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Results for “GROUP CONSTANTS”

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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NASA NTRS2015

An Assessment of Antarctic Circumpolar Current and Southern Ocean Meridional Overturning Circulation During 1958-2007 in a Suite of Interannual CORE-2 Simulations

In the framework of the second phase of the Coordinated Ocean-ice Reference Experiments (CORE-II), we present an analysis of the representation of the Antarctic Circumpolar Current (ACC) and Southern Ocean Meridional Overturning Circulation (MOC) in a suite of seventeen global ocean-sea ice models. We focus on the mean, variability and trends of both the ACC and MOC over the 19582007 period, and discuss their relationship with the surface forcing. We aim to quantify the degree of eddy saturation and eddy compensation in the models participating in CORE-II, and compare our results with available observations, previous fine-resolution numerical studies and theoretical constraints. Most models show weak ACC transport sensitivity to changes in forcing during the past five decades, and they can be considered to be in an eddy saturated regime. Larger contrasts arise when considering MOC trends, with a majority of models exhibiting significant strengthening of the MOC during the late 20th and early 21st century. Only a few models show a relatively small sensitivity to forcing changes, responding with an intensified eddy-induced circulation that provides some degree of eddy compensation, while still showing considerable decadal trends. Both ACC and MOC interannual variability are largely controlled by the Southern Annular Mode (SAM). Based on these results, models are clustered into two groups. Models with constant or two-dimensional (horizontal) specification of the eddy-induced advection coefficient show larger ocean interior decadal trends, larger ACC transport decadal trends and no eddy compensation in the MOC. Eddy-permitting models or models with a three-dimensional time varying show smaller changes in isopycnal slopes and associated ACC trends, and partial eddy compensation. As previously argued, a constant in time or space is responsible for a poor representation of mesoscale eddy effects and cannot properly simulate the sensitivity of the ACC and MOC to changing surface forcing. Evidence is given for a larger sensitivity of the MOC as compared to the ACC transport, even when approaching eddy saturation. Future process studies designed for disentangling the role of momentum and buoyancy forcing in driving the ACC and MOC are proposed.

Southern Ocean dynamics↗

DOE OSTI2024

Efficient continuous Energy-Multigroup hybrid depletion scheme using the Shift Monte Carlo code. Part I: Energy condensation sensitivity analysis

Monte Carlo (MC) codes coupled to depletion solvers are increasingly used to provide high fidelity fuel cycle modeling capabilities. Here, these coupled depletion-MC tools produce accurate results in general but can experience nonphysical spatial oscillations when time steps are large or when a system’s dominance ratio approaches unity. Two substepping techniques have been developed previously to remedy and dampen these spatial oscillations without needing to reduce step sizes. The first approach relied on higher-order techniques to account for spectral changes within steps (extrapolation and interpolation techniques). The second approach used the first order perturbation (FOP) theory to account for the change in the one-group spatial flux distribution within steps. This paper develops a hybrid depletion methodology which, in a way, combines how the flux is handled in both substepping techniques. Specifically, the multigroup (MG) MC Shift code is used to update the flux distribution within steps rather than a one-group FOP solver. A fully reflected pincell is investigated, which is not spatially dependent in the MG representation. Thus, the analysis in this paper is an initial demonstration of hybrid depletion. An upcoming companion paper will focus on how the hybrid depletion dampens spatial oscillations. The hybrid depletion approach is verified to be consistent with previous constant extrapolation depletion (CED) methods. This paper finds that the hybrid CED exhibits some error in the eigenvalue and one group constants within macro steps. To address this discrepancy, a simple interpolation scheme (CELI) is investigated. This work found that CELI sufficiently addresses the discrepancy in spectrum for macro steps up to 100 days. Overall, this work demonstrates that the hybrid depletion method can significantly reduce the number of high fidelity MC executions in a MC-coupled depletion with an acceptable eigenvalue error.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

NASA NTRS1994

Mapping the dark matter in the NGC 5044 group with ROSAT: Evidence for a nearly homogeneous cooling flow with a cooling wake

The NGC 5044 group of galaxies was observed by the ROSAT Position Sensitive Proportional Counter (PSPC) for 30 ks during its reduced pointed phase (1991 July). Due to the relatively cool gas temperature in the group (kT = 0.98 +/- 0.02 keV) and the excellent photon statistics (65,000 net counts), we are able to determine precisely a number of fundamental properties of the group within 250 kpc of the central galaxy. In particular, we present model-independent measurements of the total gravitating mass, the temperature and abundance profiles of the gas, and the mass accretion rate. Between 60 and 250 kpc, the gas is nearly isothermal with T varies as r(exp (-0.13 +/- 0.03)). The total gravitating mass of the group can be unambiguously determined from the observed density and temperature profiles of the gas using the equation of hydrostatic equilibrium. Within 250 kpc, the gravitating mass is 1.6 x 10(exp 13) solar mass, yielding a mass-to-light ratio of 130 solar mass/solar luminosity. The baryons (gas and stars) comprise 12% of the total mass within this radius. At small radii, the temperature clearly increases outward and attains a maximum value at 60 kpc. The positive temperature gradient in the center of the group confirms the existence of a cooling flow. The cooling flow region extends well beyond the temperature maximum with a cooling radius between 100 and 150 kpc. There are two distinct regions in the cooling flow separated by the temperature maximum. In the outer region, the gas is nearly isothermal with a unifor m Fe abundance of approximately 80% solar, the flow is nearly homogeneous with dot-M= 20 to 25 solar mass/year, the X-ray contours are spherically symmetric, and rho(sub gas) varies as r(exp -1.6). In the inner region, the temperature profile has a positive gradient, the mass accretion rate decreases rapidly inward, the gas density profile is steeper, and the X-ray image shows some substrucutre. NGC 5044 is offset from the centroid of the outer X-ray contours indicating that the central galaxy may have a residual velocity with respect to the center of the group potential. There is also a linear X-ray feature with an extent of approximately 30 kpc with one end coincident with NGC 5044. The X-ray emission from this feature is softer than the ambient gas. We interpret this feature as a 'cooling wake' formed by the accreting gas as it is gravitationally focused into the wake of NGC 5044. One of the most surprising results of our PSPC observation is the discovery of a nearly homogeneous cooling flow. Prior results concerning the mass accretion profile in cooling flows indicate that dot-M varies as r. This relation implies that significant mass deposition occurs at large radii which generates an inhomogeneous flow. The mass accretion rate in the NGC 5044 group is essentially a constant beyond 40 kpc (well within the cooling radius). Significant mass deposition (a declining dot-M) does not commence until the gas accretes to within 40 kpc of the group center where the radiative cooling time is approximately equals 10(exp 9) year. Th is radius also corresponds to the temperature maximum, the break in gas density profile, and the onset of structure in the X-ray image. A Hubble constant of H(sub 0) = 50 km/sec/Mpc is used throughout the paper.

David, Laurence P.↗

DOE OSTI2022

The Pantheon+ Analysis: Evaluating Peculiar Velocity Corrections in Cosmological Analyses with Nearby Type Ia Supernovae

Separating the components of redshift due to expansion and peculiar motion in the nearby universe (z < 0.1) is critical for using Type Ia Supernovae (SNe Ia) to measure the Hubble constant (H 0 ) and the equation-of-state parameter of dark energy (w). Here, we study the two dominant "motions" contributing to nearby peculiar velocities: large-scale, coherent-flow (CF) motions and small-scale motions due to gravitationally associated galaxies deemed to be in a galaxy group. We use a set of 584 low-z SNe from the Pantheon+ sample, and evaluate the efficacy of corrections to these motions by measuring the improvement of SN distance residuals. We study multiple methods for modeling the large and small-scale motions and show that, while group assignments and CF corrections individually contribute to small improvements in Hubble residual scatter, the greatest improvement comes from the combination of the two (relative standard deviation of the Hubble residuals, Rel. SD, improves from 0.167 to 0.157 mag). We find the optimal flow corrections derived from various local density maps significantly reduce Hubble residuals while raising H 0 by ~0.4 km s -1 Mpc -1 as compared to using CMB redshifts, disfavoring the hypothesis that unrecognized local structure could resolve the Hubble tension. We estimate that the systematic uncertainties in cosmological parameters after optimally correcting redshifts are 0.06–0.11 km s -1 Mpc -1 in H 0 and 0.02–0.03 in w which are smaller than the statistical uncertainties for these measurements: 1.5 km s -1 Mpc -1 for H 0 and 0.04 for w.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Bipolar Organic Cathodes for Stable and Sustainable Na‐Ion and Rechargeable Al Batteries

Bipolar organic materials have emerged as promising cathode materials for rechargeable batteries because of their high voltage and high capacity. However, they suffer from poor cyclic stability and slow reaction kinetics. In this work, we designed and synthesized two bipolar organic cathode materials, containing carbonyl (n‐type) and amine (p‐type) functional groups, as well as extended conjugation structures, for Na‐ion batteries (NIBs) and rechargeable aluminum batteries (RABs). As universal electrode materials, bipolar organic materials exhibited exceptional electrochemical performance in terms of high capacity, high voltage, long cycle life, and fast rate capability. Further, the extended conjugation structures in backbones of the bipolar organic materials facilitate the π–π stacking with graphene, playing a critical role in the high performance. Furthermore, the formation of a stable and robust NaF‐rich cathode electrolyte interphase was shown to stabilize the bipolar organic cathode in NIBs. Electrochemical kinetic measurements reveal that both functional groups undergo reversible redox reactions. Specifically, the electron transfer rate constant of the p‐type amine group is one order of magnitude higher than that of the n‐type carbonyl group. These results highlight the efficacy of developing bipolar organic materials for achieving high‐performance organic cathode in NIBs and RABs.

25 ENERGY STORAGE↗

DOE OSTI2024

Reactions of the ˙NO 3 radical with nuclear extraction ligands in alkane solution

Here, the reactivity of the nitrate radical (NO 3 ˙) with organophosphorus and amidic actinide and lanthanide complexing agents of interest to nuclear solvent extraction applications was measured, resulting in the first-ever reported bimolecular rate constants for this radicals’ reactions in dodecane solution. The order of reactivity for neutral organophosphorus compounds showed faster rate constants with increasing electron density on the phosphoryl phosphorus atom, indicating an increasing facility for electron abstraction reactions occurring in addition to H-atom abstraction from the ligand alkane chains. The only acidic organophosphorus compound investigated, HEH[EHP], showed low reactivity with the NO 3 ˙ radical, attributed to its dimerization in this non-polar solvent. Amide ligand reaction rates were faster than for organophosphorus molecules, suggesting more facile H-atom abstraction from carbonyl activated methylene and amyl groups. While all rate constants were slower than the diffusion-limited rate they were still rapid enough to result in significant oxidation of solvent extraction ligands in dodecane solution.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

NASA NTRS1985

QSAR for cholinesterase inhibition by organophosphorus esters and CNDO/2 calculations for organophosphorus ester hydrolysis

Quantitative structure-activity relationships were derived for acetyl- and butyrylcholinesterase inhibition by various organophosphorus esters. Bimolecular inhibition rate constants correlate well with hydrophobic substituent constants, and with the presence or absence of catonic groups on the inhibitor, but not with steric substituent constants. CNDO/2 calculations were performed on a separate set of organophosphorus esters, RR'P(O)X, where R and R' are alkyl and/or alkoxy groups and X is fluorine, chlorine or a phenoxy group. For each subset with the same X, the CNDO-derived net atomic charge at the central phosphorus atom in the ester correlates well with the alkaline hydrolysis rate constant. For the whole set of esters with different X, two equations were derived that relate either charge and leaving group steric bulk, or orbital energy and bond order to the hydrogen hydrolysis rate constant.

Johnson, H.↗

NASA NTRS1985

QSAR for cholinesterase inhibition by organophosphorus esters and CNDO/2 calculations for organophosphorus ester hydrolysis

Quantitative structure-activity relationships were derived for acetyl- and butyrylcholinesterase inhibition by various organophosphorus esters. Bimolecular inhibition rate constants correlate well with hydrophobic substituent constants, and with the presence or absence of cationic groups on the inhibitor, but not with steric substituent constants. CNDO/2 calculations were performed on a separate set of organophosphorus esters, RR-primeP(O)X, where R and R-prime are alkyl and/or alkoxy groups and X is fluorine, chlorine or a phenoxy group. For each subset with the same X, the CNDO-derived net atomic charge at the central phosphorus atom in the ester correlates well with the alkaline hydrolysis rate constant. For the whole set of esters with different X, two equations were derived that relate either charge and leaving group steric bulk, or orbital energy and bond order to the hydrolysis rate constant.

Johnson, H.↗

NASA NTRS1968

Rate constants measured for hydrated electron reactions with peptides and proteins

Effects of ionizing radiation on the amino acids of proteins and the reactivity of the protonated amino group depends upon the pK subscript a of the group. Estimates of the rate constants for reactions involving the amino acid side chains are presented. These rate constants gave an approximate rate constant for three different protein molecules.

Braams, R.↗

NASA NTRS1975

Water resources planning for rivers draining into Mobile Bay. Part 2: Non-conservative species transport models

Total coliform group bacteria were selected to expand the mathematical modeling capabilities of the hydrodynamic and salinity models to understand their relationship to commercial fishing ventures within bay waters and to gain a clear insight into the effect that rivers draining into the bay have on water quality conditions. Parametric observations revealed that temperature factors and river flow rate have a pronounced effect on the concentration profiles, while wind conditions showed only slight effects. An examination of coliform group loading concentrations at constant river flow rates and temperature shows these loading changes have an appreciable influence on total coliform distribution within Mobile Bay.

April, G. C.↗

NASA NTRS1982

The sensitivity of numerically simulated climates to land-surface boundary conditions

Eleven sensitivity experiments that were made with general circulation models to see how land-surface boundary conditions can influence the rainfall, temperature, and motion fields of the atmosphere are discussed. In one group of experiments, different soil moistures or albedos are prescribed as time-invariant boundary conditions. In a second group, different soil moistures or different albedos are initially prescribed, and the soil moisture (but not the albedo) is allowed to change with time according to the governing equations for soil moisture. In a third group, the results of constant versus time-dependent soil moistures are compared.

Mintz, Y.↗

NASA NTRS1984

The sensitivity of numerically simulated climates to land-surface boundary conditions

Mintz, Y.↗

NASA NTRS1985

The salutary effect of dietary calcium on bone mass in a rat model of simulated weightlessness

Whether supplementation of dietary calcium reduces the differences in bone mass of unweighed limbs and normally weighted limbs, and whether parathyroid hormone (PTH) and 1,25-dihydroxyvitamin D (1,25(OH)2D) respond differently to dietary calcium in unweighted animals in comparison with pair-fed controls was studied. The hind limbs of rats were unweighted by a tail suspension method and diets containing 0.1% to 2.4% calcium. After 2 weeks serum calcium, phosphorus, PTH and 1,25(OH)2D intestinal calcium transport were determined and bone mass, ash weight, and calcium in the tibia, L-1 vertebra, and humerus were measured. No significant differences in body weights were observed among the various groups. Suspended rats maintained constant levels of serum calcium and phosphate over the wide range of dietary calcium. Serum PTH and 1,25(OH)2D and intestinal calcium transport fell as dietary calcium was increased. Bone calcium in the tibia and vertebra from suspended rats remained less than that from pair-fed control. It is suggested that although no striking difference between suspended and control animals was observed in response to dieteary calcium, increasing dietary calcium may reduce the negative impact of unloading on the calcium content of the unweighted bones. The salutary effect of high dietary calcium appears to be due to inhibition of bone resorption rather than to stimulation of bone formation.

Bikle, D. D.↗

NASA NTRS1990

MBE growth technology for high quality strained III-V layers

The III-V films are grown on large automatically perfect terraces of III-V substrates which have a different lattice constant, with temperature and Group III and V arrival rates chosen to give a Group III element stable surface. The growth is pulsed to inhibit Group III metal accumulation of low temperature, and to permit the film to relax to equilibrium. The method of the invention: (1) minimizes starting step density on sample surface; (2) deposits InAs and GaAs using an interrupted growth mode (0.25 to 2 monolayers at a time); (3) maintains the instantaneous surface stoichiometry during growth (As-stable for GaAs, In-stable for InAs); and (4) uses time-resolved RHEED to achieve aspects (1) through (3).

Grunthaner, Frank J.↗

NASA NTRS1992

The origin of complex organic ions in the coma of Comet Halley

The Giotto-PICCA instrument has obtained heavy-ion mass spectra in the inner coma of Comet Halley; the spectra exhibit a series of distinct mass groups separated by a constant about 15 amu, and extending to at least 120 amu, whose pattern is typical of CHON molecules. It is found that neither coma gas-phase chemistry nor UV photon, solar wind particle, or cosmic irradiation of the nucleus in its current orbit can generate enough heavy molecules to account for the PICCA abundances. It is suggested that these abundances may be supplied by UV and cosmic irradiation of the icy, precometary grains within interstellar molecular clouds and/or the protosolar nebula.

Mitchell, D. L.↗

NASA NTRS1995

Trapped iron measured on LDEF

Heavy ions far below the cutoff energy were detected on the 28.5 deg inclination orbit of LDEF in a plastic track detector experiment. The Fe-group particles show a constant energy spectrum at 50 less than or equal to E less than or equal to 200 MeV/nuc. The steep energy spectrum of Fe-particles at 20 less than or equal to E less than or equal to 50 MeV/nuc and the arrival directions of these ions is consistent with a trapped component incident in the South Atlantic Anomaly at values of L=1.4-1.6.

Beaujean, R.↗

NASA NTRS1992

MBE growth technology for high quality strained III-V layers

III-V films are grown on large automatically perfect terraces of III-V substrates which have a different lattice constant, with temperature and Group II and V arrival rates chosen to give a Group III element stable surface. The growth is pulsed to inhibit Group III metal accumulation to low temperature, and to permit the film to relax to equilibrium. The method of the invention 1) minimizes starting step density on sample surface; 2) deposits InAs and GaAs using an interrupted growth mode (0.25 to 2 mono-layers at a time); 3) maintains the instantaneous surface stoichiometry during growth (As-stable for GaAs, In-stable for InAs); and 4) uses time-resolved RHEED to achieve aspects (1)-14 (3).

Grunthaner, Frank J.↗

NASA NTRS2018

Associative Polymers to Control Formation of Particulate Matter from Ignitable Compositions and Related Compositions, Methods and Systems

Described herein are associative polymers capable of controlling formation of particulate matter from a non-polar ignitable composition upon ignition of the non-polar ignitable composition, alone or in combination with control of a physical and/or chemical property of the non-polar compositions and related compositions, methods and systems. Associative polymers herein described have a non-polar backbone and functional groups presented at ends of the non-polar backbone, with a number of the functional groups presented at the ends of the non-polar backbone formed by associative functional groups capable of undergoing an associative interaction with another associative functional group with an association constant (k) such that the strength of each associative interaction is less than the strength of a covalent bond between atoms and in particular less than the strength of a covalent bond between backbone atoms.

Kornfield, Julia A.↗