemical analysis of the remnants were possible in all the identified impact craters, performed on targets possibly hit at velocities greater than or = 7.5 km/s, which is the spacecraft velocity. These samples are now subjected to an imagery and analytical protocol that includes FESEM (field emission scanning electron microscopy) and LIMS (laser ionization mass spectrometry). The LIMS analyses were performed using the LIMA-ZA instrument. Results are presented, clearly indicating that such small events show crater features analogous to what is observed at larger sizes; our first analytical results, obtained for 2 events (P6 and P10) suggest that N is present in the IDP's remnants in which C and O were identified by EDX analysis. In one case (P6), enrichment in K and P is observed. Surface contamination by NaCl is evident on the FRECOPA surfaces.

Borg, J.↗
DOE OSTI2025

Characterization of proton-induced damage in thick, p-channel skipper-CCDs

Here, in this work, we characterize the radiation-induced damage in two thick, p-channel skipper-CCDs irradiated unbiased and at room temperature with 217-MeV protons. We evaluate the overall performance of the sensors and demonstrate their single-electron/single-photon sensitivity after receiving a fluence on the order of 10 10 protons/cm 2 . Using the pocket-pumping technique, we quantify and characterize the proton-induced defects from displacement damage. We report an overall trap density of 0.134 traps/pixel for a displacement damage dose of 2.3 × 10 7 MeV/g. Three main proton-induced trap species were identified, V 2 , C i O i and V n O m , and their characteristic trap energies and cross sections were extracted. We found that while divacancies are the most common proton-induced defects, C i O i defects have a greater impact on charge integrity at typical operating temperatures because their emission-time constants are comparable or larger than typical readout times. To estimate ionization damage, we measure the characteristic output transistor curves. We found no threshold voltage shifts after irradiation. Our results highlight the potential of skipper-CCDs for applications requiring high-radiation tolerance and can be used to find the operating conditions in which effects of radiation-induced damage are mitigated.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Molecular dynamics simulations of energy accommodation between gases and polymers for ultra-low thermal conductivity insulation

Determining the energy accommodation between gases and solids is essential to developing porous thermal insulation materials with ultra-low effective thermal conductivity that reduce energy use, greenhouse gas emissions, and fossil fuel consumption. The energy accommodation coefficients of most gases, however, have been rarely studied, especially with respect to solids that have relatively high thermal resistivity, e.g., polymers. Here, by using all-atom nonequilibrium molecular dynamics simulations, we reveal the accommodation coefficients of He, Ar, N 2 , and O 2 with polymers, mainly polystyrene. We find that their values are around 0.51, 0.72, 0.79, and 0.90, respectively, suggesting a critical reexamination of the commonly used theoretical maximum value of 1. We have also conducted experiments and validated the value for air, which is about 0.81. Such a change in accommodation coefficients can lead to a reduction of about 70%, 50%, 35%, and 20% in the thermal conductivity of He, Ar, N 2 , and O 2 gases in nano pores (below 100 nm) or at low pressures (below 1 millibar). With these new accommodation coefficients, we find that in a 10 nm pore with ambient pressure at 300 K, the gas thermal conductivity of He, Ar, N 2 , and O 2 in porous polystyrene can be as low as 9.7 × 10 –4 , 3.4 × 10 –4 , 7.3 × 10 –4 , and 8.5 × 10 –4 W·m –1 ·K –1 , respectively, which are two to three orders of magnitude lower than their bulk values, promising higher thermal resistivity of insulation materials. This work reveals the fundamental energy exchange between gases and polymers, providing important guidance for designing high-performance thermal insulation materials for various applications.

36 MATERIALS SCIENCE↗