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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Electrodeposition of actinide compounds from an aqueous ammonium acetate matrix. Experimental development and optimization

Electrodeposition is a technique that is routinely employed in nuclear research for the preparation of thin solid films of actinide materials which can be used in accelerator beam bombardments, irradiation studies, or as radioactive sources. The present study investigates the deposition of both lanthanides and actinides from an aqueous ammonium acetate electrolyte matrix. Electrodepositions were performed primarily on stainless steel disks; with yield analysis evaluated using -spectroscopy. Experimental parameters were studied and modified in order to optimize the uniformity and adherence of the deposition while maximizing the yield. The initial development utilized samarium as the plating material, with and without a radioactive tracer. As a result, surface characterization studies were performed by scanning electron microscopy, electron microprobe analysis, radiographic imaging, and x-ray diffraction.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2016

Mn doping effect on optical and ESR studies of Zn{sub 1-x}Mn{sub x}O compound sintered at different temperatures

Polycrystalline bulk samples of Zn{sub 1-x}Mn{sub x}O with x=0.02, 0.04, 0.05 and sintered at different temperatures (500 °C & 800 °C) were studied to investigate the doping effect on the structural, optical properties and spin dynamics in ZnO system. The crystallite size was seen to decrease with no significant change in other structural parameters. FTIR study showed a small effect on the Zn-O stretching bond and other bonds due to presence of Mn. Calculation from UV-Vis spectra showed increase in the optical band gap in the low temperature sintered samples due to Mn doping. In the PL spectra, the UV emission seen to dominate for the 500 °C sintered sample, for 800 °C sample the visible emission dominate indicating increase in non-radiative emission. ESR signals obtained from the microwave absorption shows ferromagnetic signal for the low temperature sintered sample only with a g value of 2.004 for the 2% Mn doped sample. The number of spin participation for resonance is calculated from the ESR signal, which supports the magnetic behaviour of this particular sample.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Constraining the location of gamma-ray flares in luminous blazars

Locating the gamma-ray emission sites in blazar jets is a long standing and highly controversial issue. We jointly investigate several constraints on the distance scale r and Lorentz factor Γ of the gamma-ray emitting regions in luminous blazars (primarily flat spectrum radio quasars). Working in the framework of one-zone external radiation Comptonization models, we perform a parameter space study for several representative cases of actual gamma-ray flares in their multiwavelength context. We find a particularly useful combination of three constraints: from an upper limit on the collimation parameter Γθ ≲ 1, from an upper limit on the synchrotron self-Compton (SSC) luminosity L{sub SSC} ≲ L{sub X}, and from an upper limit on the efficient cooling photon energy E{sub cool,obs} ≲ 100 MeV. These three constraints are particularly strong for sources with low accretion disk luminosity L{sub d}. The commonly used intrinsic pair-production opacity constraint on Γ is usually much weaker than the SSC constraint. The SSC and cooling constraints provide a robust lower limit on the collimation parameter Γθ ≳ 0.1-0.7. Typical values of r corresponding to moderate values of Γ ∼ 20 are in the range 0.1-1 pc, and are determined primarily by the observed variability timescale t{sub var,obs}. Alternative scenarios motivated by the observed gamma-ray/millimeter connection, in which gamma-ray flares of t{sub var,obs} ∼ a few days are located at r ∼ 10 pc, are in conflict with both the SSC and cooling constraints. Moreover, we use a simple light travel time argument to point out that the gamma-ray/millimeter connection does not provide a significant constraint on the location of gamma-ray flares. We argue that spine-sheath models of the jet structure do not offer a plausible alternative to external radiation fields at large distances; however, an extended broad-line region is an idea worth exploring. We propose that the most definite additional constraint could be provided by determination of the synchrotron self-absorption frequency for correlated synchrotron and gamma-ray flares.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1983

Some dynamical design considerations for momentum biased spacecraft

This paper discusses some of the dynamical aspects that affect the attitude behavior of a spacecraft placed in a near earth polar orbit. The parameters such as atmospheric density variation, super-rotation of upper atmosphere, pitch equilibrium angle, and trim boom length selection to reduce pitch axis drift are considered. These parameters are studied with reference to two momentum biased satellities (Magsat and Dynamics Explorer-2) and the analyses are correlated with observed flight data. It is found that the design model of certain parameters has to be improved by including other phenomena so that flight data and the analytical model predictions have good correlations. The effects of mass imbalance on the orbital and nutational modes of the spacecraft attitude are discussed.

Sellappan, R. G.↗
DOE OSTI2011

Thermoluminescence (TL) Analysis and Fading Studies of Naturally Occurring Salt Irradiated by 500 mGy Gamma Rays

The aim of the present study was to investigate the potential of the naturally occurring salt for the dosimetry purposes, using TL. The fine powder samples (20 mg) were irradiated by {gamma}- rays from 500 mGy to 2500 mGy by using Theratron-780C Cobalt-60 source, however, this paper discusses about 500 mGy only. The TL glow curve peak parameters were studied by using Chen's peak shape equation. TL glow curves were compared with fitted curves using glow curve deconvolution (GCD) method by using Kitis expression. The kinetic parameter values (E, b and s) so calculated, are in good agreement with those available in literature. The calculated energy values were also verified by using various heating rate (VHR) method. {chi}{sup 2} test and figure of merit (FOM) calculation was done to accept the goodness of fit between the curves. Fading studies of the sample showed a good fitting between the curves. The analysis suggests that natural salt should be considered for dosimetry purposes.

36 MATERIALS SCIENCE↗
DOE OSTI2016

A comparative study of long and short GRBS. I. Overlapping properties

Gamma-ray bursts (GRBs) are classified into long and short categories based on their durations. Broadband studies suggest that these two categories of objects roughly correspond to two different classes of progenitor systems, i.e., compact star mergers (Type I) versus massive star core collapse (Type II). However, the duration criterion sometimes leads to mis-identification of the progenitor systems. We perform a comprehensive multi-wavelength comparative study between duration-defined long GRBs and short GRBs as well as the so-called “consensus” long GRBs and short GRBs (which are believed to be more closely related to the two types of progenitor systems). The parameters we study include two parts: the prompt emission properties including duration (T {sub 90}), spectral peak energy (E{sub p}), low energy photon index (α), isotropic γ-ray energy (E{sub γ,iso}), isotropic peak luminosity (L{sub p,iso}), and the amplitude parameters (f and f{sub eff}); and the host galaxy properties including stellar mass (M{sub ∗}), star formation rate, metallicity ([X/H]), half light radius (R {sub 50}), angular and physical (R{sub off}) offset of the afterglow from the center of the host galaxy, the normalized offset (r{sub off}=R{sub off}/R{sub 50}), and the brightness fraction F{sub light}. For most parameters, we find interesting overlapping properties between the two populations in both one-dimensional (1D) and 2D distribution plots. The three best parameters for the purpose of classification are T {sub 90}, f{sub eff}, and F{sub light}. However, no single parameter alone is good enough to place a particular burst into the right physical category, suggesting the need for multiple criteria for physical classification.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Influence of Solvent and Electric Field on the Structure and IR, {sup 31}P NMR Spectroscopic Properties of a Titanocene–Benzyne Complex

The effect of solvent on the structural, frontier orbital energies, global density-based descriptors, vibrational frequencies, and {sup 31}P NMR chemical shifts was examined for the syn-Cp{sub 2}Ti(η{sup 2}-C{sub 6}H{sub 4}-2-OMe)(PMe{sub 3}) complex by the self-consistent reaction field theory (SCRF) based on the polarizable continuum model (PCM). The studied spectroscopic parameters were correlated with the Kirkwood–Bauer–Magat (KBM) equation. Also, the response of the global density-based descriptors (chemical potential and hardness) in the presence of external electric field was studied. EDA, QTAIM, ELF, LOL, and NBO analyses were used for illustration of the Ti–C bond in this complex.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2003

Investigation of the Surface Stress in SiC and Diamond Nanocrystals by In-situ High Pressure Powder Diffraction Technique

The real atomic structure of nanocrystals determines key properties of the materials. For such materials the serious experimental problem lies in obtaining sufficiently accurate measurements of the structural parameters of the crystals, since very small crystals constitute rather a two-phase than a uniform crystallographic phase system. As a result, elastic properties of nanograins may be expected to reflect a dual nature of their structure, with a corresponding set of different elastic property parameters. We studied those properties by in-situ high-pressure powder diffraction technique. For nanocrystalline, even one-phase materials such measurements are particularly difficult to make since determination of the lattice parameters of very small crystals presents a challenge due to inherent limitations of standard elaboration of powder diffractograms. In this investigation we used our methodology of the structural analysis, the 'apparent lattice parameter' (alp) concept. The methodology allowed us to avoid the traps (if applied to nanocrystals) of standard powder diffraction evaluation techniques. The experiments were performed for nanocrystalline Sic and GaN powders using synchrotron sources. We applied both hydrostatic and isostatic pressures in the range of up to 40 GPa. Elastic properties of the samples were examined based on the measurements of a change of the lattice parameters with pressure. The results show a dual nature of the mechanical properties (compressibilities) of the materials, indicating a complex, core-shell structure of the grains.

Palosz, B.↗
DOE OSTI2014

Effect of polyvinylpyrrolidone on mesoporous silica morphology and esterification of lauric acid with 1-butanol catalyzed by immobilized enzyme

Mesoporous silica materials with a range of morphology evolution, i.e., from curved rod-shaped mesoporous silica to straight rod-shaped mesoporous silica, were successfully prepared using polyvinylpyrrolidone (PVP) and triblock copolymer as dual template. The effects of PVP molecular weight and concentration on mesoporous silica structure parameters were studied. Results showed that surface area and pore volume continuously decreased with increased PVP molecular weight. Mesoporous silica prepared with PVP K30 also possessed larger pore diameter, interplanar spacing (d{sub 100}), and cell parameter (a{sub 0}) than that prepared with PVP K15 and PVP K90. In addition, with increased PVP concentration, d{sub 100} and a{sub 0} continuously decreased. The mechanism of morphology evolution caused by the change in PVP concentration was investigated. The conversion rate of lauric acid with 1-butanol catalyzed by immobilized Porcine pancreatic lipase (PPL) was also evaluated. Results showed that PPL immobilized on amino-functionalized straight rod-shaped mesoporous silica maintained 50% of its esterification conversion rate even after five cycles of use with a maximum conversion rate was about 90.15%. - Graphical abstract: Curved rod-shaped mesoporous silica can be obtained at low and the highest PVP concentration, while straight rod-shaped mesoporous silica can be obtained at higher PVP concentration. - Highlights: • Mesoporous silica with morphology evolution from CRMS to SRMS were prepared. • Effects of PVP molecular weight and concentration on silica morphology were studied. • A possible mechanism for the formation of morphology evolution SiO{sub 2} was proposed. • Esterification of lauric acid with 1-butanol catalyzed by immobilized PPL.

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

Testing horizontal momentum boundary conditions in MPAS-Ocean

A rising concern within E3SM’s MPAS-Ocean is the implementation of boundary conditions. Currently, MPAS-Ocean utilizes a no-slip boundary condition, meaning that the velocity of fluid at the boundaries is zero; however, the model should should satisfy both no-slip and free-slip boundary conditions given the correct parameters. This study focuses on testing these boundary conditions in depth, determining the accuracy of the current implementation. To accomplish this, we focus on two test cases: the barotropic gyre and barotropic channel. By manipulating parameters and comparing the numerical to corresponding analytical solutions (when available), we show that MPAS-Ocean’s ability to satisfy both boundary conditions is promising.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2006

Additional Investigations of Ice Shape Sensitivity to Parameter Variations

A second parameter sensitivity study was conducted at the NASA Glenn Research Center's Icing Research Tunnel (IRT) using a 36 in. chord (0.91 m) NACA-0012 airfoil. The objective of this work was to further investigate the feasibility of using ice shape feature changes to define requirements for the simulation and measurement of SLD and appendix C icing conditions. A previous study concluded that it was feasible to use changes in ice shape features (e.g., ice horn angle, ice horn thickness, and ice shape mass) to detect relatively small variations in icing spray condition parameters (LWC, MVD, and temperature). The subject of this current investigation extends the scope of this previous work, by also examining the effect of icing tunnel spray-bar parameter variations (water pressure, air pressure) on ice shape feature changes. The approach was to vary spray-bar water pressure and air pressure, and then evaluate the effects of these parameter changes on the resulting ice shapes. This paper will provide a description of the experimental method, present selected experimental results, and conclude with an evaluation of these results.

Miller, Dean R.↗
DOE OSTI2019

Electronic Structure and Related Band Parameters of Hexagonal Wurtzite Zn{sub 1−x}Mn{sub x}O Magnetic Semiconducting Alloys

The electronic band structure and related band parameters such as, lattice parameters, energy band gaps, density of states and magnetic moment of Zn{sub 1−x}Mn{sub x}O ternary system in the hypothetical hexagonal wurtzite structure have been investigated. The calculations are performed using a full-potential linearized augmented plane wave method based on density functional theory in the generalized gradient approximation of Perdew-Burke-Ernzerhof. The evolution of the features of interest with increasing the Mn doping concentration from 0 to 1 in the ZnO structure has been examined and discussed. Our findings show that the behaviour of all studied band parameters with respect to the alloy composition x is consistent with those reported experimentally in the literature. The present study may be useful for spintronics applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2007

Greenland Ice Sheet Surface Temperature, Melt, and Mass Loss: 2000-2006

Extensive melt on the Greenland Ice Sheet has been documented by a variety of ground and satellite measurements in recent years. If the well-documented warming continues in the Arctic, melting of the Greenland Ice Sheet will likely accelerate, contributing to sea-level rise. Modeling studies indicate that an annual or summer temperature rise of 1 C on the ice sheet will increase melt by 20-50% therefore, surface temperature is one of the most important ice-sheet parameters to study for analysis of changes in the mass balance of the ice-sheet. The Greenland Ice Sheet contains enough water to produce a rise in eustatic sea level of up to 7.0 m if the ice were to melt completely. However, even small changes (centimeters) in sea level would cause important economic and societal consequences in the world's major coastal cities thus it is extremely important to monitor changes in the ice-sheet surface temperature and to ultimately quantify these changes in terms of amount of sea-level rise. We have compiled a high-resolution, daily time series of surface temperature of the Greenland Ice Sheet, using the I-km resolution, clear-sky land-surface temperature (LST) standard product from the Moderate-Resolution Imaging Spectroradiometer (MODIS), from 2000 - 2006. We also use Gravity Recovery and Climate Experiment (GRACE) data, averaged over 10-day periods, to measure change in mass of the ice sheet as it melt and snow accumulates. Surface temperature can be used to determine frequency of surface melt, timing of the start and the end of the melt season, and duration of melt. In conjunction with GRACE data, it can also be used to analyze timing of ice-sheet mass loss and gain.

Hall, Dorothy K.↗
DOE OSTI2024

High-throughput determination of Hubbard $U$ and Hund $J$ values for transition metal oxides via the linear response formalism

DFT+U provides a convenient, cost-effective correction for the self-interaction error (SIE) that arises when describing correlated electronic states using conventional approximate density functional theory (DFT). The success of a DFT+U(+J) calculation hinges on the accurate determination of its Hubbard U and Hund J parameters, and the linear response (LR) methodology has proven to be computationally effective and accurate for calculating these parameters. This study provides a high-throughput computational analysis of the U and J values for transition metal d-electron states in a representative set of over 1000 magnetic transition metal oxides (TMOs), providing a frame of reference for researchers who use DFT+U to study transition metal oxides. In order to perform this high-throughput study, an ATOMATE workflow is developed for calculating U and J values automatically on massively parallel supercomputing architectures. Here, to demonstrate an application of this workflow, the spin-canting magnetic structure and unit cell parameters of the multiferroic olivine LiNiPO4 are calculated using the computed Hubbard U and Hund J values for Ni-d and O-p states, and are compared with experiment. Both the Ni-d U and J corrections have a strong effect on the Ni-moment canting angle. Additionally, including a O-pU value results in a significantly improved agreement between the computed lattice parameters and experiment

36 MATERIALS SCIENCE↗
DOE OSTI2019

The Dissolution of Fe in HCl from the Ilmenite Concentrate; Evaluating the Effect of Operating Parameters and Mutual Interactions

Selective HCl dissolution of ilmenite components for obtaining Ti or titanium dioxide (TiO{sub 2}) has been highly recognized due to its advantages, greater environmental friendliness, and simplicity, compared to H{sub 2}SO{sub 4} and Cl{sub 2} methods. The effect of numerous parameters has been studied with the one-factor-at-a-time method. The present study aimed to evaluate the effect of key operation parameters, such as acid-to-solid ratio (A/S: 5 to 20 mL/g), reaction temperature (T: 70 °C to 100 °C), and acid concentration (A pct: 15 to 30 wt pct), on the dissolution of Fe in HCl solution with the minimum Ti losses to the leachate from its abundant, domestic, and low-cost mineral source (Kahnooj ilmenite concentrate) using central composite design–response surface methodology. After 90 minutes of leaching, the Ti/Fe (pct) in terms of dissolved amounts was selected as the process assessment response function. Based on the conducted experimental and statistical analysis, increasing the levels of parameters in the studied domain leads to an increase in Ti/Fe (pct), in the order of A pct > T > A/S. Two statistically significant mutual interactions between A/S-T and T-A pct, with 95 pct confidence level, were revealed for the first time in this study. The optimization strategy was set to the minimization of Ti/Fe (pct) by considering the objective of study and the selected response function. The A/S, T, and A pct were determined to be 5 mL/g, 70 °C, and 15 pct, respectively, for maximum impurity dissolution and minimum Ti loss to the leachate.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Modeling laser-driven ion acceleration with deep learning

Developments in machine learning promise to ameliorate some of the challenges of modeling complex physical systems through neural-network-based surrogate models. High-intensity, short-pulse lasers can be used to accelerate ions to mega-electronvolt energies, but to model such interactions requires computationally expensive techniques such as particle-in-cell simulations. Multilayer neural networks allow one to take a relatively sparse ensemble of simulations and generate a surrogate model that can be used to rapidly search the parameter space of interest. In this study, we created an ensemble of over 1,000 simulations modeling laser-driven ion acceleration and developed a surrogate to study the resulting parameter space. A neural-network-based approach allows for rapid feature discovery not possible for traditional parameter scans given the computational cost. A notable observation made during this study was the dependence of ion energy on the pre-plasma gradient length scale. While this methodology harbors great promise for ion acceleration, it has ready application to all topics in which large-scale parameter scans are restricted by significant computational cost or relatively large, but sparse, domains.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

A Singlet Extension of the Minimal Supersymmetric Standard Model: Towards a More Natural Solution to the Little Hierarchy Problem

In this work, I present a generalization of the Next-to-Minimal Supersymmetric Standard Model (NMSSM), with an explicit μ-term and a supersymmetric mass for the singlet superfield, as a route to alleviating the little hierarchy problem of the Minimal Supersymmetric Standard Model (MSSM). I analyze two limiting cases of the model, characterized by the size of the supersymmetric mass for the singlet superfield. The small and large limits of this mass parameter are studied, and I find that I can generate masses for the lightest neutral Higgs boson up to 140 GeV with top squarks below the TeV scale, all couplings perturbative up to the gauge unification scale, and with no need to fine tune parameters in the scalar potential. This model, which I call the S-MSSM is also embedded in a gauge-mediated supersymmetry breaking scheme. I find that even with a minimal embedding of the S-MSSM into a gauge mediated scheme, the mass for the lightest Higgs boson can easily be above 114 GeV, while keeping the top squarks below the TeV scale. Furthermore, I also study the forward-backward asymmetry in the t¯t system within the framework of the S-MSSM. For this purpose, non-renormalizable couplings between the first and third generation of quarks to scalars are introduced. The two limiting cases of the S-MSSM, characterized by the size of the supersymmetric mass for the singlet superfield is analyzed, and I find that in the region of small singlet supersymmetric mass a large asymmetry can be obtained while being consistent with constraints arising from flavor physics, quark masses and top quark decays.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Process Parameter Evaluation and Optimization for Advanced Material Development Final Report CRADA No. TC-1234-96

This project was established as a three-year collaboration to produce and characterize · silica aerogels prepared by a Rapid Supercritical Extraction (RSCE) process to meet . BNA, Inc. application requirements. The objectives of this project were to study the parameters necessary to produce optimized aerogel parts with narrowly specified properties and establish the range and limits of the process for producing such aerogels. The project also included development of new aerogel materials useful for high temperature applications. The results of the project were expected to set the conditions necessary to produce quantities of aerogels having particular specifications such as size, shape, density, and mechanical strength. BNA, Inc. terminated the project on April 7, 1999, 10-months prior to the anticipated completion date, due to termination of corporate funding for the project. The technical accomplishments achieved are outlined in Paragraph C below.

36 MATERIALS SCIENCE↗