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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 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Effect of amine type on acidic toxic gas adsorption at ambient conditions on modified CuBTC

We report two amine-modified copper-based Metal Organic Frameworks (MOF (CuBTC)) of different surface chemical and textural features were synthesized and used as adsorbents of acidic toxic gases (NO 2 and H 2 S) in both moist (71% relative humidity (R.H.)) and dry conditions. The initial and exhausted samples were characterized by nitrogen adsorption, powder X-ray diffraction, scanning electron microscopy, thermal gravimetric analysis and Fourier transform infrared spectroscopy. The addition of melamine prevented full growth of CuBTC crystals and resulted in amorphous-like particles with sizes less than 200 nm. The material was non-porous with a small surface area. When urea was used as an amine source, the resulting particles maintained the overall octahedral shape of the parent CuBTC MOF and the material was more porous than the parent MOF. While the urea-modified CuBTC sample performed well as an NO 2 adsorbent in the presence of moisture, the reactivity of the melamine-modified sample and its physical properties provided a favorable environment for the removal of H 2 S. The incorporation of amines into the MOF structure also resulted in surface defects /open copper sites that favored the removal of toxic gases in dry conditions. The reactivity of the adsorbents with toxic gases was demonstrated by the changes in the adsorbent colors, in texture, and in surface chemistry (organic salts, complexes, sulfides and nitrates were formed).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

A Monte Carlo Approach to Approximating the Effects of Pore Geometry on the Phase Behavior of Soil Freezing

Abstract Freezing in porous media is associated with a host of dynamic phenomena that stem from the presence and mobility of premelted liquid at subzero temperatures. Accurate assessments of the progressive liquid‐ice phase transition is required for predictive models of frost damage, glacier‐till coupling, and many other cold regions processes, as well as for evaluating the capacity for water storage in near‐surface extraterrestrial environments. We use a Monte Carlo approach to sample the pore space in a synthetic 3D packing of poly‐dispersed spherical particles and evaluate local geometrical constraints that allow us to assess changes in the relative proportions of pore fluid and ice. By approximating the phase boundary geometry in fine‐grained pores while considering both the curvature of the liquid‐ice interface and wetting interactions with matrix particles, our model predicts changes in phase equilibrium in granular media over a broad temperature range, where present accounting for the colligative effects of chloride and perchlorate solutes. In addition to formulating the constitutive behavior needed to better understand properties and processes in frozen soils, our results also provide insight into other aspects of phase equilibria in porous media, including the formation of methane hydrates in permafrost and marine sediments, and the partitioning between liquid water and vapor in the vadose zone.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Support modification by phosphonic acid ligands controls ethylene hydroformylation on single-atom rhodium sites

To investigate the ability of surface-bound ligands to control activity toward ethylene hydroformylation, we modified site-isolated Rh 1 /TiO 2 with a series of substituted benzyl phosphonic acids. We found that modification of the support by phosphonic acids reduced break-in times for hydroformylation by 4× and increased absolute hydroformylation activity by up to 18× compared to unmodified catalyst at 150 °C. All functionalized catalysts improved hydroformylation activity by at least 9× and improved selectivity by between 7× and 60× relative to the unmodified catalyst. Carbon monoxide probe–molecule spectroscopy indicated that the enhancements in activity among modified samples were due to changes in the local environment of the active Rh site. Specifically, the bite angle of adsorbed carbon monoxide, as determined from infrared spectra, correlated with hydroformylation activity. These findings demonstrate that Rh 1 active sites are highly sensitive to modification of the support with organic ligands.

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

Local order and the dependence of magnetization on Co content in V{sub 2}O{sub 5} layered films

Local order, electronic structure, and magnetic properties of Co-doped VO{sub x} films electrochemically grown onto Si are investigated. The films are studied by means of X-ray absorption spectroscopy (XAS) and magnetic measurements. Freshly made films have V{sub 2}O{sub 5}·n(H{sub 2}O) structure with vanadium valence close to +5. XAS data show that insertion of Co in the films does not affect the close environment around V, when compared to the undoped sample, even varying the concentration of Co by ten times. The site symmetry of Co dopant atoms in the films is consistent with an octahedral coordination where Co is surrounded by six oxygen atoms, as supported by X-ray absorption near-edge structure simulations. Furthermore, there is no evidence of the presence of metallic cobalt (Co{sup 0}) in the films. The incorporation of small amounts of Co turns ferromagnetic undoped samples into paramagnetic ones. The net magnetic moment per unit volume initially decreases with the incorporation of Co and enhances for higher concentrations. Such behavior is consistent with an O vacancy reduction process driven by the insertion of Co in the films.

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

High temperature x-ray micro-tomography

There is increasing demand for 3D micro-scale time-resolved imaging of samples in realistic - and in many cases extreme environments. The data is used to understand material response, validate and refine computational models which, in turn, can be used to reduce development time for new materials and processes. Here we present the results of high temperature experiments carried out at the x-ray micro-tomography beamline 8.3.2 at the Advanced Light Source. The themes involve material failure and processing at temperatures up to 1750°C. The experimental configurations required to achieve the requisite conditions for imaging are described, with examples of ceramic matrix composites, spacecraft ablative heat shields and nuclear reactor core Gilsocarbon graphite.

43 PARTICLE ACCELERATORS↗
DOE OSTI2019

Quantitative infrared spectroscopy of environmentally sensitive and rough materials

Fourier transform infrared (FTIR) spectroscopy is a widely used characterization technique for studying chemical compositions and lightmatter interactions in the infrared range. However, it remains challenging to use conventional FTIR equipment to characterize materials that are environmentally sensitive and/or have rough surfaces due to their dynamic response to external stimuli (e.g., humidity) and light scattering from the sample surface. Here, we describe an approach enabling quantitative infrared spectroscopy measurements of these challenging samples, including transmittance, reflectance, and emissivity. We designed and 3D-printed a miniaturized environmental chamber that can be directly inserted into the sample holder of a conventional integrating sphere to perform total transmission and reflection measurements in controlled environments. Moreover, a calibration method was developed to exclude light scattering from rough surfaces of the sample and the distortion created by infrared windows. To illustrate the potential application of this method, we have performed quantitative infrared measurements, both specular and diffusive, on a sapphire standard reference with a specular surface, as well as a textile sample that has a rough surface and is dynamically responsive to changes in humidity. The calibrated results measured with the equipped chamber match those measured without the IR windows, demonstrating the viability of our environmental chamber and the proposed calibration method. This quantitative infrared spectroscopy measurement technique may help advance fields such as metasurfaces and adaptive textiles, where samples are often rough, dynamically responsive, and/or environmentally sensitive.

3D printing↗
DOE OSTI2015

COMPUTATIONAL MODELING OF THE CLASS I LOW-MASS PROTOSTAR ELIAS 29 APPLYING OPTICAL CONSTANTS OF ICES PROCESSED BY HIGH ENERGY COSMIC RAY ANALOGS

We present a study of the effects of high energy cosmic rays (CRs) over the astrophysical ices, observed toward the embedded class I protostar Elias 29, by using computational modeling and laboratory data. Its spectrum was observed with the Infrared Space Observatory (ISO) covering 2.3–190 μm. The modeling employed the three-dimensional Monte Carlo radiative transfer code RADMC-3D and laboratory data of bombarded ice grains by CR analogs and unprocessed ices (not bombarded). We are assuming that Elias 29 has a self-irradiated disk with inclination i = 60.°0, surrounded by an envelope with a bipolar cavity. The results show that absorption features toward Elias 29 are better reproduced by assuming a combination between unprocessed astrophysical ices at low temperature (H{sub 2}O, CO, CO{sub 2}) and bombarded ices (H{sub 2}O:CO{sub 2}) by high energy CRs. Evidences of the ice processing around Elias 29 can be observed by the good fitting around 5.5–8.0 μm, by polar and apolar ice segregation in 15.15–15.25 μm, and by the presence of the CH{sub 4} and HCOOH ices. Given that non-nitrogen compounds were employed in this work, we assume that absorption around 5.5–8.0 μm should not be associated with the NH{sub 4}{sup +} ion (see the 2003 work of Shutte and Khanna ), but more probably with aliphatic ethers (e.g., R1-OCH{sub 2}-R2), CH{sub 3}CHO, and related species. The results obtained in this paper are important because they show that the environment around protostars is better modeled considering processed samples and, consequently, demonstrate the chemical evolution of the astrophysical ices.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Visible emission spectra of thermographic phosphors under x-ray excitation

Thermographic phosphors have been employed for temperature sensing in challenging environments, such as on surfaces or within solid samples exposed to dynamic heating, because of the high temporal and spatial resolution that can be achieved using this approach. Typically, UV light sources are employed to induce temperature-sensitive spectral responses from the phosphors. However, it would be beneficial to explore x-rays as an alternate excitation source to facilitate simultaneous x-ray imaging of material deformation and temperature of heated samples and to reduce UV absorption within solid samples being investigated. Here, the phosphors BaMgAl 10 O 17 :Eu (BAM), Y 2 SiO 5 :Ce, YAG:Dy, La 2 O 2 S:Eu, ZnGa 2 O 4 :Mn, Mg 3 F 2 GeO 4 :Mn, Gd 2 O 2 S:Tb, and ZnO were excited using incident synchrotron x-ray radiation. These materials were chosen to include conventional thermographic phosphors as well as x-ray scintillators (with crossover between these two categories). X-ray-induced thermographic behavior was explored through the measurement of visible spectral response with varying temperature. The incident x-rays were observed to excite the same electronic energy level transitions in these phosphors as UV excitation. Similar shifts in the spectral response of BAM, Y 2 SiO 5 :Ce, YAG:Dy, La 2 O 2 S:Eu, ZnGa 2 O 4 :Mn, Mg 3 F 2 GeO 4 :Mn, and Gd 2 O 2 S:Tb were observed when compared to their response to UV excitation found in literature. Some phosphors were observed to thermally quench in the temperature ranges tested here, while the response from others did not rise above background noise levels. This may be attributed to the increased probability of non-radiative energy release from these phosphors due to the high energy of the incident x-rays. These results indicate that x-rays can serve as a viable excitation source for phosphor thermometry.

42 ENGINEERING↗
DOE OSTI2023

Radiation tolerance studies of the HV-mux GaNFETs for the HL-LHC ATLAS ITk Strip detector

For the High-Luminosity upgrade of the LHC, the current ATLAS inner detector will be replaced with a new silicon charged-particle tracker, the ITk, which consists of the ITk Pixel and the ITk Strip subdetector. The high voltage multiplexing (HV-Mux) GaNFETs are radiation-tolerant transistors that permit switching off high voltage to malfunctioning sensors on the ITk Strip modules. To ensure the reliability of the GaNFETs in the high radiation environment expected at the HL-LHC, a sample of the production batch was exposed to gamma radiation. Finally, the GaNFETs were characterized pre-irradiation and post-irradiation, and monitored during irradiation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Pathogenic budding yeasts isolated outside of clinical settings

Budding yeasts are distributed across a wide range of habitats, including as human commensals. However, under some conditions, these commensals can cause superficial, invasive, and even lethal infections. Despite their importance to human health, little is known about the ecology of these opportunistic pathogens, aside from their associations with mammals and clinical environments. During a survey of approximately 1000 non-clinical samples across the United States of America, we isolated 54 strains of budding yeast species considered opportunistic pathogens, including Candida albicans and Candida (Nakaseomyces) glabrata . We report that, as a group, pathogenic yeasts were positively associated with fruits and soil environments, whereas the species Pichia kudriavzevii (syn. Candida krusei syn. Issatchenkia orientalis ) had a significant association with plants. Of the four species that cause 95% of candidiasis, we found a positive association with soil. These results indicate that pathogenic yeast ecology is more complex and diverse than is currently appreciated and raises the possibility that these additional environments could be a point of contact for human infections.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Clash of Titans: the impact of cluster mergers in the galaxy cluster red sequence

ABSTRACT Merging of galaxy clusters are some of the most energetic events in the Universe, and they provide a unique environment to study galaxy evolution. We use a sample of 84 merging and relaxed SPT galaxy clusters candidates, observed with the Dark Energy Camera in the 0.11 < z < 0.88 redshift range, to build colour–magnitude diagrams to characterize the impact of cluster mergers on the galaxy population. We divided the sample between relaxed and disturbed, and in two redshifts bin at z = 0.55. When comparing the high-z to low-z clusters we find the high-z sample is richer in blue galaxies, independently of the cluster dynamical state. In the high-z bin, we find that disturbed clusters exhibit a larger scatter in the red sequence, with wider distribution and an excess of bluer galaxies compared to relaxed clusters, while in the low-z bin we find a complete agreement between the relaxed and disturbed clusters. Our results support the scenario in which massive cluster halos at z < 0.55 galaxies are quenched as satellites of another structure, i.e. outside the cluster, while at z ≥ 0.55 the quenching is dominated by in situ processes.

Aldás, Franklin (ORCID:0000000290215114)↗
DOE OSTI2018

Crystal field excitations from Yb 3 + ions at defective sites in highly stuffed Yb 2 Ti 2 O 7

The pyrochlore magnet Yb 2 Ti 2 O 7 has been proposed as a quantum spin ice candidate, a spin liquid state expected to display emergent quantum electrodynamics with gauge photons among its elementary excitations. However, Yb 2 Ti 2 O 7 's ground state is known to be very sensitive to its precise stoichiometry. Powder samples, produced by solid-state synthesis at relatively low temperatures, tend to be stoichiometric, while single crystals grown from the melt tend to display weak “stuffing” wherein ~2% of the Yb 3+ , normally at the A site of the A 2 B 2 O 7 pyrochlore structure, reside as well at the B site. In these samples Yb 3+ ions should exist in defective environments at low levels and be subjected to crystalline electric fields very different from those at the stoichiometric A sites. Neutron scattering measurements of Yb 3+ in four compositions of Yb 2+x Ti 2-x O 7-y show the spectroscopic signatures for these defective Yb 3+ ions and explicitly demonstrate that the spin anisotropy of the Yb 3+ moment changes from XY-like for stoichiometric Yb 3+ to Ising-like for “stuffed” B site Yb 3+ or for A site Yb 3+ in the presence of oxygen vacancies.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Spatial imaging of proton via leading-twist nonskewed GPDs with basis light-front quantization

The internal image of the proton is unveiled by examining the generalized parton distributions (GPDs) at zero skewness, within the basis light-front quantized environment. Several distributions emerge when a quark is sampled with different currents depending upon the helicity arrangements of the active quark and the proton target. We investigate six of the eight leading-twist proton GPDs of the valence quarks, the helicity conserving distributions ( H , E , H ˜ ) and the helicity nonconserving ( H T , E T , H ˜ T ) distributions at skewness set to zero ( ζ = 0 ). We consider purely transverse momentum transfer and, hence, obtain results describe only the proton’s two-dimensional structure in the transverse plane. We present the Mellin moments of these distribution functions, where the first moment produces a form factor and the second Mellin moments help extract the information on partonic contributions to the hadronic angular momentum. We compare our results for the Mellin moments with those from lattice QCD and other approaches where available. We also present the GPDs in transverse position space. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2015

First Results of the SRF Wafer Test Cavity for the Characterization of Superconductors

The wafer test cavity was designed as a short sample test system that could create a reproducible environment for the testing of superconducting materials above the Bardeen-Cooper- Schrieffer limit of niobium. The results of the sapphire test cavity showed that the dielectric was too lossy, and thus, the original design had to be altered to make operation feasible with current hardware and achieve ~200 mT. The new design was fabricated at Thomas Jefferson National Accelerator Facility and was cryogenically tested. After four tests, the cavity was able to produce a 6.6-mT field with a Q of 3.96 * 108. Although lower than anticipated, in comparison to other TE01 cavities, this result is quite encouraging. Multipacting and coupling were limitations, but current work is pursuing the elimination of these complications. This document will expound upon the new design, mathematical simulations, testing of the cavity, complications, results, and future work.

Pogue, Nathaniel J.↗
DOE OSTI2025

Scanning transmission x-ray microscopy (STXM) of plutonium oxide

Scanning transmission x-ray microscopy was used to examine plutonium oxide particles formed by the corrosion of δ-phase plutonium alloy under high-humidity conditions. O K-edge spectra collected from eight distinct particles displayed significant spectral differences, revealing heterogeneity in oxidation states within a single sample batch. Here, this variation suggests complex chemical environments and formation histories, which are important considerations for nuclear forensic investigations. These findings highlight both the potential of synchrotron-based x-ray microscopy for nondestructive, high-resolution analysis of nuclear materials and the need for expanded reference datasets to improve the interpretation and forensic utility of such measurements.

organic↗
DOE OSTI2018

Eu{sup 3+} As a Luminescent Probe for Studying the Structure of R{sub 2}O{sub 3} Materials (R = Y, Eu, and Gd)

Spectra of Eu{sup 3+} in various dielectric matrices (Gd{sub 2}O{sub 3}:Eu{sup 3+}, Y{sub 2}O{sub 3}:Eu{sup 3+}, Eu{sub 2}O{sub 3}, and mSiO{sub 2}/Gd{sub 2}O{sub 3}:Eu{sup 3+} mesoporous particles) are studied by local cathodoluminescence. The results allowed identification of the local environment of Er{sup 3+} ions in amorphous samples and detection of the monoclinic Eu{sub 2}O{sub 3} phase impurity in samples with yttrium oxide. The cathodoluminescence spectra of chemically pure Y{sub 2}O{sub 3}, Eu{sub 2}O{sub 3}, and Gd{sub 2}O{sub 3} are recorded. Conclusions about the structural features of the materials are made and confirmed by other methods (XRD and EPMA).

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

A Statistical Evaluation of WRF-LES Trace Gas Dispersion Using Project Prairie Grass Measurements

In recent years, new measurement systems have been deployed to monitor and quantify methane emissions from the natural gas sector. Large-eddy simulation (LES) has complemented measurement campaigns by serving as a controlled environment in which to study plume dynamics and sampling strategies. However, with few comparisons with controlled-release experiments, the accuracy of LES for modeling natural gas emissions is poorly characterized. In this paper, we evaluate LES from the Weather Research and Forecasting (WRF) Model against Project Prairie Grass campaign measurements and surface layer similarity theory. Using WRF-LES, we simulate continuous emissions from 30 near-surface trace gas sources in two stability regimes: strong convection and weak convection. We examine the impact of grid resolutions ranging from 6.25 to 52 m in the horizontal dimension on model results. We evaluate performance in a statistical framework, calculating fractional bias and conducting Welch’s t tests. WRF-LES accurately simulates observed surface concentrations at 100 m and beyond under strong convection; simulated concentrations pass t tests in this region irrespective of grid resolution. However, in weakly convective conditions with strong winds, WRF-LES substantially overpredicts concentrations—the magnitude of fractional bias often exceeds 30%, and all but one t test fails. The good performance of WRF-LES under strong convection correlates with agreement with local free convection theory and a minimal amount of parameterized turbulent kinetic energy. The poor performance under weak convection corresponds to misalignment with Monin–Obukhov similarity theory and a significant amount of parameterized turbulent kinetic energy.

17 WIND ENERGY↗