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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Functionalized NU-1000 with an Iridium Organometallic Fragment: SO 2 Capture Enhancement

In this study, a new material, MOF-type [Ir]@NU-1000, was accessed from the incorporation of the iridium organometallic fragment [Ir{κ 3 (P,Si,Si)PhP(o-C 6 H 4 CH 2 Si i Pr 2 ) 2 }] into NU-1000. The new material incorporates less than 1 wt % of Ir(III) (molar ratio Ir to NU-1000, 1:11), but the heat of adsorption for SO 2 is significantly enhanced with respect to that of NU-1000. Being a highly promising adsorbent for SO 2 capture, [Ir]@NU-1000 combines exceptional SO 2 uptake at room temperature and outstanding cyclability. Additionally, it is stable and can be regenerated after SO 2 desorption at low temperature.

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

Final results on the $$0\nu \beta \beta $$ decay half-life limit of $$^{100}$$Mo from the CUPID-Mo experiment

Abstract The CUPID-Mo experiment to search for 0 $$\nu \beta \beta $$ ν β β decay in $$^{100}$$ 100 Mo has been recently completed after about 1.5 years of operation at Laboratoire Souterrain de Modane (France). It served as a demonstrator for CUPID, a next generation 0 $$\nu \beta \beta $$ ν β β decay experiment. CUPID-Mo was comprised of 20 enriched $$\hbox {Li}_{{2}}$$ Li 2 $$^{100}$$ 100 $$\hbox {MoO}_4$$ MoO 4 scintillating calorimeters, each with a mass of $$\sim 0.2$$ ∼ 0.2 kg, operated at $$\sim 20$$ ∼ 20 mK. We present here the final analysis with the full exposure of CUPID-Mo ( $$^{100}$$ 100 Mo exposure of 1.47 $$\hbox {kg} \times \hbox {year}$$ kg × year ) used to search for lepton number violation via 0 $$\nu \beta \beta $$ ν β β decay. We report on various analysis improvements since the previous result on a subset of data, reprocessing all data with these new techniques. We observe zero events in the region of interest and set a new limit on the $$^{100}$$ 100 Mo 0 $$\nu \beta \beta $$ ν β β decay half-life of $$T_{1/2}^{0\nu }$$ T 1 / 2 0 ν $$> {1.8}\times 10^{24}$$ > 1.8 × 10 24 year (stat. + syst.) at 90% CI. Under the light Majorana neutrino exchange mechanism this corresponds to an effective Majorana neutrino mass of $$\left $$ m β β $$<~{(0.28{-}0.49)} $$ < ( 0.28 - 0.49 ) eV, dependent upon the nuclear matrix element utilized.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Search for Heavy Neutral Leptons at the MINER$\nu$A detector

Heavy Neutral Leptons (HNL) are particles hypothesised to provide a mass generation mechanism for the active (observed) neutrino species, which are known to have nonzero mass from the definitive observation of neutrino oscillations. HNL are eigenstates of mass of the order $\mathcal{O}(0.1 − 1\,\,\mathrm{GeV}/c^{2})$, which mix into the active flavour eigenstates through the extended leptonic mixing matrix. Apart from neutrino mass, they could provide a natural dark matter candidate and a mechanism for matter-antimatter asymmetry in the early Universe, giving rise to today’s matter-dominated cosmos. Searches for HNL typically attempt to either confirm the existence of HNL through an excess in data that is most compatible with an HNL hypothesis, or by setting limits on the HNL parameter space $\left(M_{N4}, \left|U_{\alpha 4}\right|^{2}\right)$ in the case of statistically insignificant excess. Such searches are intensifying as part of a global research programme at both colliders and accelerator / atmospheric neutrino experiments. One such setting is the MINER$\nu$A experiment, located in the NuMI beamline at Fermilab. MINER$\nu$A has collected a large amount of data over seven years of operation to measure the cross-sections of neutrino-nucleus interactions necessary to drive systematic uncertainties down, in order for neutrino oscillation experiments to achieve sensitivity to CP violation in the neutrino sector. With the high-energy, high-intensity NuMI beam, and with good timing, position, and angular resolution leading to sensitivity to HNL decays, MINER$\nu$A is fertile ground for an HNL search, which is performed in this thesis. Specifically, a novel, experiment-agnostic and general simulation of HNL production and decay is presented and deployed; this simulation has been incorporated in the ubiquitous GENIE neutrino event generator for use with neutrino experiments in the future. The event selection and background characterisation is discussed in detail, including the primary background coming from charged-current coherent and diffractive pion production from neutrino-nucleus interactions, and constraints on the background using control regions from MINER$\nu$A data are derived. Finally, by means of a fake-data study given a background of $\mathcal{O}(500)$ events, the discovery potential and limit-setting capacity of MINER$\nu$A is demonstrated, and ways to improve this capacity are expounded upon.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Effective CH4/N2 Separation using NU-1000 at High Pressures

Separation of methane (CH4) from other gases is of significant importance to reducing greenhouse gas emissions. In particular, the development and discovery of efficient adsorbents under pressure swing adsorption (PSA) conditions is a focus many research papers. We evaluated the potential of CH4/N2 separation performance using four adsorbents, including zirconium-based metal organic frameworks (NU-1000, UiO-66, and UiO-67) and a conventional adsorbent, zeolite-13X. Among them, NU-1000 presented high CH4/N2 selectivity (2.8) at 15 bar through ideal adsorbed solution theory because it has micro- and mesopores coupled with the large surface area, and a polar hydroxyl group along the pore surface. NU-1000 has a large CH4 working capacity (4.79) under PSA processes. These results demonstrated that NU-1000 is a sufficiently competitive adsorbent in PSA processes for CH4/N2 separation.

MOFs, NU-1000, separation↗
DOE OSTI2023

Computational and Experimental Characterization of the Ligand Environment of a Ni-Oxo Catalyst Supported in the Metal–Organic Framework NU-1000

Heterogeneous catalysts exhibit significant changes in composition due to the influence of operating conditions, and these compositional changes can have dramatic effects on catalytic performance. For traditional bulk metal heterogeneous catalysts, relationships between composition and catalytic operating conditions are well documented. However, the influence of operating conditions on the compositions of single-site heterogeneous catalysts remains largely unresolved. To address this, we report a combined computational and experimental characterization of a Ni oxo catalyst under catalytic hydrogenation conditions. Specifically, pair distribution function (PDF) analysis is combined with ab initio thermodynamic modeling to investigate ligand environments present on a Ni oxo cluster supported in the metal–organic framework NU-1000. Comparisons of the experimentally observed and simulated Ni–O coordination numbers and Ni–O, Ni···Ni, and Ni···Zr distances provide insight into the Ni ligand environment under H 2 (g). These comparisons suggest significant OH and H 2 O content and, further, that different Ni ions within the cluster and/or NU-1000 structure may comprise subtly different numbers of these ligands. Further, the observation of significant H 2 O content under H 2 (g) suggests that the NU-1000 support supplies H 2 O to the cluster. Examples of ligand environments that could lead to the observed PDFs are provided. Furthermore, the combination of simulations and experiments provides new insights into the ligand environment for Ni-NU-1000 catalysts that will be useful for understanding the ligand environments of other single-site Ni catalysts as well.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

The Covariance of PFNS Results from the Chi-Nu Experiment

The prompt fission neutron spectrum (PFNS) from neutron-induced fission is a fundamental quantity for the behavior of nuclear reactors, and has been measured many times on a wide variety of nuclei and covering different ranges of incident and emitted neutron energies. However, results from past measurements are frequently called into question in modern nuclear data evaluations because of a lack of thorough experimental documentation and incomplete uncertainty analyses. The Chi-Nu experiment at Los Alamos National Laboratory was designed to produce high-precision measurements of the PFNS of major actinides over a wide range of incident and emitted neutron energies, and with the documentation and covariance analysis required to ensure that the results of this experiment maintain their impact long into the future, thereby avoiding this pitfall of past measurements. In this work we describe the Chi-Nu experiment along with summaries of the treatment of and methods developed to address two important components of the analysis of Chi-Nu data: random-coincidence backgrounds and MCNP simulations. Furthermore, we describe the first results for correlations not just between all data points collected on a single target nucleus, but also between all data points from separate Chi-Nu measurements on 235 U and 239 Pu. These correlations are important for accurately calculating ratios of the PFNS from one actinide to another, which are rare and can be informative for nuclear data evaluation efforts.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1972

Experimental and theoretical studies on collision-broadened lines in the nu-4 fundamental of methane.

High-resolution experimental and theoretical studies performed earlier by us on the collision-broadened rotational lines in the nu-3 and 2nu-3 bands of methane have been repeated on the lines in the nu-4 fundamental of the molecule. Line-width measurements and computations, as well as line-shape measurements, indicate that the significant differences which exist between the rotational term values of the nu-3 and nu-4 vibrational levels have no observable effect on the collision-broadening mechanism. Using the predictions of line-widths, based on the Anderson-Tsao-Curnutte theory in the extended version of Tejwani for octopolar molecules, the theoretical dependence of line-widths on temperature has been calculated for CH4-CH4, CH4-H2 and CH4-He collisions.

Varanasi, P.↗
NASA NTRS1992

Analysis of the upper atmosphere CO2(nu-2) vibrational temperatures retrieved from ATMOS/Spacelab 3 observations

An analysis of the upper atmospheric (80-116 km) CO2(nu-2) vibrational temperatures retrieved from atmospheric trace molecule spectroscopy (ATMOS) experiment Spacelab 3 spectra by using a nonlocal thermodynamic equilibrium (non-LTE) radiative transfer model is presented. Thermal collisions with atmospheric atomic oxygen keep this vibrational state very close to LTE up to around 100 km. Above this height, the different deviations from LTE retrieved from ATMOS/Spacelab 3 spectra for the Northern and the Southern Hemispheres are explained in terms of this collisional process and in terms of the different kinetic temperature profiles measured at those locations. From these simultaneous observations of the kinetic and CO2(nu-2) vibrational temperatures, a deactivation rate of CO2(nu-2) by O(3P) has been derived which leads to a rate coefficient value between 3 and 6 x 10 exp -12 cu cm/s and favors an independent or negative temperature dependence rate constant for the atmospheric temperature range. Cooling rates induced by the CO2 15-micron fundamental band in the upper mesosphere and lower thermosphere were derived from the simultaneous kinetic temperature, CO2(nu-2) vibrational temperature, and CO2 concentration, as measured by ATMOS/Spacelab 3, and found to be a factor of between 5 and 10 times larger than those generally accepted until very recently.

Lopez-Puertas, M.↗
NASA NTRS1993

Spectral intensities in the nu(sub 1) band of NH3

Intensities have been measured for individual transitions in the Q and R branches of the nu(sub 1) band of NH3 using a difference-frequency laser spectrometer. The data yield an integrated band strength of S(sup 0 sub v) = 219.36 +/- 1.03/sq cm/MPa at 297 K, corresponding to a transition moment of absolute value of mu(sub v) = 8.535(20) x 10(exp -32) C x m, and a Herman-Wallis correction factor,(1 + alpha(sub J)m), where alpha(sub J) = 0.0209(20). The intensities of a few lines for K greater than or equal to 7 were noticeably perturbed by a perpendicular Coriolis interaction with 2nu(sub 4)(E, l = 2), so were excluded from the fit. A small sample of nu(sub 3) band lines occurring in the nu(sub 1) band scans also yields a rough estimate of the nu(sub 3) band intensity with evident irregular perturbations.

Pine, A. S.↗
DOE OSTI2024

Model-Independent Description of $B\rightarrow D \pi \ell \nu$ Decays

In this contribution we present a novel, model-independent description of semileptonic $B\rightarrow D \pi \ell \nu$ decays. In addition, we discuss recent developments in the understanding of coupled-channel $D \pi$-$D \eta$-$D_s K$ S-wave scattering and, for the first time, apply them to semileptonic decays. We not only obtain model-independent predictions for kinematic distributions in $B\rightarrow D \pi \ell \nu$ decays, but also rule out the hypothesis that the gap between the inclusive $B\rightarrow X\ell\nu$ branching fraction and the sum over exclusive channels is made up predominantly by $B\rightarrow D^{(\ast)} \eta \ell \nu$ decays.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2023

RF Metrology of Lunar Highlands Regolith Simulant NU-LHT-2M

Understanding the electrical properties of lunar regolith is vital to modeling radiofrequency(RF) propagation on the lunar surface a fundamental step in planning lunar surface missions. Near the lunar south pole, the regolith has yet to be directly sampled and thus there remains uncertainty in the electrical properties of the regolith. The regolith simulant NU-LHT-2M is a highlands simulant that is representative of the expected chemical composition of the regolith near the lunar south pole. Previous studies have investigated properties of NU-LHT at UHF and S-band[1]. Future missions to the lunar south pole are expected to utilize X and Ka-band for direct-to-Earth links and UHF, S-band, C-band, and Ka-band for lunar surface communication[2]. As a result, it is necessary to electrically characterize the lunar regolith at these frequencies. In this paper, coaxial impedance dielectric reflectometry is performed on the NU-LHT-2M simulant using a commercially available soil permittivity measurement device. This study serves as a preliminary measurement of the simulant and may lead to enhanced efficacy of the measurement hardware for future applications.

simulant↗
NASA NTRSDate not supplied

RF Metrology of Lunar Highlands Regolith Simulant NU-LHT-2M

*Presentation for the publication* Understanding the electrical properties of lunar regolith is vital to modeling radiofrequency (RF) propagation on the lunar surface, a fundamental step in planning lunar surface missions. Near the lunar south pole, the regolith has yet to be directly sampled and thus there remains uncertainty in the electrical properties of the regolith. The regolith simulant NU-LHT-2M is a highlands simulant that is representative of the expected chemical composition of the regolith near the lunar south pole. Previous studies have investigated properties of NU-LHT at UHF and S-band[1]. Future missions to the lunar south pole are expected to utilize X and Ka-band for direct-to-Earth links and UHF, S-band, C-band, and Ka-band for lunar surface communication [2]. As a result, it is necessary to electrically characterize the lunar regolith at these frequencies. In this paper, coaxial impedance dielectric reflectometry is performed on the NU-LHT-2M simulant using a commercially available soil permittivity measurement device. This study serves as a preliminary measurement of the simulant and may lead to enhanced efficacy of the measurement hardware for future applications.

simulant↗
DOE OSTI2022

Including Chi-Nu 235 U PFNS Experimental Data into an ENDF/B-VIII.1 Release Candidate Evaluation

This report documents an evaluation of 235 U prompt fission neutron spectra (PFNS) that is a release candidate for the upcoming U.S. nuclear data library, ENDF/B-VIII.1. This evaluation differs from its predecessor, ENDF/B-VIII.0, mainly by the inclusion of 235 U PFNS measured by the Chi-Nu team of LANL and LLNL. This data set is the first one that covers the 235 U PFNS for continuous incident-neutron energies of 1⁻20 MeV and outgoing-neutron energies from 10 keV⁻10 MeV with high precision. Previous data sets were either measured in a limited energy range or with less precision. Hence, these new Chi-Nu data provide decisive information for the evaluation. The resulting evaluated data correspond well to the new experimental PFNS. The evaluated PFNS also produce average mean energies and 239 Pu/ 235 U PFNS in agreement with associated Chi-Nu data. If one uses the new evaluated data to predict the neutron multiplication factor, k eff , of selected ICSBEP critical assemblies, the differences of simulated values compared to those using ENDF/B-VIII.0 is modest (less than 55 pcm). This difference in k eff can be easily accommodated by changes in the 235 U average prompt fission neutron multiplicity that is currently being re-evaluated. In addition to that, the new PFNS predict on average 235 U LLNL pulsed-sphere neutron-leakage spectra better than ENDF/B-VIIII.0 PFNS.

235U↗
DOE OSTI2022

Fitting $\overline{\nu}$ for minor Pu isotopes

After successful fitting of prompt $\overline{\nu}$ for 235 U, 238 U, and 239 Pu(n,f) using CGMF, we will move on to the minor plutonium isotopes. Minor isotopes pose a greater challenge both because there is less data available and we do not, by default, have parametrizations in CGMF already. To mitigate these challenges— and provide consistency within CGMF—we will take a stepped approach to the optimization. Continuing from the 239 Pu work, we will then fit 241 Pu(n,f) $\overline{\nu}$, where there is also a number of experimental measurements, keeping consistency between the parameters that are included in the calculation for 239 Pu and 241 Pu. With these parametrizations settled, we can consistently optimize 240 Pu(n,f) $\overline{\nu}$. Following that step, we will move on to 242 Pu(n,f) (and increasing neutron number) and 238 Pu(n,f) (and decreasing neutron number). By including the fissioning systems in this manner, we should be able to minimize the unknown parameters in CGMF. We will possibly also be able to develop systematics for the CGMF input parameters along the Pu isotopic chain. This work can serve as a guide to broadening the reactions available in CGMF. In this short report, we first give an example of how we have updated CGMF to include 240 Pu(n,f) and 242 Pu(n,f), keeping consistency with the current 239 Pu and 241 Pu calculations, but without rigorous optimization (Sec. 2). Then, we will shown in Section 3 what experimental data exist for the various isotopes to provide some insight into why 241 Pu and 239 Pu are used as anchor points.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2024

Evaluating the 238 U PFNS Including Chi-Nu Experimental Data

This report documents an evaluation of 238 U prompt fission neutron spectra (PFNS) which is a deliverable for a FY2024 Q4 NCSP (Nuclear Criticality Safety Program) milestone. This evaluation is new; its prior input is based on extended Los Alamos and exciton models implemented in the code CoH. Experimental covariances were estimated for five experimental data sets. One of these data sets that was measured by the Chi-Nu team of LANL and LLNL. It covers the 238 U PFNS for continuous incident-neutron energies of 1–20 MeV and outgoing-neutron energies from 10 keV– 10 MeV with high precision. Contrary to Chi-Nu data, previous data sets were measured in a limited energy range. The resulting evaluated data correspond well to the experimental PFNS taken into account for the evaluation. The evaluated PFNS also produce average mean energies in agreement with associated Chi-Nu data. If one uses the new evaluated data to predict the neutron multiplication factor, k eff , of the Flattop, Flattop-Pu and BigTen ICSBEP critical assemblies (which all have thick reflectors with high percentages of 238 U), the differences of simulated values compared to those using ENDF/B-VIII.1β3 is modest (less than 25 pcm). In addition to that, the new PFNS predict on average 238 U LLNL pulsed-sphere neutron-leakage spectra slightly better than ENDF/BVIIII.0 and ENDF/B-VIII.1β3 PFNS. The differences are, however, well within the experimental uncertainties.

238U↗
DOE OSTI2024

Search for a Sterile Neutrino in a 3+1 Framework using Wire-Cell Inclusive Charged-Current $\nu_e$ Selection with the BNB and NuMI beamlines in MicroBooNE

A search for a sterile neutrino is being carried out in the MicroBooNE experiment within the 3+1 (three flavors of active neutrinos + one flavor of sterile neutrino) framework using neutrinos from the Booster Neutrino Beam (BNB) and the Neutrinos at the Main Injector (NuMI). The sensitivity of this search is built upon high performance inclusive charged-current electron neutrino and muon neutrino event selections. The previous 3+1 sterile neutrino search using only BNB data, the cancellation between $\nu_{e}$ disappearance and $\nu_{e}$ appearance oscillations led to a reduced oscillation effect in the $\nu_{e}$ energy spectrum resulting in a degeneracy of the oscillation parameters. Such a degeneracy is shown to be mitigated by including the neutrino events from the NuMI beam. In this note, the prospect of a 3+1 oscillation analysis using both BNB and NuMI is reported, considerably improving the sensitivity to 3+1 neutrino oscillations.

43 PARTICLE ACCELERATORS↗
NASA NTRS1976

Intensity of the /R/Q sub zero branch in the nu-9 fundamental of ethane

Recent observations of Jupiter and Saturn at 12 microns have shown strong emission in the nu-9 fundamental of ethane. In order to derive the abundance of ethane from the planetary observations, the absolute intensity of the (R)Q sub zero branch of the nu-9 fundamental was measured, yielding a value of 0.74 plus or minus 0.09/sq cm/atm at 300 K. In order to study the absorption features of the nu-9 fundamental, the computed rotational structure of the band was compared with the laboratory spectrum.

Tokunaga, A.↗
NASA NTRS1978

Absorption strength of the perturbed nu-4 band of CH3Cl

The nu-4 band of CH3Cl interacts strongly with the 3 nu-6 band. Levels of both bands are mixed and both appear strongly in absorption. The strengths of both bands have been measured taking into account the mixing of the levels. The absorption strengths of both bands can be related to a single parameter, namely, the strength of the unperturbed nu-4 band. This was calculated to be 41.8 per sq cm/atm at 297 K.

Margolis, J. S.↗