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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS1975

Attitude determination of a high altitude balloon system. Part 2: Development of the parameter determination process

The attitude of the balloon system is determined as a function of time if: (a) a method for simulating the motion of the system is available, and (b) the initial state is known. The initial state is obtained by fitting the system motion (as measured by sensors) to the corresponding output predicted by the mathematical model. In the case of the LACATE experiment the sensors consisted of three orthogonally oriented rate gyros and a magnetometer all mounted on the research platform. The initial state was obtained by fitting the angular velocity components measured with the gyros to the corresponding values obtained from the solution of the math model. A block diagram illustrating the attitude determination process employed for the LACATE experiment is shown. The process consists of three essential parts; a process for simulating the balloon system, an instrumentation system for measuring the output, and a parameter estimation process for systematically and efficiently solving the initial state. Results are presented and discussed.

Nigro, N. J.↗
NASA NTRS1950

Preliminary analysis of problem of determining experimental performance of air-cooled turbine II : methods for determining cooling-air-flow characteristics

In the determination of the performance of an air-cooled turbine, the cooling-air-flow characteristics between the root and the tip of the blades must be evaluated. The methods, which must be verified and the unknown functions evaluated, that are expected to permit the determination of pressure, temperature, and velocity through the blade cooling-air passages from specific investigation are presented.

FLOW, COMPRESSIBLE↗
NASA NTRS1950

Preliminary analysis of problem of determining experimental performance of air-cooled turbine III : methods for determining power and efficiency

Suggested formula are given for determining air-cooled turbine-performance characteristics, such as power and efficiency, as functions of certain parameters. These functions, generally being unknown, are determined from experimental data obtained from specific investigations. Special plotting methods for isolating the effect of each parameter are outlined.

Ellerbrock, Herman H , Jr↗
DOE OSTI2015

Determination of the top-quark pole mass using tt¯ + 1-jet events collected with the ATLAS experiment in 7TeV pp collisions

In this study, the normalized differential cross section for top-quark pair production in association with at least one jet is studied as a function of the inverse of the invariant mass of the tt¯ + 1-jet system. This distribution can be used for a precise determination of the top-quark mass since gluon radiation depends on the mass of the quarks. The experimental analysis is based on proton-proton collision data collected by the ATLAS detector at the LHC with a centre-of-mass energy of 7 TeV corresponding to an integrated luminosity of 4.6 fb –1 . The selected events were identified using the lepton+jets top-quark-pair decay channel, where lepton refers to either an electron or a muon. The observed distribution is compared to a theoretical prediction at next-to-leading-order accuracy in quantum chromodynamics using the pole-mass scheme. With this method, the measured value of the top-quark pole mass, m pole t , is: m pole t = 173.7 ± 1.5(stat.) ± 1.4(syst.) +1.0 –0.5 (theory) GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

The Light-Front Schrödinger Equation and Determination of the Perturbative QCD Scale from Color Confinement

The valence Fock-state wavefunctions of the light-front QCD Hamiltonian satisfy a relativistic equation of motion with an effective confining potential U which systematically incorporates the effects of higher quark and gluon Fock states. If one requires that the effective action which underlies the QCD Lagrangian remains conformally invariant and extends the formalism of de Alfaro, Fubini and Furlan to light front Hamiltonian theory, the potential U has a unique form of a harmonic oscillator potential, and a mass gap arises. The result is a nonperturbative relativistic light-front quantum mechanical wave equation which incorporates color confinement and other essential spectroscopic and dynamical features of hadron physics, including a massless pion for zero quark mass and linear Regge trajectories with the same slope in the radial quantum number n and orbital angular momentum L. Only one mass parameter κ appears. Light-front holography thus provides a precise relation between the bound-state amplitudes in the fifth dimension of AdS space and the boost-invariant light-front wavefunctions describing the internal structure of hadrons in physical space-time. We also show how the mass scale κ underlying confinement and hadron masses determines the scale Λ {ovr MS} controlling the evolution of the perturbative QCD coupling. The relation between scales is obtained by matching the nonperturbative dynamics, as described by an effective conformal theory mapped to the light-front and its embedding in AdS space, to the perturbative QCD regime computed to four-loop order. The result is an effective coupling defined at all momenta. The predicted value Λ {ovr MS }=0.328±0.034 GeV is in agreement with the world average 0.339±0.010 GeV. The analysis applies to any renormalization scheme.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Experimental determination of lead carbonate solubility at high ionic strengths: A Pitzer model description

In this article, solubility measurements of lead carbonate, PbCO 3 (cr), cerussite, as a function of total ionic strengths are conducted in the mixtures of NaCl and NaHCO 3 up to I = 1.2 mol•kg –1 and in the mixtures of NaHCO 3 and Na 2 CO 3 up to I = 5.2 mol•kg –1 , at room temperature (22.5 ± 0.5 °C). The solubility constant (log K sp ) for cerussite, PbCO 3 (cr) = Pb 2+ + CO 3 2- was determined as –13.76 ± 0.15 (2σ) with a set of Pitzer parameters describing the specific interactions of PbCO 3 (aq), Pb(CO 3 ) 2 2- , and Pb(CO 3 )Cl – with the bulk-supporting electrolytes, based on the Pitzer model. The model developed in this work can reproduce the experimental results including model-independent solubility values from the literature over a wide range of ionic strengths with satisfactory accuracy. The model is expected to find applications in numerous fields, including the accurate description of chemical behavior of lead in geological repositories, the modeling of formation of oxidized Pb–Zn ore deposits, and the environmental remediation of lead contamination.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Predictive capability of a leaf optical meter for determining leaf pigment status during senescence

We conducted an experiment to assess the predictive capability of a leaf optical meter for determining leaf pigment status of Acer mono Maxim., A. ginnala Maxim., Quercus mongolica Fisch., and Cornus alba displaying a range of visually different leaf colors during senescence. Concentrations of chlorophyll (Chl) a, Chl b, and total Chl decreased while the concentration of carotenoids (Car) remained relatively static for all species as leaf development continued from maturity to senescence. C. alba exhibited the lowest average concentration of total Chl, Chl a, and Car, but the highest relative anthocyanin concentration, while Q. mongolica exhibited the highest total Chl, Chl b, and the lowest relative anthocyanin concentration. A. mono exhibited the highest Chl a and Car concentrations. The relationships between leaf pigments and the values measured by the optical meter generally followed an exponential function. The strongest relationships between leaf pigments and optical measurements were for A. mono, A. ginnala, and Q. mongolica (R 2 ranged from 0.64 to 0.95), and the worst relationship in C. alba (R 2 ranged from 0.13 to 0.67). Moreover, optical measurements were more strongly related to Chl a than to Chl b or total Chl. Optical measurements were not related to Car or relative anthocyanin concentrations. We predicted that weak relationships between leaf pigments and optical measurements would occur under very low Chl concentrations or under very high anthocyanin concentrations; however, these factors could not explain the weak relationship between Chl and optical measurements observed in C. alba. Overall, our results indicated that optical meter can accurately estimate leaf pigment concentrations during leaf senescence — a time when pigment concentrations are dynamically changing — but that the accuracy of the estimate varies across species. Future research should investigate how species-specific leaf traits may influence the accuracy of pigment estimates derived from optical meters.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Determining Individual Phase Properties in a Multi-phase Q&P Steel using Multi-scale Indentation Tests

A new inverse method was developed to predict the stress-strain behaviors of constituent phases in a multi-phase steel using the load-depth curves measured in nanoindentation tests combined with microhardness measurements. A power law hardening response was assumed for each phase, and an empirical relationship between hardness and yield strength was assumed. Adjustment was made to eliminate the indentation size effect and indenter bluntness effect. With the newly developed inverse method and statistical analysis of the hardness histogram for each phase, the average stress-strain curves of individual phases in a quench and partitioning (Q&P) steel, including austenite, tempered martensite and untempered martensite, were calculated and the results were compared with the phase properties obtained by in-situ high energy X-ray diffraction (HEXRD) test. It is demonstrated that multi-scale instrumented indentation tests together with the new inverse method are capable of determining the individual phase flow properties in multi-phase alloys.

Cheng, Guang↗
DOE OSTI2020

An Automated Ultraclean Ion Exchange Separation Method for the Determinations of 232Th and 238U in Copper using Inductively Coupled Plasma Mass Spectrometry

This work presents a novel automated analytical method developed for high throughput ultrasensitive determinations of Th and U in copper using inductively coupled plasma mass spectrometry (ICP-MS). The method is based on the use of ultra clean sample preparation procedures including the use of a fully automated off-line chromatography system for the extraction and pre-concentration of the analytes prior to ICP-MS analysis. The separation system is equipped with a single reusable chromatographic column that, with the rigorously clean procedures developed herein, provided a low carryover, low background, and reproducible automated separation method. Isotope dilution methods were used for quantitation. Method Detection Limits (MDLs) of 3.7 and 9.4 fg·g-1 were obtained for the quantitation of 232Th and 238U in copper, respectively, corresponding to activities of 0.0148 and 0.116 microBq·kg-1 for 232Th and 238U, respectively. The analytical method provided high and reproducible tracer recoveries. The use of an automated system significantly reduced the extremely tedious active work time required for the chemist (by ca. 80%) relative to manually performing the separation. This method could be adapted to other critical sample matrices requiring the utmost in high throughput clean chemistry procedures for automated ultrasensitive analyses.

Arnquist, Isaac J.↗
DOE OSTI2020

Trivalent f-Element Squarates, Squarate-Oxalates, and Cationic Materials, and the Determination of the Nine-Coordinate Ionic Radius of Cf(III)

The synthesis, structure, and solid-state UV–vis–NIR spectroscopy of four new f-element squarates, M 2 (C 4 O 4 ) 3 (H 2 O) 4 (M = Eu, Am, Cf) and Sm(C 4 O 4 )(C 4 O 3 OH)(H 2 O) 2 ·0.5H 2 O, four new cationic lanthanide squarate chlorides, [M 4 (C 4 O 4 ) 5 (H 2 O) 12 ]Cl 2 ·5H 2 O (M = Eu, Dy, Ho Er), and two new actinide squarate oxalates, M 2 (C 4 O 4 ) 2 (C 2 O 4 )(H 2 O) 4 (M = Am, Cf), are presented. All of the metal centers are trivalent. Single-crystal X-ray diffraction analysis reveals that M 2 (C 4 O 4 ) 3 (H 2 O) 4 and Sm(C 4 O 4 )(C 4 O 3 OH)(H 2 O) 2 ·0.5H 2 O have a two-dimensional sheet structure constructed from MO 7 (H 2 O) 2 monocapped square-antiprismatic (coordination number (CN) = 9) metal centers and SmO 6 (H 2 O) 2 square-antiprismatic (CN = 8) metal centers, respectively, whereas M 2 (C 4 O 4 ) 2 (C 2 O 4 )(H 2 O) 4 have a three-dimensional (3D) structure constructed from MO 7 (H 2 O) 2 monocapped square-antiprismatic (CN = 9) metal centers. Additionally, the cationic framework materials [M 4 (C 4 O 4 ) 5 (H 2 O) 12 ]Cl 2 ·5H 2 O have a 3D structure constructed from two crystallographically unique MO 5 (H 2 O) 3 square-antiprismatic (CN = 8) metal centers. In these structures, the squarate ligands bind to the metal centers with varying coordination modes and denticities. The results of this study provide another example of the nonparallel chemistry between the lanthanides and transplutonium elements. From the crystallographic data for the isotypic series M 2 (C 4 O 4 ) 3 (H 2 O) 4 (M = La–Nd, Sm, Eu) and the linear regression fit to a plot of the unit cell volume as a function of the cube of the ionic radius, the nine-coordinate ionic radius of Cf 3+ was determined to be 1.127 ± 0.003 Å. Lastly, computational analysis of the americium and californium complexes M 2 (C 4 O 4 ) 3 (H 2 O) 4 and M 2 (C 4 O 4 ) 2 (C 2 O 4 )(H 2 O) 4 reveals three important attributes: (i) the 5f orbitals are nonbonding in all cases, with the bonding differences occurring with the empty 6d orbitals; (ii) the Cf complexes exhibit more covalent character than their Am counterparts; and (iii) there is more covalent character in the squarate-oxalate complexes than in the squarate complexes.

Crystallography↗
DOE OSTI2021

Determining the Structure-Property Relationships of Quasi-Two-Dimensional Semiconductor Nanoplatelets.

We report a theoretical study of CdSe nanoplatelets aimed at identifying the main factors determining their photophysical properties. Using atomic configurations optimized with density functional theory calculations, we computed quasiparticle and exciton binding energies of nanoplatelets with two to seven monolayers. We employed many body perturbation theory at the GW level and solved the Bethe-Salpeter equation to obtain absorption spectra and excitonic properties. Our results, which agree well with recent experiments, were then used to design a model that allows us to disentangle the effects of quantum confinement, strain induced by passivating ligands, and dielectric environment on the electronic properties of nanoplatelets. We found that, for the model to accurately reproduce our first principle results, it is critical to account for surface stress and consider a finite potential barrier and energy-dependent effective masses when describing quantum confinement. Our findings call into question previous assumptions on the validity of an infinite barrier to describe carrier confinement in nanoplatelets, suggesting that it may be possible to optimize interfacial charge transfer and extraction by appropriately choosing passivating ligands. The model developed here is generalizable to core-shell platelets and enables the description of system sizes not yet directly treatable by first-principles calculations.

Greenwood, Arin R.↗
DOE OSTI2020

Nitroxide Radical Polymer–Solvent Interactions and Solubility Parameter Determination

Redox-active polymers such as macromolecular nitroxide radicals have been studied as electrode materials for organic batteries and electronics. Polymer–solvent interactions are essential to processing and device performance, but macromolecular nitroxide radical–solvent interactions are currently not well described. In this work, the Hildebrand and Hansen solubility parameters of poly(2,2,6,6-tetramethylpiperidinyloxy-4-yl methacrylate) (PTMA), oxidized PTMA (PTMA + ), and PTMA’s precursor (PTMPM) are determined using both experimental and group contribution methods for the first time. This work indicates that the hydrogen-bonding Hansen solubility parameter (δ h ) and the solubility sphere radii (R) provide the best prediction of the macromolecular radical’s interaction with solvents. From these solubility parameters, the group contribution values for the nitroxide and oxoammonium cation were then calculated. It is shown that this information allows for the prediction of polymer–solvent interactions for other nitroxide-based macromolecular radicals. Lastly, the discovered solubility parameters are used to predict PTMA electrode formulations for batteries that outperform controls.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Isotopic Constraints on the Nature of Primary Precipitates in Archean–Early Paleoproterozoic Iron Formations from Determinations of the Iron Phonon Density of States of Greenalite and 2L- and 6L-Ferrihydrite

Iron formations (IFs) are chemical sedimentary rocks that were widely deposited before the Great Oxidation Event (GOE) around 2.4- 2.2 Ga. It is generally thought that IFs precipitated as hydrated Fe 3+ oxides (HFOs) such as ferrihydrite following surface oxidation of Fe 2+ -rich, anoxic deep waters. This model often implicates biological oxidation and underpins reconstructions of marine nutrient concentrations. However, nanoscale petrography indicates that an Fe 2+ silicate, greenalite, is a common primary mineral in well-preserved IFs, motivating an alternative depositional model of anoxic ferrous silicate precipitation. It is unclear, however, if Fe 2+ -rich silicates can produce the Fe isotopic variations in IFs that are well explained by Fe 2+ oxidation. To address this question, we constrain the equilibrium Fe isotopic ( 56 Fe/ 54 Fe) fractionation of greenalite and ferrihydrite by determining the iron phonon densities of states for those minerals. Here, we use ab initio density functional theory (DFT + U) calculations and nuclear resonant inelastic X-ray scattering spectroscopy to show that ferrous greenalite should be isotopically lighter than ferrihydrite by similar to 1-1.2 parts per thousand at equilibrium, and fractionation should scale linearly with increasing Fe 3+ content in greenalite. By anchoring ferrihydrite-greenalite mineral pair fractionations to published experimental Fe isotopic fractionations between HFOs and aqueous Fe 2+ , we show that ferrous greenalite may produce all but the heaviest pre-GOE Fe isotopic compositions and mixed valence greenalites can produce the entire record. Our results suggest that heavy Fe isotope enrichments alone are not diagnostic of primary IF mineralogies, and ferrihydrite and partially oxidized or even purely ferrous greenalite are all viable primary IF mineralogies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗