Search NASA⌕ Search

SEARCH · Search NASA

Results for “weakness analysis”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

New water soluble heterometallic complex showing unpredicted coordination modes of EDTA

A mesoporous 3D polymeric complex (I) having formula ([Zr(IV)O-μ{sup 3}-(EDTA)Fe(III)OH]·H{sub 2}O){sub n} has been crystallized and characterized by various techniques. Single-crystal X-ray diffraction analysis revealed that complex (I) crystallized in chiral monoclinic space group Cc (space group no. 9) with unexpected coordination modes of EDTA and mixture of two transition metal ions. In this complex, the coordination number of Zr(IV) ion is seven where four carboxylate oxygen atoms, two nitrogen atoms, one oxide atom are coordinating with Zr(IV). Fe(III) is four coordinated and its coordination environment is composed of three different carboxylic oxygen atoms from three different EDTA and one oxygen atom of –OH group. The structure consists of 4-c and 16-c (2-nodal) net with new topology and point symbol for net is (3{sup 36}·4{sup 54}·5{sup 30})·(3{sup 6}). TGA study and XRPD pattern showed that the coordination polymer is quite stable even after losing water molecule and –OH ion. Quenching behavior in fluorescence of ligand is observed by complexation with transition metal ions is due to n–π⁎ transition. The SEM micrograph shows the morphology of complex (I) exhibits spherical shape with size ranging from 50 to 280 nm. The minimum N{sub 2} (S{sub BET}=8.7693 m{sup 2}/g) and a maximum amount of H{sub 2} (high surface area=1044.86 m{sup 2}/g (STP)) could be adsorbed at 77 K. From DLS study, zeta potential is calculated i.e. −7.94 shows the negative charges on the surface of complex. Hirshfeld surface analysis and fingerprint plots revealed influence of weak or non bonding interactions in crystal packing of complex. - Graphical abstract: The complex (I) crystallized with unexpected coordination modes of EDTA having 4-c, 16-c net with new topology and point symbol is (3{sup 36}·4{sup 54}·5{sup 30})·(3{sup 6}). TGA study and XRPD pattern proved its stability with high preference of H{sub 2} uptake by complex. - Highlights: • 3D complex having unexpected coordination modes of EDTA with Zr(IV) and Fe(III). • The structure consists of 4-c and 16-c (2-nodal) net with new topology. • Reasonable S{sub BET} (8.7693 m{sup 2}/g) but high H{sub 2} uptake (1044.86 m{sup 2}/g) due to limited pore size. • Quenching behavior due to n–π⁎ transition by complexation with transition metal ions. • From DLS study, zeta potential value is −7.94.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Doping evolution of charge and spin excitations in two-leg Hubbard ladders: Comparing DMRG and FLEX results [Doping evolution of charge and spin excitations in two-leg Hubbard ladders: Comparing DMRG and RPA+FLEX results]

Here, we study the magnetic and charge dynamical response of a Hubbard model in a two-leg ladder geometry using the density matrix renormalization group (DMRG) method and the random phase approximation within the fluctuation-exchange approximation (FLEX). Our calculations reveal that FLEX can capture the main features of the magnetic response from weak up to intermediate Hubbard repulsion for doped ladders, when compared with the numerically exact DMRG results. However, while at weak Hubbard repulsion both the spin and charge spectra can be understood in terms of weakly interacting electron-hole excitations across the Fermi surface, at intermediate coupling DMRG shows gapped spin excitations at large momentum transfer that remain gapless within the FLEX approximation. For the charge response, FLEX can only reproduce the main features of the DMRG spectra at weak coupling and high doping levels, while it shows an incoherent character away from this limit. Overall, our analysis shows that FLEX works surprisingly well for spin excitations at weak and intermediate Hubbard U values even in the difficult low-dimensional geometry such as a two-leg ladder. Finally, we discuss the implications of our results for neutron scattering and resonant inelastic x-ray scattering experiments on two-leg ladder cuprate compounds.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

The Role of Hydroxyl Group Acidity on the Activity of Silica-Supported Secondary Amines for the Self-Condensation of n -Butanal

The catalytic activity of secondary amines supported on meso-porous silica for the self-condensation of n -butanal to 2-ethylhexenal can be altered significantly by controlling the Brønsted acidity of M - OH species present on the surface of the support. In this study, M - OH (M = Sn, Zr, Ti, and Al) groups were doped onto the surface of SBA-15, a mesoporous silica, prior to grafting secondary propyl amine groups on to the support surface. The catalytic activity was found to depend critically on the synthesis procedure, the nature and amount of metal species in-troduced and the spatial separation between the acidic sites and amine groups. DFT analysis of the reaction pathway indicates that, for weak Brønsted acid groups, such as Si - OH, the rate-limiting step is C - C bond formation, whereas for stronger Brønsted acid groups, such as Ti and Al, hydrolysis of iminium species produced upon C - C bond formation is the rate-limiting step. Finally, theoretical analysis shows further that the apparent activation energy decreases with increasing Brønsted acidity of the M - OH groups, consistent with experimental observation.

aldol reaction↗
DOE OSTI2015

X-ray insights into the nature of PHL 1811 analogs and weak emission-line quasars: Unification with a geometrically thick accretion disk?

We present an X-ray and multiwavelength study of 33 weak emission-line quasars (WLQs) and 18 quasars that are analogs of the extreme WLQ, PHL 1811, at z≈0.5–2.9. New Chandra 1.5–9.5 ks exploratory observations were obtained for 32 objects while the others have archival X-ray observations. Significant fractions of these luminous type 1 quasars are distinctly X-ray weak compared to typical quasars, including 16 (48%) of the WLQs and 17 (94%) of the PHL 1811 analogs with average X-ray weakness factors of 17 and 39, respectively. We measure a relatively hard (Γ=1.16{sub −0.32}{sup +0.37}) effective power-law photon index for a stack of the X-ray weak subsample, suggesting X-ray absorption, and spectral analysis of one PHL 1811 analog, J1521+5202, also indicates significant intrinsic X-ray absorption. We compare composite Sloan Digital Sky Survey spectra for the X-ray weak and X-ray normal populations and find several optical–UV tracers of X-ray weakness, e.g., Fe ii rest-frame equivalent width (REW) and relative color. We describe how orientation effects under our previously proposed “shielding-gas” scenario can likely unify the X-ray weak and X-ray normal populations. We suggest that the shielding gas may naturally be understood as a geometrically thick inner accretion disk that shields the broad line region from the ionizing continuum. If WLQs and PHL 1811 analogs have very high Eddington ratios, the inner disk could be significantly puffed up (e.g., a slim disk). Shielding of the broad emission-line region by a geometrically thick disk may have a significant role in setting the broad distributions of C iv REW and blueshift for quasars more generally.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Hydration and transport properties of cesium hydroxide and mixed cesium hydroxide–sodium nitrite aqueous solutions

Here, this study explores the hydration and transport properties of aqueous cesium hydroxide (CsOH) solution, with or without 1 molar (M) sodium nitrite (NaNO 2 ). Historic studies of electrolyte solutions indicate that Cs + ions decrease viscosity and increase diffusion rates, whereas OH − ions have the opposite effect. Here, the influence of OH − was dominant in CsOH solutions, leading to increased viscosity and reduced diffusion rates. There was a linear relationship between diffusion coefficients and water activity, emphasizing the significant role of ion–water interactions in determining transport properties. This may be because the interaction between Cs + and the anions is weak even when they are in direct contact with each other. The weakness of the ion-pairing was established through thermodynamic analysis. The findings suggest that ion-pairing is not the only important interaction controlling transport properties when ion-pairing is weak. Nonetheless, ion-pairing or obstructions did result in more sluggish transport properties as electrolyte concentrations increased. Overall, the research enhances the understanding of the complexities underlying ion interactions in multicomponent solutions.

Reynolds, Jacob G. [Hanford Site (HNF), Richland, ↗
NASA NTRS2011

On the Accuracy of Double Scattering Approximation for Atmospheric Polarization Computations

Interpretation of multi-angle spectro-polarimetric data in remote sensing of atmospheric aerosols require fast and accurate methods of solving the vector radiative transfer equation (VRTE). The single and double scattering approximations could provide an analytical framework for the inversion algorithms and are relatively fast, however accuracy assessments of these approximations for the aerosol atmospheres in the atmospheric window channels have been missing. This paper provides such analysis for a vertically homogeneous aerosol atmosphere with weak and strong asymmetry of scattering. In both cases, the double scattering approximation gives a high accuracy result (relative error approximately 0.2%) only for the low optical path - 10(sup -2) As the error rapidly grows with optical thickness, a full VRTE solution is required for the practical remote sensing analysis. It is shown that the scattering anisotropy is not important at low optical thicknesses neither for reflected nor for transmitted polarization components of radiation.

Korkin, Sergey V.↗
DOE OSTI2015

On the properties of Au2₂P₃ z (z = -1, 0, +1): analysis of geometry, interaction, and electron density

Au₂P₃, the only metastable binary phase of gold phosphide, has been discovered to exhibit remarkable semiconductor properties among metal phosphides. A systematic study on the geometry, the transformation of Au₂P₃ into different valence states and the different interactions among the atoms of the species is performed by using the density functional theory (DFT) method. The global minimum of Au₂P₃- is a 3D structure with C s symmetry. This structure could be distorted from a planar configuration of Au₂P₃ which decreases the steric effect on it and leads to a new stable configuration. An analogous planar configuration, a local minimum rather than a global minimum, is also found in Au₂P₃⁺, due to the electron effect acting on the structure. Natural bond orbital (NBO) analysis reveals the re-distribution progression of the charge within the species. The central located Au atom and another no. 5 positioned P atom play significant roles on the structures. P5, as an electron adjuster, balances the electron distribution at different valence states of the structures. Deformation density analysis supplies information about charge transfer and the bonding type between two adjacent atoms as well. Looking deep into the bonding types, as electron localization function (ELF) suggests, the interaction between two adjacent P atoms (P3 and P4) of Au₂P₃ belongs to a strong covalent bond. The Au–P interactions among the configurations could be classified as weak classical covalent bonds through the atoms in molecules (AIM) dual parameter analysis. And for the first time, the weak interaction between the two adjacent Au atoms (Au1 and Au2) of the charged states of Au₂P₃ (Au₂P₃⁻ and Au₂P₃⁺), are verified and different from the neutral Au₂P₃ through the reduced density gradient (RDG) analysis.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2017

Use of significance thresholds to integrate cumulative effects into project-level socio-economic impact assessment in Canada

A longstanding critique of project-level environmental assessment is that it is weak at addressing cumulative effects, and because of this many argue that cumulative effects are best managed at a regional scale. However, in the absence of regional management it is important that project-level assessment supports cumulative effects management as best as possible. In this paper we present case study socio-economic impact assessments of liquefied natural gas development on Aboriginal groups on Canada's west coast. The case studies use an analytical structure modified from typical Canadian practice including unambiguous and non-arbitrary significance thresholds grounded in stakeholder values to focus baselines, impact assessment, and significance determination on cumulative effects. This approach is found to be more capable of informing decision-makers on cumulative effects as well as more rigorous and transparent than typical assessments. Much of this approach is not conceptually new, but at least in western Canada such an approach is not typically used or meaningfully implemented by practitioners. As such, the case studies serve to illustrate how practice can bolster project-level assessment. - Highlights: •Typical project assessment is weak with respect to cumulative effects. •Modified analysis structure and thresholds enable a focus on cumulative effects. •Clear, value-based thresholds make analysis rigorous, transparent, and democratic.

03 NATURAL GAS↗
DOE OSTI2013

Hyperon Photoproduction from Polarized H and D: towards a complete N* experiment

New complete experiments in pseudoscalar meson photo-production are being pursued at several laboratories. Here the designation of complete refers to measurements of most if not all of the possible reaction observables, of which there are 16 involving spins of the beam, target and recoil baryon. Hyperon production to Λ or Σ{sup +} final states affords attractive opportunities, since their weak decays provide an efficient self-analysis of their polarization. When the beam and target are also polarized, the resulting triple polarization measurements determine the full suite of observables with a single target orientation. This has been a focus at Jefferson Lab in the recently completed g9/FROST and g14/HDice experiments now under analysis. Multipole analyses of γp->K{sup +}Λ have been carried out with a large though incomplete set of recently published polarization data, and the uniqueness of the extracted amplitudes has been studied. Experiments with realistically achievable uncertainties require a significantly greater number of spin asymmetries than the in-principle minimum needed for a mathematical solution of the amplitude.

Baryon resonances↗
DOE OSTI2015

Transport of U(VI) through sediments amended with phosphate to induce in situ uranium immobilization

Phosphate amendments can be added to U(VI)-contaminated subsurface environments to promote in situ remediation. The primary objective of this study was to evaluate the impacts of phosphate addition on the transport of U(VI) through contaminated sediments. In batch experiments using sediments (<2 mm size fraction) from a site in Rifle, Colorado, U(VI) only weakly adsorbed due to the dominance of the aqueous speciation by CaeU(VI)-carbonate complexes. Column experiments with these sediments were performed with flow rates that correspond to a groundwater velocity of 1.1 m/day. In the absence of phosphate, the sediments took up 1.68e1.98 mg U/g of sediments when the synthetic groundwater influent contained 4 mM U(VI). When U(VI)-free influents were then introduced with and without phosphate, substantially more uranium was retained within the column when phosphate was present in the influent. Sequential extractions of sediments from the columns revealed that uranium was uniformly distributed along the length of the columns and was primarily in forms that could be extracted by ion exchange and contact with a weak acid. Laser induced fluorescence spectroscopy (LIFS) analysis along with sequential extraction results suggest adsorption as the dominant uranium uptake mechanism. The response of dissolved uranium concentrations to stopped-flow events and the comparison of experimental data with simulations from a simple reactive transport model indicated that uranium adsorption to and desorption from the sediments was not always at local equilibrium.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Nonzero Berry phase in quantum oscillations from giant Rashba-type spin splitting in LaTiO 3 /SrTiO 3 heterostructures

The manipulation of the spin degrees of freedom in a solid has been of fundamental and technological interest recently for developing high-speed, low-power computational devices. There has been much work focused on developing highly spin-polarized materials and understanding their behavior when incorporated into so-called spintronic devices. These devices usually require spin splitting with magnetic fields. However, there is another promising strategy to achieve spin splitting using spatial symmetry breaking without the use of a magnetic field, known as Rashba-type splitting. Here we report evidence for a giant Rashba-type splitting at the interface of LaTiO 3 and SrTiO 3 . Analysis of the magnetotransport reveals anisotropic magnetoresistance, weak anti-localization and quantum oscillation behavior consistent with a large Rashba-type splitting. It is surprising to find a large Rashba-type splitting in 3 d transition metal oxide-based systems such as the LaTiO 3 /SrTiO 3 interface, but it is promising for the development of a new kind of oxide-based spintronics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Beyond traditional diagnostics: Identifying active galactic nuclei using spectral energy distribution fitting in DESI data

Active galactic nuclei (AGN) are typically identified through their distinctive X-ray or radio emissions, mid-infrared (MIR) colors, or emission lines. However, each method captures different subsets of AGN due to signal-to-noise (S/N) limitations, redshift coverage, and extinction effects, underscoring the necessity for a multiwavelength approach for comprehensive AGN samples. This study explores the effectiveness of spectral energy distribution (SED) fitting as a robust method for AGN identification. Using CIGALE optical-MIR SED fits on DESI Early Data Release galaxies, we compare SED-based AGN selection (AGNFRAC ≥ 0.1) with traditional methods including BPT diagrams, WISE colors, X-ray, and radio diagnostics. The SED fitting identifies ∼70% of narrow- and broad-line AGN and 87% of WISE-selected AGN. Incorporating high S/N WISE photometry reduces star-forming galaxy contamination from 62% to 15%. Initially, ∼50% of SED-AGN candidates are undetected by standard methods, but additional diagnostics classify ∼85% of these sources, revealing low-ionization nuclear emission-line regions and retired galaxies potentially representing evolved systems with weak AGN activity. Further spectroscopic and multiwavelength analysis will be essential to determine the true AGN nature of these sources. SED fitting provides complementary AGN identification, unifying multiwavelength AGN selections. This approach enables more complete – albeit somewhat contaminated – AGN samples, which are essential for upcoming large-scale surveys where spectroscopic diagnostics may be limited.

Seyfert↗
DOE OSTI2013

Model-independent quantitative measurement of nanomechanical oscillator vibrations using electron-microscope linescans

Nanoscale mechanical resonators are highly sensitive devices and, therefore, for application as highly sensitive mass balances, they are potentially superior to micromachined cantilevers. The absolute measurement of nanoscale displacements of such resonators remains a challenge, however, since the optical signal reflected from a cantilever whose dimensions are sub-wavelength is at best very weak. We describe a technique for quantitative analysis and fitting of scanning-electron microscope (SEM) linescans across a cantilever resonator, involving deconvolution from the vibrating resonator profile using the stationary resonator profile. This enables determination of the absolute amplitude of nanomechanical cantilever oscillations even when the oscillation amplitude is much smaller than the cantilever width. This technique is independent of any model of secondary-electron emission from the resonator and is, therefore, applicable to resonators with arbitrary geometry and material inhomogeneity. We demonstrate the technique using focussed-ion-beam–deposited tungsten cantilevers of radius ∼60–170 nm inside a field-emission SEM, with excitation of the cantilever by a piezoelectric actuator allowing measurement of the full frequency response. Oscillation amplitudes approaching the size of the primary electron-beam can be resolved. We further show that the optimum electron-beam scan speed is determined by a compromise between deflection of the cantilever at low scan speeds and limited spatial resolution at high scan speeds. Our technique will be an important tool for use in precise characterization of nanomechanical resonator devices.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Linear mean free path and quadratic temperature dependence of electron-phonon scattering rate in V{sub 82}Al{sub 18-x}Fe{sub x} alloys at low temperature

We have reported a comprehensive study on temperature and disorder dependence of inelastic electron dephasing scattering rate in disordered V{sub 82}Al{sub 18-x}Fe{sub x} alloys. The dephasing scattering time has been measured by analysis of low field magnetoresistance using the weak localization theory. In absence of magnetic field the variation of low temperature resistivity rise follows the relation Δρ(T)∝−ρ{sub 0}{sup 5/2}√(T), which is well described by three-dimensional electron-electron interactions. The temperature-independent dephasing rate strongly depends on disorder and follows the relation τ{sub 0}{sup −1}∝l{sub e}, where l{sub e} is the electron elastic mean free path. The inelastic electron-phonon scattering rate obeying the anomalous relation τ{sub e−ph}{sup −1}∝T{sup 2}l{sub e}. This anomalous behavior of τ{sub e−ph}{sup −1} cannot be explained in terms of current theories for electron-phonon scattering in impure dirty conductors.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Galileon bounce after ekpyrotic contraction

We consider a simple cosmological model that includes a long ekpyrotic contraction stage and smooth bounce after it. Ekpyrotic behavior is due to a scalar field with a negative exponential potential, whereas the Galileon field produces bounce. We give an analytical picture of how the bounce occurs within the weak gravity regime, and then perform numerical analysis to extend our results to a non-perturbative regime.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Constraining IGM enrichment and metallicity with the C iv forest correlation function

ABSTRACT The distribution and abundance of metals in the diffuse intergalactic medium (IGM) have implications for galaxy formation and evolution models, and has been argued to be sensitive to the Universe’s reionization history. However, reduced sensitivity in the near-IR implies that probing IGM metals at z > 4 is currently out of reach with the traditional method of detecting individual absorbers. We present a new technique based on clustering analysis that enables the detection of these weak IGM absorbers. We investigate the two-point correlation function (2PCF) of the ${\rm C\, {\small IV}}$ forest as a probe of IGM metallicity and enrichment topology by simulating the z = 4.5 IGM with models of inhomogeneous metal distributions. The 2PCF of the ${\rm C\, {\small IV}}$ forest demonstrates a clear peak at a characteristic separation corresponding to the doublet separation of the ${\rm C\, {\small IV}}$ line.The peak amplitude scales quadratically with metallicity, while enrichment topology affects both the shape and amplitude of the 2PCF. For models consistent with the distribution of metals at z ∼ 3, we find that we can constrain [C/H] to within 0.2 dex, log$\, M_{\rm {min}}$ to within 0.4 dex, and R to within 15 per cent. We show that CGM absorbers can be reliably identified and masked, thus recovering the underlying IGM signal. The auto-correlation of the metal-line forest presents a compelling avenue to constrain the IGM metallicity and enrichment topology with high precision at z > 4, thereby pushing such measurements into the Epoch of Reionization.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Modelling baryonic physics in future weak lensing surveys

Modifications of the matter power spectrum due to baryonic physics are one of the major theoretical uncertainties in cosmological weak lensing measurements. Developing robust mitigation schemes for this source of systematic uncertainty increases the robustness of cosmological constraints, and may increase their precision if they enable the use of information from smaller scales. Here we explore the performance of two mitigation schemes for baryonic effects in weak lensing cosmic shear: the principal component analysis (PCA) method and the halo-model approach in hmcode. We construct mock tomographic shear power spectra from four hydrodynamical simulations, and run simulated likelihood analyses with cosmolike assuming LSST-like survey statistics. With an angular scale cut of ℓmax < 2000, both methods successfully remove the biases in cosmological parameters due to the various baryonic physics scenarios, with the PCA method causing less degradation in the parameter constraints than hmcode. For a more aggressive ℓmax = 5000, the PCA method performs well for all but one baryonic physics scenario, requiring additional training simulations to account for the extreme baryonic physics scenario of Illustris; hmcode exhibits tensions in the 2D posterior distributions of cosmological parameters due to lack of freedom in describing the power spectrum for $k \gt 10\ h^{-1}\, \mathrm{Mpc}$. We investigate variants of the PCA method and improve the bias mitigation through PCA by accounting for the noise properties in the data via Cholesky decomposition of the covariance matrix. Our improved PCA method allows us to retain more statistical constraining power while effectively mitigating baryonic uncertainties even for a broad range of baryonic physics scenarios.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Atomistic mechanisms for bilayer growth of graphene on metal substrates

Epitaxial growth on metal substrates has been shown to be the most powerful approach in producing large-scale high-quality monolayer graphene, yet it remains a major challenge to realize uniform bilayer graphene growth. Here we carry out a comparative study of the atomistic mechanisms for bilayer graphene growth on the (111) surfaces of Cu and Ni, using multiscale approaches combining first-principles calculations and rate-equation analysis. We first show that the relatively weak graphene-Cu interaction enhances the lateral diffusion and effective nucleation of C atoms underneath the graphene island, thereby making it more feasible to grow bilayer graphene on Cu. In contrast, the stronger graphene-Ni interaction suppresses the lateral mobility and dimerization of C atoms underneath the graphene, making it unlikely to achieve controlled growth of bilayer graphene on Ni. We then determine the critical graphene size beyond which nucleation of the second layer will take place. Intriguingly, the critical size exhibits an effective inverse "Ehrlich-Schwoebel barrier" effect, becoming smaller for faster C migration from the Cu surface to the graphene-Cu interface sites across the graphene edge. Lastly, these findings allow us to propose a novel alternating growth scheme to realize mass production of bilayer graphene.

36 MATERIALS SCIENCE↗