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At least 1,549 records · Page 86
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Self-regulating surface chemistry for more robust highly durable solid oxide fuel cell cathodes

Solid oxide fuel cells (SOFCs) offer direct conversion of hydrogen or hydrocarbon fuels to electricity with high energy conversion efficiency (>50%). Impurities that block active reaction sites on the electrode surface can markedly degrade the oxygen exchange rate, and lead to a reduction in long term durability of such devices. In this work, we propose to develop electrodes that are tolerant to Si which is one of the most prevalent cathode impurities. This work draws on our recent method to fully recover oxygen exchange kinetics following Si induced aging of ceria containing cathodes. We take advantage of elements, which over time during SOFC operation, are released by exsolution to actively trap (i.e. getter) Si impurities in a self-regulating chemical fashion. The objective is to evaluate impurity scavenging by added reactive elements that are intentionally exsolved from the SOFC cathode electrode during operation. In this study, we chose to focus our effort on one cathode material: Pr doped ceria (PCO). This material has the advantage of not containing strontium, an element known to segregate to the surface of the well-known perovkite based cathodes materials, thereby degrading their performance. As for the Si getter, we choose to focus on lanthanum, which is added in PCO in solid solution.

03 NATURAL GAS↗
DOE OSTI2020

Best Practices for Shielding Analyses of Activated Metals and Spent Resins from Reactor Operation

This report investigated best practices for performing shielding evaluations of Type B waste packages, as defined in 10 CFR Part 71 regulations on packaging and transportation of radioactive material, or packages for which the contents are not defined before loading and may include a broad range of nuclides, geometries, and non-fuel materials. The following non-fuel waste streams were analyzed: Activated metals from decommissioned commercial power reactors, including Type 304 stainless steel, reactor vessel steel, and Inconel, Control blades from boiling water reactors, Neutron-activated corrosion products on surfaces of activated metals, and Spent resins from power plant operations. Measured elemental compositions, including major constituents and impurities, for steel and Inconel samples from commercial power reactors were used in activation calculations to determine radionuclide inventories in activated metals. For a simplified cask model, 60 Co contribution to the total external package dose rate at 30 days after shutdown varied from approximately 60% to 95%, depending on the activated metal, initial cobalt impurity concentration in the metal, and the thickness of the overpack gamma shield. Its maximum contribution to the total external package dose rate of approximately 100% was reached within the time interval of 2 to 5 years after shutdown and was maintained for up to 45 to 60 years after shutdown, depending on material, initial cobalt impurity concentration, and shield thickness. Thereafter, the 60 Co contribution to external package dose rate decreased with increasing decay time. Cobalt-60 is primarily produced by neutron reactions with the cobalt impurity in steel and Inconel. Other important radionuclides in activated metals contributing to package external dose rate are radionuclides with relatively short decay times, including 51 Cr, 59 Fe, 58 Co, and 54 Mn. These radionuclides may be represented as an equivalent 60 Co activity/source because 60 Co gamma ray emissions are bounding in terms of source strength and energy to other important radionuclides identified in the analyzed activated metals. Approaches for modeling the neutron-activated corrosion products that may be attached to activated reactor components were analyzed in this report. It was demonstrated that a surface source is more conservative than a uniform volumetric source for the treatment of neutron-activated corrosion products with respect to external package dose rates. An analysis of the maximum radionuclide loadings reported on spent resins identified the radionuclides 137 Cs, 60 Co, 134 Cs, 65 Zn, and 58 Co as the primary contributors to external package dose rate. For a resin cooled for 3.08 years, the external package dose rate was entirely produced by the reported 137 Cs and 60 Co inventory. The neutron sources from actinides found on spent resins or activated metals produced negligible dose rates and may be ignored in dose rate analyses. Effects of idealized waste material, source geometry, and spatial material/source distributions on external package dose rates were determined based on dose rate results for a simplified cask model under normal conditions of transport. Type 304 stainless steel, zirconium, and aluminum with adjusted mass densities based on a maximum content weight were analyzed for material modeling effects on external package dose rate. These materials produced identical external package dose rates within the statistical uncertainties of the dose rate estimates. Among four different source geometry configurations with homogeneous material of different mass densities, uniform volumetric source distribution, and the same source strength, the geometry configuration with lowest mass density (i.e., minimum self-shielding effect among the four cases) was most conservative. Spatial source distributions that better represent localized peak 60 Co activity values were more conservative than a uniform volumetric source distribution, assuming the same weight and total source strength per package. The increase in external dose rate caused by localized source peaks can be as much as the ratio between source peak activity density to average activity density, depending on the location of the activated metal with peak activity density. Therefore, the shielding analysis may be simplified if localized peak activities and the average activity per package can be measured/determined and documented at the time of cask loading. For simplicity, external package dose rates may be determined based on average source activity and a uniform volumetric source distribution. The dose rate results from that calculation model multiplied by the ratio of peak activity density to average activity density will produce maximum dose rate values for conservative estimates.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Elucidating Hydrogen Reaction-Induced Water Desorption from Oxide-Passivated Metal Surfaces for Plasma Applications

Elucidating the mechanisms responsible for sub-microsecond desorption of water and other impurities from electrode surfaces at high heating rates is crucial for understanding pulsed power behavior. Ionization of desorbed impurities in the vacuum regions causes power or current loss; devising methods to limit such desorption during the short time scale of pulsed power is needed to improve corresponding applications. Previous molecular modeling studies have strongly suggested that, under high vacuum conditions, the amount of water impurity desorbing from oxide surfaces on metal electrodes is at a sub-monolayer level at room temperature, which appears insufficient to explain observed pulsed power energy losses at high current densities. In this work, we apply Density Functional Theory (DFT) techniques to show that hydrogen trapped inside iron metal can diffuse into hematite (α-Fe 2 O 3 ) on the metal surface, ultimately reacting with the oxide to form Fe(II) and H 2 O. The latter desorbs at elevated temperature and may explain the anomalous amount of desorbed impurity inferred from pulsed-power experiments. We also apply a suite of characterization techniques to demonstrate that when iron metal is heated to 650 °C, the dominant surface oxide component becomes α-Fe 2 O 3 . The oxide facets exposed are found to be a mixture of (0001), (10-10), and others, in agreement with the DFT models used.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

International Interlaboratory Compilation of Trace Element Concentrations in the CUP-2 Uranium Ore Concentrate Standard

The accurate and precise analysis of impurities in uranium ore concentrates is an important aspect of nuclear forensics. Defensibility of analytical data requires the use of analytical reference materials as part of quality control. This report presents a compilation of the results of trace element concentration measurements of the CUP-2 Uranium Ore Concentration Standard from 11 different laboratories. Various dissolution methods, instrumental platforms, and analytical methods were employed. The resulting data set contains concentration of 66 impurities with up to 139 individual data points for each impurity. Consensus values have been assigned to each impurity following a statistical analysis of the data set.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Electropolishing-induced topographic defects in niobium: Insights and Implications for SRF

Electropolishing (EP) is the premier surface preparation method for high-Q, high-gradient superconducting RF cavities made of Nb. This leaves behind an apparently smooth surface, yet the achievable peak magnetic fields fall well below the superheating field of Nb, in most cases. In this work, the ultimate surface finish of EP was investigated by studying its effect on highly polished Nb samples. EP introduces high slope angle sloped-steps at grain boundaries. The magnetic field enhancement and superheating field suppression factors associated with such a geometry are calculated in the London theory. Despite the by-eye smoothness of electropolished Nb, such defects compromise the stability of the low-loss Meissner state, likely limiting the achievable peak accelerating fields in superconducting RF cavities. Finally, the impact of surface roughness on impurity diffusion is investigated which can link surface roughness to the effectiveness of heat treatments like low-temperature baking or nitrogen infusion in the vortex nucleation or hydride hypotheses. Surface roughness tends to decrease the effective dose of impurities as a result of the expansion of impurities into regions with greater internal angle. The effective dose of impurities can be protected by minimizing slope angles and step heights, ensuring uniformity.

Lechner, Eric [Thomas Jefferson National Accelerat↗
DOE OSTI2022

Chloride Salt Purification by Reaction With Thionyl Chloride Vapors to Remove Oxygen, Oxygenated Compounds, and Hydroxides

Molten chloride salts (including MgCl 2 , KCl, NaCl, and ZnCl 2 ) are being considered for heat transfer media for renewable (solar) and nuclear power generators, as fuel carrier for nuclear reactors, and as thermal energy storage media. Impurities such as oxygen, hydroxides, moisture, and sulfur are known to negatively influence the corrosion of materials in contact with the salt (e.g., structural metals). Commercially available chloride salts come with a range of impurities. Before using the chloride salts at high temperature, it is desirable to remove the impurities to increase the performance of the salt and reduce corrosion. In this study, we tested the use of thionyl chloride vaporized into a stream of argon to react with oxygenated impurities in a mixture of MgCl 2 -KCl-NaCl, removing them as HCl and SO 2 . The reagent was bubbled through the salt when both above and below the melting point. The reaction was followed using thermocouple data from the salt and by Fourier transform infrared (FTIR) spectroscopy on the exhaust of the reactor. The reaction kinetics were followed by comparing the peaks from SO 2 product to SOCl 2 reagent in the FTIR spectra. The purity of the salt was assessed at the end of the purification process by x-ray diffraction and inductively coupled plasma analysis. Although the process was effective in removing the oxygen content of the mixture, ternary compounds were formed in the process, including KNiCl 3 and KMgCl 3 . The nickel in KNiCl 3 came from the reaction between the salt and the nickel vessel. Thus, these experiments suggest that improvements to the process must be made before using SOCl 2 vapors for the purification of chloride salts.

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

Nuclear Reactions in the Crusts of Accreting Neutron Stars

X-ray observations of transiently accreting neutron stars during quiescence provide information about the structure of neutron star crusts and the properties of dense matter. Interpretation of the observational data requires an understanding of the nuclear reactions that heat and cool the crust during accretion and define its nonequilibrium composition. We identify here in detail the typical nuclear reaction sequences down to a depth in the inner crust where the mass density is $\rho =2\times {10}^{12}\,{\rm{g}}\,{\mathrm{cm}}^{-3}$ using a full nuclear reaction network for a range of initial compositions. The reaction sequences differ substantially from previous work. We find a robust reduction of crust impurity at the transition to the inner crust regardless of initial composition, though shell effects can delay the formation of a pure crust somewhat to densities beyond $\rho =2\times {10}^{12}\,{\rm{g}}\,{\mathrm{cm}}^{-3}$. This naturally explains the small inner crust impurity inferred from observations of a broad range of systems. The exception are initial compositions with A ≥ 102 nuclei, where the inner crust remains impure with an impurity parameter of Q imp ≈ 20 owing to the N = 82 shell closure. In agreement with previous work, we find that nuclear heating is relatively robust and independent of initial composition, while cooling via nuclear Urca cycles in the outer crust depends strongly on initial composition. As a result, this work forms a basis for future studies of the sensitivity of crust models to nuclear physics and provides profiles of composition for realistic crust models.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Technical Note: Characterization of Corrosion Films Formed on Austenitic Stainless Steel in Supercritical CO 2 Containing H 2 O and O 2

Future technologies require structural alloys resistant to corrosion in supercritical CO 2 (sCO 2 ) fluids containing impurities such as H 2 O and O 2 . Traditional pipeline steels are potentially unsuitable for these environments and more corrosion resistant alloys such as stainless steels might be required. Little is known about the corrosion products formed on, and hence the processes which control corrosion of, stainless steels in impure sCO 2 environments. In this study, austenitic stainless steel 347H (UNS S34709) was exposed to sCO 2 containing H 2 O and O 2 at 8 MPa and 50°C or 250°C, and separately to the aqueous phase in equilibrium with the sCO 2 at 50°C, to simulate conditions expected in sCO 2 -based power cycles and carbon capture and storage pipelines. Only thin (< 20 nm) surface films formed after 500 h resulting in small mass changes and corrosion rates < 10 –4 mm/y, suggesting the material resists significant degradation in these environments. X-ray photoelectron spectroscopy and transmission electron microscopy were used to characterize the corrosion films in detail. Here, the exposure to the aqueous phase resulted in a thin (< 5 nm) Cr-oxide and/or -hydroxide passive film, while exposure to sCO 2 phases resulted in a multilayer Fe-rich oxide structure characteristic of a gas-phase oxidation process.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Design of a Continuous Electrochemical Purification Reactor for Corrosion Mitigation in Molten Chloride Salt Systems

The utility of molten chloride salts in concentrating solar power (CSP) is dependent on the ability to maintain low corrosive impurities. Without proper purification, the corrosion rates of containment alloys exceed the industry standard of corrosion—under 20 μm/year. An extensive body of literature focuses on the initial purification stage of molten chloride salts. However, occurrences such as maintenance, leaks, and so forth expose the salt to the atmosphere and reintroduce impurities. Therefore, it is critical to develop a purification strategy that can control impurity levels during CSP plant operation. Here we present the design and fabrication of a purification vessel to continuously remove impurities out of flowing molten salt.

Witteman, Liam↗
NASA NTRS1977

Passive particle dosimetry

Present methods of dosimetry are reviewed with emphasis on the processes using silver chloride crystals for ionizing particle dosimetry. Differences between the ability of various crystals to record ionizing particle paths are directly related to impurities in the range of a few ppm (parts per million). To understand the roles of these impurities in the process, a method for consistent production of high purity silver chloride, and silver bromide was developed which yields silver halides with detectable impurity content less than 1 ppm. This high purity silver chloride was used in growing crystals with controlled doping. Crystals were grown by both the Czochalski method and the Bridgman method, and the Bridgman grown crystals were used for the experiments discussed. The distribution coefficients of ten divalent cations were determined for the Bridgman crystals. The best dosimeters were made with silver chloride crystals containing 5 to 10 ppm of lead; other impurities tested did not produce proper dosimeters.

Childs, C. B.↗
NASA NTRS1976

Silicon solar cells from transition metal doped Czochralski and web crystals

The influence of metallic impurities on solar cell characteristics has been examined to establish the cost sensitive purity versus performance trade-offs. Solar cells were fabricated on 2 to 4 ohm-cm p-type substrates obtained by Czochralski and dendritic web growth processes. Controlled amounts of metallic impurities were introduced into the melt during growth and included Fe, Cr, Mn, Ni, Cu, Ti, V, Zr, Mg, Zn, and Al. Impurity concentrations in the crystals were determined using emission and mass spectrographic techniques and in some cases by neutron activation analysis. The solar cells were characterized by means of a computer program to curve-fit measured voltage-current data. The principal effect of the added impurities is a degradation of lifetime and diffusion length.

Davis, J. R.↗
NASA NTRS1978

Lifetime and diffusion length measurements on silicon material and solar cells

Experimental methods were evaluated for the determination of lifetime and diffusion length in silicon intentionally doped with potentially lifetime-degrading impurities found in metallurgical grade silicon, impurities which may be residual in low-cost silicon intended for use in terrestrial flat-plate arrays. Lifetime measurements were made using a steady-state photoconductivity method. Diffusion length determinations were made using short-circuit current measurements under penetrating illumination. Mutual consistency among all experimental methods was verified, but steady-state photoconductivity was found preferable to photoconductivity decay at short lifetimes and in the presence of traps. The effects of a number of impurities on lifetime in bulk material, and on diffusion length in cells fabricated from this material, were determined. Results are compared with those obtained using different techniques. General agreement was found in terms of the hierarchy of impurities which degrade the lifetime.

Othmer, S.↗
NASA NTRS1979

Material science and solid state physics studies with positive muon spin precession

The hyperfine field on the muon, B sub hf, at interstitial sites in dilute Fe(Al) alloys was measured for four different concentrations of Al and as a function of temperature by the muon spin rotation method. The magnitude of B sub hf, which is negative, decreases at rates ranging from 0.09 + or - 0.03% per at.% Al at 200 K to an asymptotic limit of 0.35 + or - far above 440 K. This behavior shows that sites near the Al impurity are weakly repulsive to the muon, with an interaction potential of 13 + or - 3 meV. In order to fit the temperature dependence of the hyperfine field, it is necessary to hypothesize the existence of a small concentration of unidentified defects, possibly dislocations, which are attractive to the muon. Although the Al impurity acts as a non-magnetic hole in the Fe lattice, the observed decrease in B sub hf is only 35% of the decrease in the bulk magnetization. It is concluded that B sub hf is determined mainly by the enhanced screening of conduction electrons in Fe and Fe(Al). Since the influence of the Al impurity on the neighboring Fe monents is very small, most of the change in B sub hf is therefore attributed to the increase in conduction electron polarization of the Al impurity.

Stronach, C. E.↗
NASA NTRS1979

Diffusion and phase change characterization by mass spectrometry

The high temperature diffusion of trace elements in metals and alloys was investigated. Measurements were made by high sensitivity mass spectrometry in which individual atoms were detected, and quantitative data was obtained for zircaloy-2, 304 stainless steel, and tantalum. Additionally, a mass spectrometer was also an analytical tool for determining an allotropic phase change for stainless steel at 955 C, and a phase transition region between 772 C and 1072 C existing for zircaloy-2. Diffusion rates were measured in thin (0.001" (0.0025 cm) and 0.0005" (0.0013 cm)) ribbons which were designed as high temperature thermal ion sources, with the alkali metals as naturally occurring impurities. In the temperature and pressure regime where diffusion measurements were made, the solute atoms evaporated from the ribbon filaments when the impurities diffused to the surface, with a fraction of these impurity atoms ionized according to the Langmuir-Saha relation. The techniques developed can be applied to many other alloys important to space vehicles and supersonic transports; and, with appropriate modifications, to the diffusion of impurities in composites.

Koslin, M. E.↗
NASA NTRS1980

Performance of silicon solar cells fabricated from multiple Czochralski ingots grown by using a single crucible

Results on the performance of solar cells fabricated on wafers from multiple silicon ingots of large diameter, grown by using a single crucible and a sequential melt replenishment Czochralski (CZO) technique are presented. Samples were analyzed for resistivity, dislocation density and impurity content. Solar cells were fabricated from the seed, center and tang end of each ingot to evaluate the growth reproducibility and material quality. The cell efficiency within a given wafer varies by no more than plus or minus 5% of the average value. A small but consistent decrease in the cell efficiency is observed from the first to the fourth ingot grown from a single crucible. This decrease may be related to an increase in impurity content or dislocation density or a combination of both. The efficiency of the cells fabricated from the tang end of the fourth ingot is about 10% lower than that of the control cell. An impurity effects model is employed to correlate this decrease in efficiency with the impurity build-up in the residual melt.

Kachare, A. H.↗
NASA NTRS1990

Effects of grain size and grain boundary on critical current density of high T(sub c) superconducting oxides

By means of adding impurity elements in high T sub c oxides, the effects were studied of grain size and grain boundary on the critical current density of the following systems: YBa2Cu3O(7-y) and Bi-Pr-Sr-Ca-Cu-O. In order to only change the microstructure instead of the superconductivity of the grains in the samples, the impurity elements were added into the systems in terms of the methods like this: (1) substituting Y with the lanthanide except Pr, Ce, and Tb in YBa2Cu3O(7-y) system to finning down grains in the samples, therefore, the effect can be investigated of the grain size on the critical current density of 1:2:3 compounds; (2) mixing the high T sub c oxides with the metal elements, such as Ag, according to the composition of (high T sub c oxide)1-xAgx to metallize the grain boundaries in the samples, studying the effect of the electric conductivity of the grain boundaries on the critical current density; (3) adding SiO2, PbO2, and SnO2 into the high T sub c oxide to form impurity phases in the grain boundaries, trying to find out the effects of the impurity phases or metalloid grain boundaries on the critical current density of the high T sub c superconductors. The experimental results indicate that in the case of of the presence of the metalloid grain boundaries finning down grains fails to enhance the j sub c, but restrains it strongly, the granular high T sub c superconductors with the small size grains coupled weakly is always the low j sub c system.

Zhao, Y.↗
NASA NTRS1995

Convective flow effects on protein crystal growth

During the fourth semi-annual period under this grant we have pursued the following activities: (1) crystal growth morphology and kinetics studies with tetragonal lysozyme. These clearly revealed the influence of higher molecular weight protein impurities on interface shape; (2) characterization of the purity and further purification of lysozyme solutions. These efforts have, for the first time, resulted in lysozyme free of higher molecular weight components; (3) continuation of the salt repartitioning studies with Seikagaku lysozyme, which has a lower protein impurity content that Sigma stock. These efforts confirmed our earlier findings of higher salt contents in smaller crystals. However, less salt is in corporated into the crystals grown from Seikagaku stock. This strongly suggests a dependence of salt repartitioning on the concentration of protein impurities in lysozyme. To test this hypothesis, repartitioning studies with the high purity lysozyme prepared in-house will be begun shortly; (4) numerical modelling of the interaction between bulk transport and interface kinetics. These simulations have produced interface shapes which are in good agreement with out experimental observations; and (5) light scattering studies on under- and supersaturated lysozyme solutions. A consistent interpretation of the static and dynamic data leaves little doubt that pre-nucleation clusters, claimed to exist even in undersaturated solutions, are not present. The article: 'Growth morphology response to nutrient and impurity nonuniformities' is attached.

Rosenberger, Franz↗
NASA NTRS2000

Protein Crystals Grow Purer in Space: Physics of Phenomena

This presentation will summarize the quantitative experimental and theoretical results obtained by B.R. Thomas, P.G. Vekilov, D.C. Carter, A.M. Holmes, W.K. Widierow and the Author, the team with expertise in physics, biochemistry, crystallography and engineering. Impurities inhomogeneously trapped by a growing crystal - e.g., producing sectorial structure and/or striations - may induce macroscopic internal stress in it if an impurity molecule has slightly (less than 10%) different shape or volume than the regular one(s) they replace. We tested for the first time plasticity and measured Young modulus E of the triclinic, not cross-linked lysozyme by triple point bending technique. Triclinic lysozyme crystals are purely elastic with E similar or equal to 1/5 (raised dot) 10 (exp 9) partial derivative yn/sq cm. The strength limit, sigma (sub c) similar or equal to 10 (exp -3)E similar or equal to Epsilon (sub c), where sigma (sub c) and epsilon (sub c) are critical stress and strain, respectively. Scaling E and sigma (sub c) with the lattice spacing suggests similar binding stiffness in inorganic and biomolecular crystals. The inhomogeneous internal stress may be resolved in these brittle crystals either by cracking or by creation of misoriented mosaic blocks during, not after growth. If each impurity molecule induces in the lattice elementary strain epsilon (sub 0) similar or equal to 3 (raised dot) 10 (exp -2) (this is maximal elementary strain that can arise at the supersaturation DELTA mu/kT similar or equal to 2 and macroscopic molecular concentration difference between subsequent macrolayers or growth sectors is partial derivativeC similar or equal to 5 (raised dot) 10 (exp -3), the internal strain epsilon similar or equal to epsilon (sub 0) partial derivative C similar or equal to 10 (exp -4). Mosaic misorientation resolving such strain is approximately 30 arcsec. Tenfold increase of impurity concentration may cause cracking. Estimates of stress in an isometric sectorial crystal show that lysozyme crystals can tolerate the stress till the size of 0.5mm. Dissolving mosaic lysozyme crystal shows that the mosaicity, indeed, is absent below that size.

Chernov, Alex A.↗