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At least 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Determination of Kinetic Properties of Ni(II) Ions in Molten LiF-NaF-KF via Voltammetry

Kinetic properties of Ni(II) in eutectic LiF-NaF-KF (FLiNaK) molten salt were determined at T = 748–823 K using cyclic voltammetry (CV), square wave voltammetry (SWV), and chronoamperometry (CA) measurements using a glassy C working electrode, Ni(II)/Ni reference electrode, and Ni counter electrode. Reduction of Ni(II) to Ni(s) was determined to be a single step, two-electron transfer process. Diffusivity values were calculated using the Berzins and Delahay equation and semi-integral electroanalysis from the CV measurements as well as using the Cottrell equation from the CA measurements. Diffusivity of Ni(II) in molten FLiNaK at T = 748–823 K was determined to be 3.27 × 10 –7 –3.04 × 10 –6 cm 2 s –1 with an activation energy of 62–104 kJ mol –1 . The estimated kinetic properties varied appreciably among methodologies possibly due to inherent assumptions in theory regarding reversibility and unit activity during Ni metal deposition on the working electrode.

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

Experimental determination of the solubility constant of kurnakovite, MgB3O3(OH)5·5H2O

In this study, I present experimental results on the equilibrium between boracite [Mg 3 B 7 O 13 C1(cr)] and kurnakovite [chemical formula, Mg 2 B 6 O 11 ·15H 2 O(cr); structural formula, MgB 3 O 3 (OH) 5 ·5H 2 O(cr)] at 22.5 ± 0.5 °C from a long-term experiment up to 1629 days, approaching equilibrium from the direction of supersaturation, Mg 3 B 7 O 13 C1(cr) + H + + 2B(OH)$^-_4$ + 18H 2 O(1) ⇌ 3MgB 3 O 3 (OH) 5 ·5H 2 O(cr) + C1 - . Based on solubility measurements, the 10-based logarithm of the equilibrium constant for the above reaction at 25 °C is determined to be 12.83 ± 0.08 (2σ). Based on the equilibrium constant for dissolution of boracite, Mg 3 B 7 O 13 C1(cr) + 15H 2 O(1) = 3Mg 2+ + 7B(OH)$^-_4$ + C1 - + 2H + at 25 °C measured previously (Xiong et al. 2018) and that for the reaction between boracite and kurnakovite determined here, the equilibrium constant for dissolution of kurnakovite, MgB 3 O 3 (OH) 5 ·5H 2 O(cr) = Mg 2+ + 3B(OH)$^-_4$ + H + + H 2 O(1) is derived as -14.11 ± 0.40 (2σ). Using the equilibrium constant for dissolution of kurnakovite obtained in this study and the experimental enthalpy of formation for kurnakovite from the literature, a set of thermodynamic properties for kurnakovite at 25 °C and 1 bar is recommended as follows: Δ H $^0_f$ = -4813.24 ± 4.92 kJ/mol, Δ G$^0_f$ = -4232.0 ± 2.3 kJ/mol, and S 0 = 414.3 ± 0.9 J/(mol·K). Among them, the Gibbs energy of formation is based on the equilibrium constant for kurnakovite determined in this study; the enthalpy of formation is from the literature (Li et al. 1997), and the standard entropy is calculated internally with the Gibbs-Helmholtz equation in this work. The thermodynamic properties of kurnakovite estimated using the group contribution method for borate minerals based on the sums of contributions from the cations, borate polyanions, and structural water to the thermodynamic properties from the literature (Li et al. 2000) are consistent, within their uncertainties, with the values listed above. Since kurnakovite usually forms in salt lakes rich in sulfate, studying the interactions of borate with sulfate is important to modeling kurnakovite in salt lakes. Finally, for this purpose, I have re-calibrated our previous model (Xiong et al. 2013) describing the interactions of borate with sulfate based on the new solubility data for borax in Na 2 SO 4 solutions presented here.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Risk Informed, Performance-Based, Technology-Inclusive Regulatory Infrastructure: Technology-Inclusive Determination of Mechanistic Source Terms for Offsite Dose-Related Assessments for Advanced Nuclear Reactor Facilities

This report summarizes a risk informed, performance-based and technology-inclusive approach to determine source terms for dose related assessments at advanced nuclear facilities. This approach uses a graded process which allows both the non-mechanistic source terms calculation methods, which adopt conservative approaches and assumptions based on known physical and chemical principles, and more importantly the mechanistic source term calculation methods, which consider design-specific scenarios and use best estimate models with uncertainty quantification for a range of licensing basis events (LBEs), to be used for the design and licensing of advanced nuclear technologies. The source terms developed with this graded approach, and radionuclide inventories elsewhere in the facility that are determined during source term analysis, can be used to address licensing issues to support the application processes of 10 CFR Part 50 for a construction permit and operating license or 10 CFR Part 52 for a Combined Operating License (COL), Standard Design Certification, Early Site Permit, Standard Design Approval or Manufacturing License. They can also be used for other purposes including equipment environmental qualification, control room habitability analyses, and assessments of severe accident risks in environmental impact statements. There are many advanced reactor concepts being developed including high temperature gas-cooled reactor (HGTR), sodium-cooled fast reactor (SFR), lead-cooled fast reactor (LFR), molten salt reactor (MSR), micro-reactor, etc. The graded approach presented in this report for source terms determination is, to the extent possible, generic to any of these reactor designs and to future reactor designs. This report provides information on the review of the regulatory foundation for use of conservative bounding source terms as well as event-specific mechanistic source terms for advanced nuclear reactor designs.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2023

Dataset Repository for Investigating Suicide Risk Using Social and Environmental Determinants of Health

Suicide is frequently modeled as a function of genetics and environment, where the latter refers to factors other than direct biological consequences, such as air quality, financial level, social connectivity, transportation and food access, and homelessness status. According to the World Health Organization, clean air, a stable climate, adequate water, sanitation and hygiene, safe chemical use, radiation protection, healthy and safe workplaces, sound agricultural practices, health-supportive cities and built environments, and a preserved natural environment are all prerequisites for good health. Understanding the relationships between these determinants and mental health outcomes requires standardized data that can be included in healthcare programs and health outcome models. There is a wealth of publicly available data on social and environmental factors provided by various US organizations that can benefit the design of health care systems and public health interventions, as well as improve our comprehension of factors that impact health. Such information would not only help improve the understanding of individual and community risk but also identify new risk factors that have not previously been therapeutically targeted, especially in terms of their impact on mental health. However, curating and standardizing such datasets is challenging because they are often recorded at numerous geographical and temporal resolutions and with varying spatial and temporal granularities. To address this challenge, we launched an endeavor in conjunction with the Veterans Health Administration to collect publicly available socioeconomic and environmental determinants of health statistics in the US. In this manuscript, we describe a social and environmental determinants of health (SEDH) datasets repository, data curation documentation, and a pipeline framework for data generation; This effort started in 2020, when we began constructing a scalable pipeline to automate the download, extraction, preparation, analysis, and production of datasets. These datasets have been made available to the VHA and may be shared upon agreement with collaborating organizations.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

MCNP Simulation of the SFRC and Minimum Detection Threshold Determination (Rev. 1)

In this report the Minimum Detection Threshold (MDT) for the Spent Fuel Rod Counter (SFRC) was determined using Monte Carlo N-Particle transport computer code (MCNP). A model of the SFRC was simulated in addition to a fuel transport pipe and spent Magnox fuel at descending positions down the pipe. The neutron MDT for Magnox fuel free-falling along a discharge pipe was calculated to be equal to 4080 n/s. The gamma MDT for the same free falling fuel as measured by the SFRC’s ionization chamber was determined to be 455 γ/s. These values were determined to be a conservative value to use when the instrument is deployed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Methodology for Determination of Cellulosic Glucans and Hemicellulose Content in a Fuel Ethanol Production Facility (CRADA Final Report)

Develop a single methodology for determination of the total cellulosic glucan, including both cellulose and beta-glucans, along with hemicellulose content in corn kernel fiber which could be utilized by the dry grind corn ethanol production industry to determine the cellulosic converted fraction of the corn kernel fiber. The work will build upon a methodology already described in literature but will specifically focus on a more complete determination of the structural polysaccharides in corn kernel fiber to make it more applicable to the corn ethanol industry.

09 BIOMASS FUELS↗
DOE OSTI2021

Using Particle Image Velocimetry to Determine Turbulence Model Parameters

The primary parameter of a standard k-ϵ model, C μ , was calculated from stereoscopic particle image velocimetry (PIV) data for a supersonic jet exhausting into a transonic crossflow. This required the determination of turbulent kinetic energy, turbulent eddy viscosity, and turbulent energy dissipation rate. Image interrogation was optimized, with different procedures used for mean strain rates and Reynolds stresses, to produce useful turbulent eddy viscosity fields. The eddy viscosity was calculated by a least-squares fit to all components of the three-dimensional strain-rate tensor that were available from the PIV data. This eliminated artifacts and noise observed when using a single strain component. Local dissipation rates were determined via Kolmogorov’s similarity hypotheses and the second-order structure function. The eddy viscosity and dissipation rates were then combined to determine C μ . Considerable spatial variation was observed in C μ , with the highest values found in regions where turbulent kinetic energy was relatively low but where turbulent mixing was important, e.g., along the high-strain jet edges and in the wake region. This suggests that use of a constant C μ in modeling may lead to poor Reynolds stress predictions at mixing interfaces. A data-driven modeling approach that can predict this spatial variation of C μ based on known state variables may lead to improved simulation results without the need for calibration.

42 ENGINEERING↗
DOE OSTI2022

Cryo-electron tomography related radiation-damage parameters for individual-molecule 3D structure determination

To understand the dynamic structure–function relationship of soft- and biomolecules, the determination of the three-dimensional (3D) structure of each individual molecule (nonaveraged structure) in its native state is sought-after. Cryo-electron tomography (cryo-ET) is a unique tool for imaging an individual object from a series of tilted views. However, due to radiation damage from the incident electron beam, the tolerable electron dose limits image contrast and the signal-to-noise ratio (SNR) of the data, preventing the 3D structure determination of individual molecules, especially at high-resolution. Although recently developed technologies and techniques, such as the direct electron detector, phase plate, and computational algorithms, can partially improve image contrast/SNR at the same electron dose, the high-resolution structure, such as tertiary structure of individual molecules, has not yet been resolved. Here, we review the cryo-electron microscopy (cryo-EM) and cryo-ET experimental parameters to discuss how these parameters affect the extent of radiation damage. This discussion can guide us in optimizing the experimental strategy to increase the imaging dose or improve image SNR without increasing the radiation damage. With a higher dose, a higher image contrast/SNR can be achieved, which is crucial for individual-molecule 3D structure. With 3D structures determined from an ensemble of individual molecules in different conformations, the molecular mechanism through their biochemical reactions, such as self-folding or synthesis, can be elucidated in a straightforward manner.

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

Geographic patterns and determinants of antibiotic resistomes in coastal sediments across complex ecological gradients

Coastal areas are highly influenced by terrestrial runoffs and anthropogenic disturbances, commonly leading to ecological gradients from bay, nearshore, to offshore areas. Although the occurrence and distribution of sediment antibiotic resistome are explored in various coastal environments, little information is available regarding geographic patterns and determinants of coastal sediment antibiotic resistomes across ecological gradients at the regional scale. Here, using high-throughput quantitative PCR, we investigated the geographic patterns of 285 antibiotic resistance genes (ARGs) in coastal sediments across a ~ 200 km scale in the East China Sea. Sediment bacterial communities and physicochemical properties were characterized to identify the determinants of sediments antibiotic resistome. Higher richness and abundance of ARGs were detected in the bay samples compared with those in nearshore and offshore samples, and significant negative correlations between the richness and/or abundance of ARGs and the distance to coastline (DTC) were identified, whereas different types of ARGs showed inconsistency in their relationships with DTC. The composition of antibiotic resistome showed significant correlations with nutrition-related variables (including NH 4 + -N, NO 3 − -N, and total phosphorus) and metals/metalloid (including As, Cu, Ni, and Zn), suggesting that terrestrial disturbances largely shape the antibiotic resistome. The Bipartite network showed strong associations between ARGs and mobile genetic elements (MGEs), and Partial Least Squares Path Modeling further revealed that terrestrial disturbance strength (as indicated by DTC) directly affected abiotic environmental conditions and bacterial community composition, and indirectly affected antibiotic resistome via MGEs. These findings provide insights into regional variability of sediment antibiotic resistome and its shaping path across complex ecological gradients, highlighting terrestrial disturbances as determinative forces in shaping coastal sediment antibiotic resistomes.

Xiong, Shangling↗
DOE OSTI2023

Single-Well Push–Pull Tracer Test Analyses to Determine Aquifer Reactive Transport Parameters at a Former Uranium Mill Site (Grand Junction, Colorado)

At a former uranium mill site where tailings have been removed, prior work has determined several potential ongoing secondary uranium sources. These include locations with uranium sorbed to organic carbon, uranium in the unsaturated zone, and uranium associated with the presence of gypsum. To better understand uranium mobility controls at the site, four single-well push–pull tests (with a drift phase) were completed with the goal of deriving aquifer flow and contaminant transport parameters for inclusion in a future sitewide reactive transport model. This goes beyond the traditional use of a constant sorption distribution coefficient (K d ) and allows for the evaluation of alternative remedial injection fluids, which can produce variable K d values. Dispersion was first removed from the resulting data to determine possible reactions before conducting reactive transport simulations. These initial analyses indicated the potential need to include cation exchange, uranium sorption, and gypsum dissolution. A reactive transport model using multiple layers to account for partially penetrating wells was completed using the PHT-USG reactive transport modeling code and calibrated using PEST. The model results quantify the hydraulic conductivity and dispersion parameters using the injected tracer concentrations. Uranium sorption, cation exchange, and gypsum dissolution parameters were quantified by comparing the simulated versus observed geochemistry. All simulations required some cation exchange and calcite equilibrium, and one simulation required gypsum dissolution to improve the model fit for calcium and sulfate. Uranium sorption parameters were not strongly influenced by the other parameter values but were highly influenced by uranium concentrations during the drift phase, with possible kinetic rate limitations. Thus, a future recommendation for such push–pull tests is to collect more geochemical data during the drift phase. The final uranium sorption parameters were within the range of values determined from prior column testing. The flow and transport parameters derived from these single-well push–pull tests will provide initial parameters for any future sitewide reactive transport model.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Magnetic Sorbent for the Removal of Selenium(IV) from Simulated Industrial Wastewaters: Determination of Column Kinetic Parameters

A novel meso- and microporous tire-derived-carbon support with magnetic iron oxide nanoparticle adsorbents that selectively adsorbs Se(IV) ions from simulated contaminated water has been developed. In this work, the physicochemical characteristics of the composite adsorbent are characterized with respect to porosity and surface area, chemical composition, and microstructure morphology. The kinetics of this composite adsorbent in a fixed-bed setting has been determined. Several column runs were conducted and analyzed by inductively coupled plasma-optical emission spectroscopy (ICP-OES) to determine the concentration gradient vs time. These results were then fit to a pseudo-second order rate law to obtain equilibrium values. Combining calculated equilibrium values with effluent concentration data, enabled the application of the Adams–Bohart model to determine reaction constants and column coefficients. Column parameters obtained from different flow rates and fittings of the Adams–Bohart model were remarkably consistent. These findings enable the application of this sorbent to fixed-bed column systems and opens up further research into mixed pollutants tests with real wastewater and scaling of selenium pollutant removal.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

The Binary INformation from Open Clusters Using SEDs (BINOCS) Project: Reliable Photometric Mass Determinations of Binary Star Systems in Clusters

We introduce a new binary detection technique, Binary INformation from Open Clusters using SEDs (binocs), which we show is able to determine reliable stellar multiplicity and masses over a much larger mass range than current approaches. This new technique determines accurate component masses of binary and single systems of the open clusters’ main sequence by comparing observed magnitudes from multiple photometric filters to synthetic star spectral energy distributions (SEDs), allowing us to systematically probe the binary population for low-mass stars in clusters for eight well-studied open clusters. We provide new deep, infrared photometric catalogs (1.2–8.0 μm) for the key open clusters NGC 1960 (M36), NGC 2099 (M37), NGC 2420, and NGC 2682 (M67), using observations from NOAO/NEWFIRM and Spitzer/IRAC. Using these deep multiwavelength catalogs, the binocs method is applied to these clusters to determine accurate component masses for unresolved cluster binaries. We explore binary fractions as a function of cluster age, Galactic location, and metallicity.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

New Determinations of the UV Luminosity Functions from z ~ 9 to 2 Show a Remarkable Consistency with Halo Growth and a Constant Star Formation Efficiency

Here we provide the most comprehensive determinations of the rest-frame UV luminosity function (LF) available to date with the Hubble Space Telescope (HST) at z ~ 2–9. Essentially all of the noncluster extragalactic legacy fields are utilized, including the Hubble Ultra Deep Field, the Hubble Frontier Fields parallel fields, and all five CANDELS fields, for a total survey area of 1136 arcmin{sup 2}. Our determinations include galaxies at z ~ 2–3 leveraging the deep HDUV, UVUDF, and ERS WFC3/UVIS observations available over an ~150 arcmin{sup 2} area in the GOODS-North and GOODS-South regions. All together, our collective samples include >24,000 sources, >2.3× larger than previous selections with HST. We identify 5766, 6332, 7240, 3449, 1066, 601, 246, and 33 sources at z ~ 2, 3, 4, 5, 6, 7, 8, and 9, respectively. Combining our results with an earlier z ~ 10 LF determination by Oesch et al., we quantify the evolution of the UV LF. Our results indicate that there is (1) a smooth flattening of the faint-end slope α from α ~ -2.4 at z ~ 10 to α ~ -1.5 at z ~ 2, (2) minimal evolution in the characteristic luminosity M* at z ≥ 2.5, and (3) a monotonic increase in the normalization log{sub 10}ϕ* from z ~ 10 to 2, which can be well described by a simple second-order polynomial, consistent with an “accelerated” evolution scenario. We find that each of these trends (from z ~ 10 to 2.5 at least) can be readily explained on the basis of the evolution of the halo mass function and a simple constant star formation efficiency model.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Can the Distance–Redshift Relation be Determined from Correlations between Luminosities?

We explore whether an independent determination of the distance–redshift relation, and hence cosmological model parameters, can be obtained from the apparent correlations between two different wave-band luminosities or fluxes, as has been claimed in recent works using the X-ray and ultraviolet luminosities and fluxes of quasars. We show that such an independent determination is possible only if the correlation between luminosities is obtained independently of the cosmological model and measured fluxes and redshifts, for example, based on sound theoretical models or unrelated observations. In particular, we show that if the correlation is determined empirically for two luminosities obtained from fluxes and redshifts, then the method suffers from circularity. In the case where the observed correlation between fluxes in very narrow redshift bins is used as a proxy for the luminosity correlation, we show that one is dealing with a pure tautology with no information on distances and cosmological model. We argue that the problem arises because of the incomplete treatment of the correlation, and we use numerical methods with a joint X-ray and ultraviolet quasar data set to demonstrate this shortcoming.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1960

DETERMINATION OF EMISSIVITY OF MATERIALS.

During the third quarter of the contractual year of Contract NASW-104 for the determination of emissivity of materials, the emittance of nine specimens was measured at temperatures ranging up to 2200F and at pressures averaging 10(exp -8) mm Hg. The materials tested included columbium, columbium with an oxidized surface, molybdenum, graphite varnish on Type 310 stainless steel, stainless steel with an oxidized surface, and platinum black. In the spectral emittance rig, spectral as well as total emittance was measured on three specimens and total emittance only was measured on a fourth. In the total emittance rig, total emittance data was obtained on five specimens. Two of the specimens were endured. Investigations were made concerning the operational characteristics of both rigs in order to eliminate possible sources of error in the data. On the spectral emittance rig, tests were conducted to determine the exact magnitude of any error introduced in the spectral emittance values by beam intermixing resulting from imperfections in the optical system. On the total emittance rig, work was concentrated on the determination of the relative accuracy of the chromel-alumel and platinum-platinum 10% rhodium thermocouples used to measure the temperature of the specimen.

Emission↗
NASA NTRS1967

Simple colorimetric method determines uranium in tissue

Simple colorimetric micromethod determines concentrations of uranium in tissue. The method involves dry ashing organic extraction, and colorimetric determination of uranyl ferrocyanide. This uranium determination technique could be used in agricultural research, tracer studies, testing of food products, or medical research.

Doran, D.↗
NASA NTRS1969

Determination of the absolute contours of optical flats

Emersons procedure is used to determine true absolute contours of optical flats. Absolute contours of standard flats are determined and a comparison is then made between standard and unknown flats. Contour differences are determined by deviation of Fizeau fringe.

Primak, W.↗
NASA NTRS1971

A practical method of determining water current velocities and diffusion coefficients in coastal waters by remote sensing techniques

A simplified procedure is presented for determining water current velocities and diffusion coefficients. Dye drops which form dye patches in the receiving water are made from an aircraft. The changes in position and size of the patches are recorded from two flights over the area. The simplified data processing procedure requires only that the ground coordinates about the dye patches be determined at the time of each flight. With an automatic recording coordinatograph for measuring coordinates and a computer for processing the data, this technique provides a practical method of determining circulation patterns and mixing characteristics of large aquatic systems. This information is useful in assessing the environmental impact of waste water discharges and for industrial plant siting.

James, W. P.↗