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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Thermal Characterization of Acid Treated Anion Exchange Resins

Anion exchange is a chemical separation and purification technique in which a solid phase ion exchanging material (i.e., anion exchange resin beads) interchanges its anions with the desired anions from a solution phase. Typical anion exchange resins (e.g., Bio-Rad AG 1-X8 strongly basic anion exchange resin) consist of a polymer resin bead of cross-linked polystyrene with quaternary ammonium functional groups (Figure 1). Anion exchange occurs at the resin functional groups by exchange of the counter ion of the quaternary ammonium (typically chloride or nitrate) for the anionic species of interest. Other resin polymers have been developed—such as cross-linked vinylpyridine/divinylbenzene utilized in Reillex HPQ anion exchange resin—to improve the resins’ resistance against degradation by oxidizing agents, strong acids, and radiation. Anion exchange is performed for the separation of transuranic (TRU) elements throughout the Department of Energy complex. At the Los Alamos National Laboratory (LANL), production scale quantities of these resins are handled at the Chemistry and Metallurgy Research Facility, the Plutonium Facility, and the Transuranic Waste Facility. Spent anion exchange resin will eventually be disposed of as TRU waste. This has prompted concerns regarding its safe disposal under potential hazard scenarios, in particular a thermal excursion of a TRU waste drum. There is a concern that a potential thermal excursion of a TRU waste drum containing anion exchange resin previously contacted with nitric acid may result in energetic side reactions and pressure buildup due to resin degradation by nitric acid and heat. Therefore, the objective of the experiments described in this report was to gather qualitative and quantitative data to support decisions regarding the thermal stability and safe disposal strategy of nitric acid treated anion exchange resins utilized in TRU processing operations.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2004

Embedded Heaters for Joining or Separating Plastic Parts

A proposed thermal-bonding technique would make it possible to join or separate thermoplastic parts quickly and efficiently. The technique would eliminate the need for conventional welding or for such conventional fastening components as bolted flanges or interlocking hooks. The technique could be particularly useful in the sign industry (in which large quantities of thermoplastics are used) or could be used to join plastic pipes. A thin sheet of a suitable electrically conductive material would be formed to fit between two thermoplastic parts to be joined (see figure). The electrically conductive sheet and the two parts would be put together tightly, then an electrical current would be sent through the conductor to heat the thermoplastic locally. The magnitude of the current and the heating time would be chosen to generate just enough heat to cause the thermoplastic to adhere to both sides of the electrically conductive sheet. Optionally, the electrically conductive sheet could contain many small holes to provide purchase or to increase electrical resistance to facilitate the generation of heat. After thermal bonding, the electrically conductive sheet remains as an integral part of the structure. If necessary, the electrically conductive sheet can be reheated later to separate the joined thermoplastic parts.

Bryant, Melvin A., III↗
DOE OSTI2020

Quantum embedding for material chemistry based on domain separation and open subsystems

Our perspective considers two theories we recently proposed to perform quantum embedding calculations for chemical systems: domain-separated density functional theory (DSDFT) and locally coupled open subsystems (LCOS). The development includes both the fundamentals of each theory as well as potential applications, some technical aspects, and related challenges. DS-DFT is suited to study intramolecular effects, where one can apply a high level of theory (based on DFT or wave function theory) to a region of interest inside a molecule or solid, and lower level theory elsewhere, with smooth switching between the regions. LCOS, in contrast, is a fragment-based embedding which offers computational advantages to study intermolecular behavior such as electron hopping, spin-environment interaction, and charge transfer excitations. Yet, both theories can exchange roles when appropriate. In addition, these theories allow for control of computational scaling of their algorithms. We investigate paths to determine the charge-transfer operator used in LCOS, and suggest an auxiliary energy minimization that can provide a practical estimate to this operator. We also briefly discuss how to implement density fitting techniques in domain separation, and how domain separation can be used for pure wavefunction-based embedding.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Review of allanite: Properties, occurrence and mineral processing technologies

Allanite is commonly encountered as an accessory rare-earth silicate mineral in association with minerals such as garnet, biotite, and feldspar. It is distributed globally and occurs in igneous formations such as granites, pegmatites, and syenites, as well as in various metamorphic rocks such as schist, gneiss, and amphibolite. Moreover, it can be found in mineral veins formed through hydrothermal activity. While allanite has not yet been extensively utilized for the production of rare-earth elements, recent discoveries of high-grade rare-earth-rich allanite deposits in Wyoming, USA, highlight its economic potential. However, despite ongoing research on the mineralogy and processing of rare-earth minerals, allanite has not received widespread attention in mineral processing. To achieve economical extraction of rare-earth elements from allanite in the future, systematic studies on processing techniques (e.g., density separation, magnetic separation, flotation, leaching) are imperative to fully unlock the potential of allanite as a rare-earth element source. To pave the way for future investigation of allanite and address the unique processing challenges, this review article aims to comprehensively summarize previous studies, encompassing properties, occurrences, and processing technologies of allanite.

42 ENGINEERING↗
DOE OSTI2020

Radioarsenic: A promising theragnostic candidate for nuclear medicine

Molecular imaging is a non-invasive process that enable the visualization, characterization, and quantitation of biological processes at the molecular and cellular level. With the emergence of theragnostic agents to diagnose and treat disease for personalized medicine there is a growing need for matched pairs of isotopes. Matched pairs offer the unique opportunity to obtain patient specific information from SPECT or PET diagnostic studies to quantitate in vivo function or receptor density to inform and tailor therapeutic treatment. There are several isotopes of arsenic that have emissions suitable for either or both diagnostic imaging and radiotherapy. Their half-lives are long enough to pair them with peptides and antibodies which take longer to reach maximum uptake to facilitate improved patient pharmacokinetics and dosimetry then can be obtained with shorter lived radionuclides. Arsenic-72 even offers availability from a generator that can be shipped to remote sites and thus enhances availability. Arsenic has a long history as a diagnostic agent, but until recently has suffered from limited availability, lack of suitable chelators, and concerns about toxicity have inhibited its use in nuclear medicine. However, new production methods and novel chelators are coming online and the use of radioarsenic in the pico and nanomolar scale is well below the limits associated with toxicity. This manuscript will review the production routes, separation chemistry, radiolabeling techniques and in vitro/in vivo studies of three medically relevant isotopes of arsenic (arsenic-74, arsenic-72, and arsenic-77).

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2021

Current status of biogas upgrading for direct biomethane use: A review

Anaerobic digestion produces biogas, a mixture of CH 4 and CO 2 , where CH 4 is a low cost, environmentally friendly, and renewable energy source. The application of biogas production is increasing rapidly as a means of reducing the pollution impact of organic biomasses. However, biogas contains unwanted elements such as hydrogen sulfide, carbon monoxide, siloxanes, and carbon dioxide. To remove these elements, several biogas upgrading technologies like water scrubbing, amine scrubbing, pressure swing adsorption, and membrane separation have been developed and are being used at various commercial scales. Problems with these methods are high energy consumption, the use of expensive chemicals, and high operating cost. Therefore, a major effort is currently underway to improve the design of existing methods as well as developing innovative new upgrading technologies such as cryogenic separation and biological upgrading. Here, this review intends to provide a comprehensive overview of the limitations with the existing upgrading technologies along with recent advances in physical, chemical, and biological biogas upgrading technologies (e.g., pressure swing adsorption, membrane separation, biochar adsorption and CO 2 conversion by biological organisms) and further into possible future solutions, such as hybrid systems. Comparative studies of process complexities and associated economic concerns are also provided, and future perspectives that may facilitate research into sustainable biogas upgrading technologies are discussed, focusing in particular on cryogenic separation, novel biological techniques, biochar based upgrading and hybrid technologies incorporating two or more different methods seamlessly integrated.

09 BIOMASS FUELS↗
DOE OSTI2025

Modeling the differential rate for signal interactions in coincidence with noise fluctuations or large rate backgrounds

The characteristic energy of a relic dark matter interaction with a detector scales strongly with the putative dark matter mass. Consequently, experimental search sensitivity at the lightest masses will always come from interactions whose size is similar to noise fluctuations and low energy backgrounds in the detector. In this paper, we correctly calculate the net change in measured differential event rate due to low rate signal interactions that overlap in time with noise and backgrounds, accounting for both periods of time when the signal is coincident with noise/backgrounds and for the decreased amount of time in which only noise/backgrounds occur and we show that the introduction of random simulated signal events into the continuous raw data stream (a form of “salting”) provides a correct and practical implementation to estimate this net linear signal sensitivity. Unfortunately this does not apply to the situation with non negligible pileups as we show through explicit examples. Consequently, this exclusion technique should be complemented by less sensitive techniques that can separately exclude large rate, high pileup signal parameter space. An analysis threshold above the Gaussian-like noise component of the measured differential rate spectrum should also likely produce conservative limits. Though previous light mass dark matter searches did not correctly account for decreased background only live time effects in their signal sensitivity, conservative analysis choices likely protected their published limits from being nonconservative.

Li, Xinran↗
DOE OSTI2020

Mixed-strategy approach to band-edge analysis and modeling in semiconductors

In semiconductor physics, the Urbach rule describes an exponential dependence of the UV-Vis absorption coefficient on photon energy at the band edge. The rule is so ubiquitously applied that a single common mechanism, variability in the local potential, is generally considered to be the cause of exponential band edges. Variability in the local potential may be caused by alloy inhomogeneity, structural defects, impurities, thermal excitation, or any other mechanism that interrupts ideal crystallinity and creates disorder. A crucial point of the Urbach rule is its development for band edges which approach linearity when plotted on a logarithmic scale. The rule was not developed in the context of nonlinear band edges with complex fine structure. Even so, this model has been applied extensively to band edges with such features. Using differential analysis and deconvolution, we develop an analytical technique capable of separating the components responsible for the fine structure observed. This approach reduces challenging signal-artifact convolution problems to a simple linear combination. Furthermore, we develop a model that can be applied to the nonlinear band-edge signals extracted. In this work, we show that in the limiting case of linearity, our model is consistent with and produces the same results as the linear Urbach model. Our model is capable of bypassing “tailing” as an indirect measure of the spread in the local potential and gives a direct measure of this quantity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Cosmological Hydrodynamics at Exascale: A Trillion-Particle Leap in Capability

Resolving the most fundamental questions in cosmology requires simulations that match the scale, fidelity, and physical complexity demanded by next-generation sky surveys. To achieve the realism needed for this critical scientific partnership, detailed gas dynamics must be treated self-consistently with gravity for end-to-end modeling of structure formation. Exascale computing enables simulations that span survey-scale volumes while incorporating key astrophysical processes that shape complex cosmic structures. We present results from CRK-HACC, a cosmological hydrodynamics code built for extreme scalability. Using separation-of-scale techniques, GPU-resident tree solvers, in situ analysis pipelines, and multi-tiered I/O, CRK-HACCexecuted Frontier-E: a four trillion particle full-sky simulation, over an order of magnitude larger than previous efforts. The run achieved 513.1 PFLOPs peak performance, processing 46.6 billion particles per second and writing more than 100 PB of data in just over one week of runtime. Frontier-E marks a significant advance in predictive modeling for next-generation cosmological science.

Frontiere, Nicholas [Argonne National Laboratory (↗
DOE OSTI2022

67 Cu Production Capabilities: A Mini Review

Is the 67 Cu production worldwide feasible for expanding preclinical and clinical studies? How can we face the ingrowing demands of this emerging and promising theranostic radionuclide for personalized therapies? This review looks at the different production routes, including the accelerator- and reactor-based ones, providing a comprehensive overview of the actual 67 Cu supply, with brief insight into its use in non-clinical and clinical studies. In addition to the most often explored nuclear reactions, this work focuses on the 67 Cu separation and purification techniques, as well as the target material recovery procedures that are mandatory for the economic sustainability of the production cycle. The quality aspects, such as radiochemical, chemical, and radionuclidic purity, with particular attention to the coproduction of the counterpart 64 Cu, are also taken into account, with detailed comparisons among the different production routes. Future possibilities related to new infrastructures are included in this work, as well as new developments on the radiopharmaceuticals aspects.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
NASA NTRS1972

Analysis of heat transfer in a porous cooled wall with variable pressure and temperature along the coolant exit boundary

Fluid from a reservior at constant pressure and temperature is forced through a porous wall of uniform thickness. The boundary through which the fluid exits has specified variations in pressure and temperature along it in one direction so that the flow and heat transfer are two-dimensional. The local fluid and matrix temperatures are assumed to be equal and therefore a single energy equation governs the temperature distribution within the wall. The solution is obtained by transforming this energy equation into potential plane coordinates, which results in a separable equation. A technique yielding an integral equation is used to adapt the general solution so that it satisfies the variable-pressure boundary condition. Analytical expressions are given for the normal exit velocity and heat flux along the exit boundary. Illustrative examples are carried out which indicate to what extent the solution is locally one-dimensional.

Siegel, R.↗
NASA NTRS1977

Introductory remarks

Suggested fluid mechanics research to be conducted in the National Transonic Facility include: wind tunnel calibration; flat plate skin friction, flow visualization and measurement techniques; leading edge separation; high angle of attack separation; shock-boundary layer interaction; submarine shapes; low speed studies of cylinder normal to flow; and wall interference effects. These theoretical aerodynamic investigations will provide empirical inputs or validation data for computational aerodynamics, and increase the usefulness of existing wind tunnels.

Gessow, A.↗
NASA NTRS1977

The ratio of deuterium to hydrogen in interstellar space. III - The lines of sight to Zeta Puppis and Gamma Cassiopeiae

An extensive set of measurements of the ratio of deuterium to hydrogen in the interstellar medium has been undertaken. The general observing program is described along with the data reduction techniques used to separate the complex deuterium and hydrogen profiles, and the results of the measurements for two stars, Zeta Pup and Gamma Cas. For Gamma Cas, log N(D)/N(H) is found to be approximately -4.8, in agreement with previous measurements. For Zeta Pup, a complicated structure of absorbing clouds in the interstellar medium is inferred. The best value of log N(D)/N(H) is about -4.6 for each of two components. One component is probably more complex than can be demonstrated directly at the resolution employed, and log N(D)N(H) could be -4.0 or larger in this component.

Vidal-Madjar, A.↗
NASA NTRS1979

Forecasts of geomagnetic activities and HF radio propagation conditions made at Hiraiso/Japan

The Hiraiso Branch of RRL prediction techniques are summarized separately for the 27 day recurrent storm and the flare-associated storm. The storm predictions are compared with the actual geomagnetic activities in two ways. The first one is the comparison on a day to day basis. In the second comparison, the accuracy of the storm predictions during 1965-1976 are evaluated. In addition to the storm prediction, short-term predictions of HF radio propagation conditions are conducted at Hiraiso. The HF propagation predictions are briefly described as an example of the applications of the magnetic storm prediction.

Marubashi, K.↗
NASA NTRS1982

Voyager observations of solar wind proton temperature - 1-10 AU

Simultaneous measurements are made of the solar wind proton temperatures by the Voyager 1 and 2 spacecraft, far from earth, and the IMP 8 spacecraft in earth orbit. This technique permits a separation of radial and temporal variations of solar wind parameters. The average value of the proton temperature between 1 and 9 AU is observed to decrease as r (the heliocentric radius) to the -(0.7 + or - 0.2). This is slower than would be expected for adiabatic expansion. A detailed examination of the solar wind stream structure shows that considerable heating occurs at the interface between high and low speed streams.

Gazis, P. R.↗