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At least 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
NASA NTRS2018

Propynal, an Interstellar Molecule with an Exceptionally Strong C≡C Infrared Band - Laboratory Infrared Data and Applications

Isomers with the formulaC3H2Ohave intrigued and puzzled astronomers and astrochemists for many years, with propynal and cyclopropenone, but not propadienone, known to be interstellar. However, there is a severe lack of laboratory spectra of the solid phases of these compounds with which to investigate their interstellar chemistry. Here we present the first infrared spectra of amorphous and crystalline forms of propynal, HCC C(O)H, at multiple temperatures. Band positions are tabulated and band strengths are derived in terms of absorption coefficients and integrated intensities. Optical constants are calculated for amorphous propynal, refractive indices aremeasured, and densities are estimated. Three laboratory astrochemistry applications are described, including a new spectral identification in an earlier paper. It is shown that propynal’s C C infrared absorbance is about 30 000 per cent stronger than the corresponding feature in acetylene. This band’s intensity and spectral position make it an attractive candidate for astronomical searches involving interstellar ices.

astrochemistry – ISM: molecules↗
DOE OSTI2018

Review of Inorganic Salt Hydrates with Phase Change Temperature in Range of 5°C to 60°C and Material Cost Comparison with Common Waxes

Phase change materials (PCMs) with desirable phase change temperatures can be used to provide a constant temperature thermal source or sink for diverse applications. As such, incorporating PCMs into building materials, equipment, or appliances can shift and/or reduce the energy load. The motivation of this work is to identify low-cost inorganic salt hydrate PCMs that can complement current building systems and designs, and compare them with common paraffins.In this work, we analyzed inorganic salt hydrates with phase change temperatures in the range of 5-60°C, to target both space heating and cooling applications. The properties of the salt hydrates were compared with paraffins over the same temperature range. The results showed that PCMs with a melting temperature above 20°C, salt hydrates have advantages over paraffins including higher thermal energy density (45-120 kWh/m3 for salt hydrates; 45-60 kWh/m3 for paraffins) and generally lower material energy cost (1-20 $/kWh for salt hydrates; 20-30 $/kWh for comparable paraffins). For PCMs with a melting temperature less than 20°C, the material cost is higher for both salt hydrates and paraffins (30-110 $/kWh for both classes of materials) and salt hydrates retain their advantage of greater thermal energy density (50-120 kWh/m3 for salt hydrates; 45-60 kWh/m3 for paraffins). In all cases, factors including thermal cyclability, stability, congruency, corrosion, and supercooling must be considered when comparing paraffins and salt hydrates for a particular application. Finally, we give an overview of enhancement techniques for salt hydrate PCMs and find that limited efforts have been pursued to tune salt hydrate phase change temperatures, with a wider range of studies investigating stabilization and minimization of supercooling. This analysis shows the potential of developing salt hydrate PCMs for low-cost heating and cooling thermal energy storage systems for a range of applications.

Hirschey, Jason↗
DOE OSTI2021

Nuclear Transparency from Quasi-elastic ¹²C(e, e'p) scattering reaction up to Q2 = 14.2 (GeV/c)2 in Hall C at Jefferson Lab

Color Transparency (CT) is a unique prediction of Quantum Chromodynamics (QCD) where the final (and/or initial) state interactions of hadrons with the nuclear medium are suppressed for exclusive processes at high momentum transfers. While this phenomenon has been observed for mesons, there has never been a conclusive observation for baryons. A clear signal of CT for baryons would be the first evidence of baryons fluctuating to a small size in the nucleus, and the onset would show the transition from nucleon-meson picture to quark-gluon degrees of freedom. The experiment E1206107, searching for the onset of CT in protons was completed in Hall C at Jefferson Laboratory (JLab) using the upgraded 12 GeV e- beam. It used the High Momentum Spectrometer (HMS) and the new Super High Momentum spectrometer (SHMS) in coincidence to measure the e- + ¹²C ? e-' + p + X reaction in quasi-elastic kinematics. Data were collected on a ¹²C target over the range of Q2 = 8 - 14.3 (GeV/c)2, covering the region where a previous p + A ? p' + p + X experiment at Brookhaven National Laboratory (BNL) had observed an enhancement. Proton Transparency (PT) was extracted from these data. A rise in the PT as a function of Q2 (defined as the square of the negative of the 4-momentum transfer by the scattered electron) is predicted to be a signature of the onset of CT. Our data showed no significant increase and consistent with the traditional nuclear physics calculation. This dissertation discusses the theory and implementation of the CT experiment, summarizes the data analysis and presents results on hydrogen normalization and nuclear transparency.

Bhetuwal, Deepak↗
DOE OSTI2022

Cross-correlation of Dark Energy Survey Year 3 lensing data with ACT and P l a n c k thermal Sunyaev-Zel’dovich effect observations. II. Modeling and constraints on halo pressure profiles

Hot, ionized gas leaves an imprint on the cosmic microwave background via the thermal Sunyaev-Zel’dovich (tSZ) effect. The cross-correlation of gravitational lensing (which traces the projected mass) with the tSZ effect (which traces the projected gas pressure) is a powerful probe of the thermal state of ionized baryons throughout the Universe and is sensitive to effects such as baryonic feedback. In a companion paper (Gatti et al. Phys. Rev. D 105, 123525 (2022)), we present tomographic measurements and validation tests of the cross-correlation between Galaxy shear measurements from the first three years of observations of the Dark Energy Survey and tSZ measurements from a combination of Atacama Cosmology Telescope and Planck observations. In this work, we use the same measurements to constrain models for the pressure profiles of halos across a wide range of halo mass and redshift. We find evidence for reduced pressure in low-mass halos, consistent with predictions for the effects of feedback from active Galactic nuclei. We infer the hydrostatic mass bias (B ≡ M 500c /M SZ from our measurements, finding B = 1.8 ± 0.1 when adopting the Planck-preferred cosmological parameters. We additionally find that our measurements are consistent with a nonzero redshift evolution of B, with the correct sign and sufficient magnitude to explain the mass bias necessary to reconcile cluster count measurements with the Planck-preferred cosmology. Our analysis introduces a model for the impact of intrinsic alignments (IAs) of galaxy shapes on the shear-tSZ correlation. We show that IA can have a significant impact on these correlations at current noise levels.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Enhanced Electro-Kinetics of C-C Bond-Splitting during Ethanol Oxidation Reaction using Pt/Rh/Sn Catalyst with a Partially Oxidized Pt and Rh Core and a SnO2 Shell

Direct ethanol fuel cell (DEFC) is a promising technology for generating electricity via the electro-oxidation of liquid ethanol. Its implementation requires the development of anode catalysts capable of producing CO 2 and yielding 12-electron transfer through breaking C-C bond of ethanol. Here we presented comprehensive studies of electro-kinetics of the CO 2 generation on Pt/Rh/Sn ternary catalysts. Our studies showed that, for the first time, the tri–phase PtRhOx- SnO 2 catalysts with a partially oxidized Pt and Rh core and a SnO 2 shell, validated by X-ray absorption analyses and scanning transmission electron microscope-electron energy loss spectroscopy line scan, coincided with a 2.5-fold increase in the CO 2 generation rate towards ethanol oxidation reaction, compared with the bi-phase PtRh-SnO 2 catalysts with a metallic PtRh alloy core and commercial Pt. These studies provided insight on the design of a new genre of electro-catalysts with a partially oxidized noble metal.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Slow spin dynamics in the hyperhoneycomb lattice [ ( C 2 H 5 ) 3 NH ] 2 Cu 2 ( C 2 O 4 ) 3 revealed by H 1 NMR studies

We report the results of magnetic susceptibility χ and H 1 nuclear magnetic resonance (NMR) measurements on a three-dimensional hyperhoneycomb lattice compound [ ( C 2 H 5 ) 3 NH ] 2 Cu 2 ( C 2 O 4 ) 3 (CCCO). The average value of the antiferromagnetic (AFM) exchange coupling between the Cu 2 + ( S = 1 / 2 ) spins was determined to be J ~ 50 K from the χ measurements. No long-range magnetic ordering has been observed down to T = 50 mK, although NMR lines become slightly broader at low temperatures below 1 K. The broadening of the NMR spectrum observed below 1 K reveals that the Cu spin moments remain at this temperature, suggesting a non-spin-singlet ground state. The temperature and magnetic field dependence of 1 / T 1 at temperatures above 20 K is well explained by paramagnetic thermal spin fluctuations where the fluctuation frequency of Cu 2 + spins is higher than the NMR frequency of the order of megahertz. However, a clear signature of the slowing down of the Cu 2 + spin fluctuations was observed at low temperatures where 1 / T 1 shows a thermally activated behavior. The magnetic field dependence of the magnitude of the spin excitation gap suggests that the magnetic behaviors of CCCO are characterized as an AFM chain at low temperatures.

1-dimensional systems↗
DOE OSTI2015

Electromagnetic and neutral-weak response functions of 4 He and 12 C

A major goal of nuclear theory is to understand the strong interaction in nuclei as it manifests itself in terms of two- and many-body forces among the nuclear constituents, the protons and neutrons, and the interactions of these constituents with external electroweak probes via one- and many-body currents. The objective of the present work is to calculate the quasielastic electroweak response functions in light nuclei within the realistic dynamical framework outlined above. These response functions determine the inclusive cross section as function of the lepton momentum and energy transfers. Their ab initio calculation is a very challenging quantum many-body problem, since it requires summation over the entire excitation spectrum of the nucleus and inclusion in the electroweak currents of one- and many-body terms. Green's functions Monte Carlo methods allow one to circumvent both difficulties by computing the response in imaginary time (the so-called Euclidean response) and hence summing implicitly over the bound and continuum states of the nucleus, and by implementing specific algorithms designed to deal with the complicated spin-isospin structure of nuclear many-body operators. Theoretical predictions for 4 He and 12 C, confirmed by experiment in the electromagnetic case, show that two-body currents generate excess transverse strength from threshold to the quasielastic to the dip region and beyond. In conclusion, these results challenge the conventional picture of quasielastic inclusive scattering as being largely dominated by single-nucleon knockout processes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Experimental measurement of 12 C + 16 O fusion at stellar energies

The total cross section of the 12 C + 16 O fusion reaction has been measured at low energies to investigate the role of this reaction during late stellar evolution burning phases. A high-intensity oxygen beam, produced by the 5 MV pelletron accelerator at the University of Notre Dame, impinged on a thick, ultrapure graphite target. Protons and γ rays were simultaneously measured in the center-of-mass energy range from 3.64 to 5.01 MeV for singles and from 3.73 to 4.84 MeV for coincidence events, using silicon and Ge detectors. Statistical model calculations were employed to interpret the experimental results. The emergence of a new resonance-like broad structure and a decreasing trend in the S-factor data towards lower energies (opposite to previous data) are found for the 12 C + 16 O fusion reaction. Furthermore, based on these results the uncertainty range of the reaction rate within the temperature range of late stellar burning environments is discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

SU-C-201-06: Small Field Correction Factors for the MicroDiamond Detector in the Gamma Knife-Model C Derived Using Monte Carlo Methods

Purpose: To determine small field correction factors for PTW’s microDiamond detector in Elekta’s Gamma Knife Model-C unit. These factors allow the microDiamond to be used in QA measurements of output factors in the Gamma Knife Model-C; additionally, the results also contribute to the discussion on the water equivalence of the relatively-new microDiamond detector and its overall effectiveness in small field applications. Methods: The small field correction factors were calculated as k correction factors according to the Alfonso formalism. An MC model of the Gamma Knife and microDiamond was built with the EGSnrc code system, using BEAMnrc and DOSRZnrc user codes. Validation of the model was accomplished by simulating field output factors and measurement ratios for an available ABS plastic phantom and then comparing simulated results to film measurements, detector measurements, and treatment planning system (TPS) data. Once validated, the final k factors were determined by applying the model to a more waterlike solid water phantom. Results: During validation, all MC methods agreed with experiment within the stated uncertainties: MC determined field output factors agreed within 0.6% of the TPS and 1.4% of film; and MC simulated measurement ratios matched physically measured ratios within 1%. The final k correction factors for the PTW microDiamond in the solid water phantom approached unity to within 0.4%±1.7% for all the helmet sizes except the 4 mm; the 4 mm helmet size over-responded by 3.2%±1.7%, resulting in a k factor of 0.969. Conclusion: Similar to what has been found in the Gamma Knife Perfexion, the PTW microDiamond requires little to no corrections except for the smallest 4 mm field. The over-response can be corrected via the Alfonso formalism using the correction factors determined in this work. Using the MC calculated correction factors, the PTW microDiamond detector is an effective dosimeter in all available helmet sizes. The authors would like to thank PTW (Friedberg, Germany) for providing the PTW microDiamond detector for this research.

07 ISOTOPE AND RADIATION SOURCES↗
NASA NTRS2021

High Temperature W-band Complex Permittivity Measurements of Thermally Cycled Ceramic-Metal Composites: AlN:Mo with 0.25 vol% to 4.0 vol% Mo from 25 °C to 1000 °C in Air

An apparatus for measuring the W-band (75-110GHz) complex permittivity of dielectrics at 1000 °C was developed. This apparatus allows for measurements at approximately twice the temperature of previously published high temperature free-space measurement systems while maintaining similar precision. Challenges were addressed related to high temperature measurements, including temperature uniformity, the accuracy of temperature measurements, and preventing temperature related changes to mm-wave measurement systems. The details of complex permittivity extraction from the measured S-parameters are discussed. Sources of error related to permittivity measurement and mathematical models were identified and are discussed in detail herein. Thermally-cycled, mm-wave absorbing, aluminum nitride ceramic composites containing varying levels of molybdenum additives were measured over the range of 25-1000 °C. These measurements were compared to the same composites before thermal cycling. It was found that ceramic composites are largely stable after thermal cycling in terms of dielectric properties despite the presence of visible surface modifications.

Zane W Cohick↗
DOE OSTI2017

Observation of the Decays Λ b 0 → χ c 1 p K - and Λ b 0 → χ c 2 p K -

The first observation of the decays Λ$^0_b$ → $χ$ c1 $pK$ - and Λ$^0_b$ → $χ$ c2 $pK$ - is reported using a data sample corresponding to an integrated luminosity of 3.0 fb -1 , collected by the LHCb experiment in $pp$ collisions at center-of-mass energies of 7 and 8 TeV. The following ratios of branching fractions are measured: $$\frac{\mathscr{B}(Λ^0_b→Χ_{c1}pK^-)}{\mathscr{B}(Λ^0_b→J/ψpK^-)}=0.242 ± 0.014 ± 0.013 ± 0.009$$ $$\frac{\mathscr{B}(Λ^0_b→Χ_{c2}pK^-)}{\mathscr{B}(Λ^0_b→J/ψpK^-)}= 0.248 ± 0.020 ± 0.014 ± 0.009$$ $$\frac{\mathscr{B}(Λ^0_b→Χ_{c2}pK^-)}{\mathscr{B}(Λ^0_b→Χ_{c1}pK^-)}= 1.02 ± 0.10 ± 0.02 ± 0.05$$ where the first uncertainty is statistical, the second systematic, and the third due to the uncertainty on the branching fractions of the $Χ_{c1}$ → $Jψγ$ and $Χ_{c2}$ → $Jψγ$ decays. Using both decay modes, the mass of the Λ$^0_b$ baryon is also measured to be $m$ Λ$^0_b$ = 5619.44 ± 0.28 ± 0.26 MeV/$c$ 2 , where the first and second uncertainties are statistical and systematic, respectively.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Erratum to: Hadron transverse momentum distributions in muon deep inelastic scattering at 160 GeV/ $$c$$ c

This paper is an erratum to a previous paper (EPJC 73 (2013) 2531) published by C. Adolph et al. (The COMPASS Collaboration) using a data sample taken in 2004. In the course of the ongoing analysis of the more recent 2006 data sample, and following some additional hints we identified a problem in the analysis of the 2004 data presented in EPJC 73 (2013) 2531. The acceptance correction for the 2004 data sample did not properly account for the use of semi-inclusive triggers on top of the inclusive triggers.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Interconverting Lanthanum Hydride and Borohydride Catalysts for C=O Reduction and C-O Bond Cleavage

The high catalytic reactivity of homoleptic tris(alkyl) lanthanum La{C(SiHMe2)3}3 is highlighted by C–O bond cleavage in the hydroboration of esters and epoxides at room temperature. The catalytic hydroboration tolerates functionality typically susceptible to insertion, reduction, or cleavage reactions. Turnover numbers (TON) up to 10 000 are observed for aliphatic esters. Finally, Lanthanum hydrides, generated by reactions with pinacolborane, are competent for reduction of ketones but are inert toward esters. Instead, catalytic reduction of esters requires activation of the lanthanum hydride by pinacolborane.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Distributions of Ag, Bi, and Sb as Minor Elements between Iron-Silicate Slag and Copper in Equilibrium with Tridymite in the Cu-Fe-O-Si System at T = 1250 °C and 1300 °C (1523 K and 1573 K)

New experimental data on the distributions of silver (Ag), bismuth (Bi), and antimony (Sb) between liquid iron-silicate slag and liquid copper metal in equilibrium with tridymite in the Cu-Fe-O-Si system at T = 1250 °C and 1300 °C (1523 K and 1573 K) have been obtained. The experimental methodology involved high-temperature equilibration, rapid quenching of the equilibrated phases, followed by direct measurement of the equilibrium phases with electron probe X-ray microanalysis (EPMA) for measurement of major element concentrations and laser ablation inductively coupled plasma mass spectrometry (LAICPMS) for the measurement of minor element concentrations. The 4-point test approach was employed to confirm the achievement of chemical equilibrium in the current study. Open-system equilibration on quartz substrates in controlled gas atmospheres (CO/CO{sub 2}/Ar) and closed-system equilibration in sealed quartz ampoules were used. The new experimental data resolve significant discrepancies found in previous studies and can be used as input for the development of thermodynamic databases for copper-making processes.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Theoretically Informed Kinetics (ThInK): Establishing a modern C 0 -C 3 mechanism for combustion modeling

In contrast to the adage “Models are to be used, not believed”, combustion kinetics models have been intended to be predictive in nature. Theoretical chemical kinetics is now understood to provide a firm foundation for the reaction parameters, thereby facilitating predictive simulations of chemical reactivity, even in regimes that are poorly characterized by chemical kinetic and/or combustion experiments. In this study, we describe a theory-informed kinetics model (ThInK) for small molecule combustion chemistry (H 2 and C 1 – C 3 species) that is based on the prodigious use of theoretical predictions for reaction rate coefficients, thermochemistry, and transport parameters. The distinct features of this kinetics model, which was developed over the course of several decades, are illustrated through simulations of flame propagation and auto-ignition.

Energy transfer↗
DOE OSTI2025

Quantifying the Decomposition Kinetics of Linear C 2 –C 4 Perfluoroalkanes

The pyrolysis of C 2 –C 4 linear perfluoroalkanes was investigated using laser schlieren densitometry (LS) in a diaphragmless shock tube. Mixtures of 1, 2, and 4% perfluoroethane (PFE), perfluoropropane (PFP), and perfluorobutane (PFB) in excess krypton were shock-heated to 1400–2500 K at pressures of 60, 120, and 240 Torr. The initiation step for all perfluoroalkanes involved carbon–carbon bond fission. The rate constants for unimolecular decomposition were computed using microcanonical rate theory, and these rate constants were combined into a detailed chemical kinetic mechanism. For PFE and PFP, there was one dissociation channel, while PFB dissociated via two competing bond-fission reactions. The perfluoroalkyl radicals subsequently recombined or underwent further unimolecular decomposition. In conclusion, the kinetic model accurately simulated the density gradient profiles of all perfluoroalkanes.

Guzman, Eduardo H. [Brown Univ., Providence, RI (U↗