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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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1,794 records · Page 100
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

On the stability of pick-up ion ring distributions in the outer heliosheath

The 'secondary energetic neutral atom (ENA)' hypothesis for the ribbon feature observed by the Interstellar Boundary Explorer (IBEX) posits that the neutral component of the solar wind continues beyond the heliopause and charge exchanges with interstellar ions in the Outer Heliosheath (OHS). This creates pick-up ions that gyrate about the draped interstellar magnetic field (ISMF) lines at pitch angles near 90° on the locus where the ISMF lies tangential to the heliopause and perpendicular to the heliocentric radial direction. This location closely coincides with the location of the ribbon feature according to the prevailing inferences of the ISMF orientation and draping. The locally gyrating ions undergo additional charge exchange and escape as free-flying neutral atoms, many of which travel back toward the inner solar system and are imaged by IBEX as a ribbon tracing out the locus described above. For this mechanism to succeed, the pick-up ions must diffuse in pitch angle slowly enough to permit secondary charge exchange before their pitch angle distribution substantially broadens away from 90°. Previous work using linear Vlasov dispersion analysis of parallel propagating waves has suggested that the ring distribution in the OHS is highly unstable, which, if true, would make the secondary ENA hypothesis incapable of rendering the observed ribbon. In this paper, we extend this earlier work to more realistic ring distribution functions. We find that, at the low densities necessary to produce the observed IBEX ribbon via the secondary ENA hypothesis, growth rates are highly sensitive to the temperature of the beam and that even very modest temperatures of the ring beam corresponding to beam widths of <1° are sufficient to damp the self-generated waves associated with the ring beam. Thus, at least from the perspective of linear Vlasov dispersion analysis of parallel propagating waves, there is no reason to expect that the ring distributions necessary to produce the observed IBEX ENA flux via the secondary ENA hypothesis will be unstable to their own self-generated turbulence.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Temperature dependence of resistivity of carbon micro/nanostructures: Microscale spatial distribution with mixed metallic and semiconductive behaviors

The temperature coefficient of resistivity (θ T ) of carbon-based materials is a critical property that directly determines their electrical response upon thermal impulses. It could have metal- (positive) or semiconductor-like (negative) behavior, depending on the combined temperature dependence of electron density and electron scattering. Its distribution in space is very difficult to measure and is rarely studied. Here, for the first time, we report that carbon-based micro/nanoscale structures have a strong non-uniform spatial distribution of θ T . This distribution is probed by measuring the transient electro-thermal response of the material under extremely localized step laser heating and scanning, which magnifies the local θ T effect in the measured transient voltage evolution. For carbon microfibers (CMFs), after electrical current annealing, θ T varies from negative to positive from the sample end to the center with a magnitude change of >130% over <1 mm. This θ T sign change is confirmed by directly testing smaller segments from different regions of an annealed CMF. For micro-thick carbon nanotube bundles, θ T is found to have a relative change of >125% within a length of ~2 mm, uncovering strong metallic to semiconductive behavior change in space. In conclusion, our θ T scanning technique can be readily extended to nm-thick samples with μm scanning resolution to explore the distribution of θ T and provide a deep insight into the local electron conduction.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Microstructures and photocatalytic properties of Ag{sup +} and La{sup 3+} surface codoped TiO{sub 2} films prepared by sol-gel method

Ag{sup +} and La{sup 3+} surface codoped TiO{sub 2} films were successfully prepared by the improved sol-gel and doping processes. The as-prepared specimens were characterized using differential thermal analysis-thermogravimetry (DTA-TG), X-ray diffraction (XRD), high-resolution field emission scanning electron microscopy (FE-SEM), X-ray energy dispersive spectroscopy (EDS), Brunauer-Emmett-Teller (BET) surface area, Photoluminescence spectrum (PL) and UV-vis diffuse reflectance spectroscopy. The photocatalytic activities of the films were evaluated by degradation of an organic dye in aqueous solution. The results of XRD, FE-SEM and BET analyses indicated that the TiO{sub 2} films were composed of nano-particles or aggregates with a size of less than 10 nm. With the codoping of Ag{sup +} and La{sup 3+}, TiO{sub 2} films with high photocatalytic activity and clearly responsive to the visible light were obtained. The improvement mechanism by ions doping was also discussed. - Graphical Abstract: The PL intensity of Ag{sup +} and La{sup 3+} surface codoped TiO{sub 2} was the lowest among all samples, indicating the recombination of electron and hole was effectively prohibited compared with pure TiO{sub 2}, Ag{sup +} and La{sup 3+} bulk codoped TiO{sub 2}. Highlights: > Ag{sup +} and La{sup 3+} codoping can reduce the crystal size of TiO{sub 2}. > Ag{sup +} and La{sup 3+} surface codoped TiO{sub 2} films have an obvious optical response red-shift. > Ag{sup +} and La{sup 3+} surface codoped TiO{sub 2} films can exhibit excellent photocatalytic activity under both UV and visible light irradiations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Challenges of standard halo models in constraining galaxy properties from cosmic infrared background anisotropies

The halo model, combined with halo occupation distribution (HOD) prescriptions, is widely used to interpret cosmic infrared background (CIB) anisotropies and extract physical information about star-forming galaxies and their connection to large-scale structures. Recent CIB-specific implementations of the halo model have adopted more physical parameterizations. However, the extent to which these models can reliably recover meaningful physical parameters remains uncertain. We assessed whether the current parameterization of CIB halo models is sufficient to recover astrophysical quantities, such as star formation efficiency, η(M h , z), and halo mass at which the peak of star formation efficiency occurs, M max , when fit to mock data. We also assessed whether discrepancies arise from assumptions about galaxy emission (the HOD ingredients) or from more fundamental components in the halo model, such as bias and matter clustering. We fit the M21 CIB HOD model, implemented within the halo model framework, to mock CIB power spectra and star formation rate density (SFRD) data generated from the SIDES-Uchuu simulation, and compared the best-fit parameters to the known simulation inputs. We then repeated the analysis using a simplified version of the simulation (SSU), explicitly designed to match the HOD assumptions. A detailed comparison of model and simulation outputs was carried out to trace the origin of observed discrepancies. While the M21 HOD model provides a good fit to the mock data, it failed to recover the intrinsic parameters accurately, particularly the halo mass at which star formation efficiency peaks. This mismatch persists even when fitting data generated with the same model assumptions. We find strong agreement (within 5%) in the emission-related components (SFRD, emissivity), but observe a scale- and redshift-dependent offset exceeding 20% in the two-halo term of the CIB power spectrum. This likely arises from limitations in the treatment of halo bias and matter clustering within the linear approximation. Additionally, incorporating scatter in the SFR–halo mass relation and the spectral energy distribution (SED) templates significantly affects the shot noise (∼50%), but has only a modest impact (less than 10%) on the clustered component. These results suggest that recovering physical parameters from CIB clustering requires improvements to the cosmological ingredients of the halo model framework, such as adopting scale-dependent halo bias and nonlinear matter power spectra in addition to careful modeling of emission physics.

cosmic background radiation↗
DOE OSTI2011

Biomimetic synthesis of aragonite superstructures using hexamethylenetetramine

In this paper, biomimetic synthesis of aragonite superstructures using a low molecular weight organic-hexamethylenetetramine (HMT) as an additive in the presence of CO{sub 2} supplied by an ammonium carbonate ((NH{sub 4}){sub 2}CO{sub 3}) diffusion method at room temperature was studied. The products were characterized by scanning or transmission electron microscopy, Fourier transform infrared (FT-IR) spectroscopy, X-ray powder diffractometry, and selected area electron diffraction. The results showed the aragonite superstructures especially dumbbell-flower-like ones were obtained. The formation process of calcium carbonate (CaCO{sub 3}) in HMT aqueous solution was investigated, suggesting that the products transformed from calcite to vaterite primarily, and then changed into a mixture of aragonite and calcite with an increase of reaction time. The formation mechanism of CaCO{sub 3} in HMT solution was also discussed, revealing that aragonite might be controlled by HMT molecules and NH{sub 4}{sup +} ions together. - Graphical abstract: The well-defined aragonite hierarchical superstructures are formed using hexamethylenetetramine in aqueous solution. Highlights: > Aragonite superstructures are formed with hexamethylenetetramine at about 25 deg. C. > Dumbbell-flower-like aragonite produces when hexamethylenetetramine/Ca{sup 2+}=10:1. > CaCO{sub 3} formation in hexamethylenetetramine solution violates the Ostwald ripening. > Hexamethylenetetramine and NH{sub 4}{sup +} might control the growth of aragonite together.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Neutron matter from local chiral effective field theory interactions at large cutoffs

Neutron matter is an important many-body system that provides valuable constraints for the equation of state (EOS) of neutron stars. Neutron-matter calculations employing chiral effective field theory (EFT) interactions have been extensively used for this purpose. Among the various many-body methods, quantum Monte Carlo (QMC) methods stand out due to their nonperturbative nature and the achievable precision. However, QMC methods require local interactions as input, which leads to the appearance of stronger regulator artifacts compared to nonlocal interactions. To circumvent this, we employ large-cutoff interactions derived within chiral EFT (400 MeV ≤ Λ 𝑐 ≤ 700MeV) for studies of pure neutron matter. These interactions have been adjusted to nucleon-nucleon scattering phase shifts, the triton binding energy, as well as the triton 𝛽-decay half-life. We find that regulator artifacts significantly decrease with increasing cutoff, leading to a significant reduction of uncertainties in the neutron-matter EOS. We discuss implications for the symmetry energy and demonstrate how our new calculations lead to a reduction in the theoretical uncertainty of predicted neutron-star radii by up to 30% for low-mass stars.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Self-Assembled Bolaamphiphile-Based Organic Nanotubes as Efficient Cu(II) Ion Adsorbents

Self-assembled organic nanotubes (ONTs) have been actively examined for various applications such as chemical separations and catalysis owing to their well-defined tubular nanostructures with distinct chemical environments at the wall and internal/external surfaces. Adsorption of heavy metal ions onto ONTs plays an essential role in many of these applications, but it has rarely been assessed quantitatively. Herein, we investigated interactions between Cu 2+ and single-/quadruple-wall bolaamphiphile-based ONTs having inner carboxyl groups with different inner diameters, COOH-ONT 10nm and COOH-ONT 20nm . We first examined the effects of Cu 2+ on their nanotubular structures using SAXS, STEM, and AFM. COOH-ONT 10nm was stable in aqueous Cu 2+ solution in contrast to COOH-ONT 20nm owing to the presence of polyglycine-II-type hydrogen bonding networks within its wall. Subsequently, we studied the Cu 2+ adsorption behavior of COOH-ONT 10nm by monitoring the concentration of unbound Cu 2+ using linear sweep anodic stripping voltammetry. The Cu 2+ adsorption was quick, attributable to efficient Cu 2+ partitioning through the open ends of the ONT, followed by fast Cu 2+ diffusion in the uniform, relatively large nanochannel. More importantly, the Cu 2+ adsorption capacity and affinity of COOH-ONT 10nm were measured at different pH using the Langmuir adsorption model. The adsorption capacity was similar at the pH range examined, showing the participation of approximately 25% of the inner carboxyl groups in the adsorption. The adsorption affinity increased with pH, indicating the essential role of the deprotonated carboxyl groups in the Cu 2+ adsorption. Most interestingly, the Langmuir adsorption constant was significantly higher than those of previously reported synthetic adsorbents and planar monolayer based on carboxyl binding sites. The high Cu 2+ affinity of the ONT was attributable to the highly dense binding sites on the well-defined nanoscale concave structure of the inner channel. Furthermore, these results provide a valuable guideline to designing self-assembled nanomaterials for efficient chemical separations, detection, and catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Evaluation of methods for characterizing the fine particulate matter emissions from aircraft and other diffusion flame combustion aerosol sources

The U. S. Environmental Protection Agency in collaboration with the U. S. Air Force Arnold Engineering Development Complex conducted the VAriable Response In Aircraft nvPM Testing (VARIAnT) 3 and 4 test campaigns to compare nvPM emissions measurements from a variety of diffusion flame combustion aerosol sources (DFCASs), including a Cummins diesel engine, a diesel powered generator, two gas turbine start carts, a J85-GE-5 turbojet engine burning multiple fuels, and a Mini-CAST soot generator. The VARIAnT research program has conducted four test campaigns to date with the VARIAnT 3 and 4 test campaigns focusing on BC mass instrument performance, use of gas turbine engine sources for BC mass instrument calibration, and the characterization of the aerosols produced from the combustion sources. Results from both campaigns revealed agreement of about 20% between the AVL Micro-Soot Sensor, the Cavity Attenuated Phase Shift (CAPS PMSSA) monitor and the thermal-optical reference method for elemental carbon (EC), independent of the calibration source used. For the Artium LII-300, the measured mass concentrations in VARIAnT3 fall within 18% and in VARIAnT4 fall within 32% of the reference EC mass concentration when calibrated on a combustor rig in VARIAnT3 and on a LGT-60 start cart in VARIAnT4, respectively. It was also found that the three mass instrument types (MSS, CAPS PMSSA, and LII-300) can exhibit different BC to reference EC ratios depending on the emission source that appear to correlate to particle geometric mean mobility diameter, morphology, or some other parameter associated with particle geometric mean diameter (GMD) with the LII-300 showing a slightly stronger apparent trend with GMD. Systematic differences in LII-300 measured mass concentrations have been reduced by calibrating with a turbine combustion source (combustor or turbine engine). With respect to the particle size measurements made, the sizing instruments (TSI SMPS, TSI EEPS, and Cambustion DMS 500) were found to be in general agreement in terms of size distributions and concentrations with some exceptions. Teflon filter measurements of the total aerosol mass produced by the various DFCASs differed from the reference EC, BC, and integrated particle sized distribution measured aerosol masses. The Teflon filter measured mass was 30 to 40% greater than the reference EC and 50 to 60% greater than the BC mass for the J85 in both test campaigns. The measurements of particle size distributions and single particle analysis by miniSPLAT indicated the presence of large particles (>100 nm) having more compact morphologies, higher effective density, and a composition dominated by OC and ash. This increased large particle fraction is also associated with higher values of single scattering albedo measured by the CAPS PMSSA instrument and higher OC/EC measurements. These measurements indicate gas turbine engine emissions can be a more heterogeneous mix of particle types beyond the original E31 assumption that it is mainly composed of black carbon.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2012

Synthesis and characterization of (H{sub 2}dab){sub 2}Cu{sub 8}Ge{sub 4}S{sub 14}{center_dot}2H{sub 2}O: An expanded framework based on icosahedral Cu{sub 8}S{sub 12} cluster

A new three-dimensional framework copper-thiogermanate, (H{sub 2}dab){sub 2}Cu{sub 8}Ge{sub 4}S{sub 14}{center_dot}2H{sub 2}O (1), was prepared under solvothermal condition and characterized by elemental analysis, single-crystal and powder X-ray diffraction, thermogravimetric analysis and UV-vis diffuse reflectance spectroscopy. Compound 1 crystallizes in the monoclinic space group P2(1)/c, a=11.444(4) A, b=12.984(4) A, c=12.455(6) A, {beta}=91.527(1) Degree-Sign , V=1850.2(3) A{sup 3}, Z=2. It contains a new three-dimensional Cu-Ge-S framework constructed from icosahedral [Cu{sub 8}S{sub 12}]{sup 16-} clusters linked by [GeS{sub 4}]{sup 4-} and dimeric [Ge{sub 2}S{sub 6}]{sup 4-} units, with diprotonated 1,4-dab (1,4-diaminobutane) and H{sub 2}O molecules located in the intersecting channels. UV-vis reflectance spectroscopy reveals the band gap of compound 1 is 2.5 eV. - Graphical abstract: Compound 1 contains a 3D expanded framework constructed from icosahedral Cu{sub 8}S{sub 12} clusters linked by GeS{sub 4} and dimeric Ge{sub 2}S{sub 6} units, with diprotonated 1,4-dab and H{sub 2}O molecules located in the channels. Highlights: Black-Right-Pointing-Pointer A new 3-D framework copper-thiogermanate was prepared under solvothermal condition. Black-Right-Pointing-Pointer The framework is built up from icosahedral Cu{sub 8}S{sub 12} clusters linked by GeS{sub 4} and dimeric Ge{sub 2}S{sub 6} units. Black-Right-Pointing-Pointer The result provides a new strategy to expand octahedral SBUs-based framework. Black-Right-Pointing-Pointer Compound 1 is a semiconductor with the band gap of 2.5 eV.

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

Capturing Deuteration Effects in a Molecular Mechanics Force Field: Deuterated THF and the THF–Water Miscibility Gap

Deuteration is a common chemical modification used in conjunction with experiments such as neutron scattering, NMR, and Fourier-transform infrared for the study of molecular systems. Under the Born–Oppenheimer (BO) approximation, while the underlying potential energy surface remains unchanged by isotopic substitutions, isotopic substitution still alters intramolecular vibrations, which in turn may alter intermolecular interactions. Molecular mechanics (MM) force fields used in classical molecular dynamics simulations are assumed to represent local approximations of the BO potential energy surfaces, and hence, MD simulations using simple isotopic mass substitutions should capture BO-compatible isotope effects. However, standard MM force-field parameterizations do not directly fit to the local harmonic quantum mechanical (QM) Hessian that describes the BO surface, but rather to QM normal-modes and/or mass-dependent internal-coordinate derived distortion energies. In this study, using tetrahydrofuran (THF)–water mixtures as our model system, we show that not only does a simple mass-substitution approach fail to capture an experimentally characterized deuteration effect (the loss of the closed-loop miscibility gap associated with the complete deuteration of THF) but also it is necessary to generate new MM force-field parameters that correctly describe isotopic dependent vibrations to capture the experimental deuteration effect. We show that the origin of this failure is a result of using mass-dependent features to fit the THF MM force field, which unintentionally biases the bonded terms of the force field to represent only the isotopologue used during the original force-field parameterization. In addition, we make use of our isotopologue-corrected force field for D 8 THF to examine the molecular origins of the isotope-dependent loss of the THF–water miscibility gap.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Study on mechanism of photocatalytic performance of La-doped TiO{sub 2}/Ti photoelectrodes by theoretical and experimental methods

TiO{sub 2} photoelectrodes with various nanostructures have been successfully prepared by the anodization method. The morphology, microstructure and optical properties of as-prepared photoelectrodes were studied by scanning electron microscopy (SEM), X-ray diffraction (XRD), ultraviolet/visible light diffuse reflectance spectra (UV/vis/DRS), surface photovoltage spectroscopy (SPS) and photocurrent. The electronic structure and optical properties of La doped/undoped TiO{sub 2} photoelectrodes with different crystal structures were calculated by the density function theory. The photocatalytic and photoelectrocatalytic activities of as-prepared photoelectrodes were evaluated. The results showed that the anodization potentials played a crucial role in the surface morphology and microstructure. Both results of theoretical calculations and experimental tests demonstrated that La-doped photoelectrodes were more sensitive to light than undoped one. The difference of photoelectrodes performance was ascribed to the crystal configuration, impurity energy levels and long-range orientation moving of photogenerated carriers. - Graphical abstract: Photophysical chemistry processes in as-prepared TiO{sub 2} photoelectrodes. Overall scheme of TiO{sub 2} photoelectrodes: (A) movement of photoelectrons and holes without bias potentials; (B) movement of photoelectrons and holes at applied bias potentials; (a) and (b) were the transmission of photogenerated electrons and holes of local enlargement of (A) (black open circle): (a) photoelectrons movement in P-TiO{sub 2} photoelectrodes and La-TiO{sub 2} photoelectrodes, the red dot line denotes the top of valence band (VB) and the bottom of conduction band (CB) of pure photoelectrodes; (b) photoelectrons movement in P-160 and La-160 TiO{sub 2} photoelectrodes (mixed crystal phase). The number refers to as follows: (1) transmission process of photoelectrons and holes; (2) recombination process of photoelectrons and holes. Arrows represent the moving direction of photoelectrons. Highlights: Black-Right-Pointing-Pointer Morphology and structure of La-doped photoelectrodes. Black-Right-Pointing-Pointer Band gap and electric structure of La-doped and undoped photoelectrodes. Black-Right-Pointing-Pointer Optical, PECH, PC and PEC properties of La-TiO{sub 2} photoelectrodes. Black-Right-Pointing-Pointer Transmission process of photoelectron-hole pairs in La-TiO{sub 2} photoelectrodes.

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

Prompt D 0 , D + , and D* + production in Pb–Pb collisions at $ \sqrt{s_{\mathrm{NN}}} $ = 5.02 TeV

The production of prompt D 0 , D + , and D* + mesons was measured at midrapidity (|y| < 0.5) in Pb–Pb collisions at the centre-of-mass energy per nucleon–nucleon pair $\sqrt{s_{NN}}$ = 5.02 TeV with the ALICE detector at the LHC. The D mesons were reconstructed via their hadronic decay channels and their production yields were measured in central (0–10%) and semicentral (30–50%) collisions. The measurement was performed up to a transverse momentum (p T ) of 36 or 50 GeV/c depending on the D meson species and the centrality interval. For the first time in Pb–Pb collisions at the LHC, the yield of D 0 mesons was measured down to p T = 0, which allowed a model-independent determination of the p T -integrated yield per unit of rapidity (dN/dy). A maximum suppression by a factor 5 and 2.5 was observed with the nuclear modification factor (R AA ) of prompt D mesons at p T = 6–8 GeV/c for the 0–10% and 30–50% centrality classes, respectively. The D-meson RAA is compared with that of charged pions, charged hadrons, and J/ψ mesons as well as with theoretical predictions. The analysis of the agreement between the measured R AA , elliptic (v 2 ) and triangular (v 3 ) flow, and the model predictions allowed us to constrain the charm spatial diffusion coefficient D s . Furthermore the comparison of R AA and v 2 with different implementations of the same models provides an important insight into the role of radiative energy loss as well as charm quark recombination in the hadronisation mechanisms.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗