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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 sources NASA NTRS DOE OSTI

DOE OSTI2021

Ultra-High-Performance Grout for Encapsulation of HEPA Filters

Ultra-high-performance grout (UHPG) grout appears to be good candidate for solidification and encapsulation of waste containing 99 Tc and 129 I that benefits from low Dobs. The properties that make UHPG a good candidate for encapsulating HEPA filters would make it a good option for microencapsulating other solid secondary waste (SSW) such as granular activated carbon, silver mordenite, and ion exchange resins. Containers made of UHPG would also be good candidates for dry disposal of SSW due to its very low diffusivity which prevents contaminant migration.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1990

Uses of Auger and x ray photoelectron spectroscopy in the study of adhesion and friction

Three studies are described characterizing the possible contributions of surface science to tribology. These include surface contamination formed by the interaction of a surface with the environment, contaminants obtained with diffusion of compounds, and surface chemical changes resulting from selective thermal evaporation. Surface analytical tools such as Auger electron spectroscopy (AES) and x ray photoelectron spectroscopy (XPS) incorporated directly into adhesion and friction systems are primarily used to define the nature of tribological surfaces before and after tribological experimentation and to characterize the mechanism of solid-to-solid interaction. Emphasis is on fundamental studies involving the role of surfaces in controlling the adhesion and friction properties of materials emerging as a result of the surface analyses. The materials which were studied include metals and ceramics such as elemental metals, amorphous alloys (metallic glasses), and silicon-based ceramics.

Miyoshi, Kazuhisa↗

NASA NTRS1993

A numerical study of confined turbulent jets

A numerical investigation is reported of turbulent incompressible jets confined in two ducts, one cylindrical and the other conical with a 5 degree divergence. In each case, three Craya-Curtet numbers are considered which correspond, respectively, to flow situations with no moderate and strong recirculation. Turbulence closure is achieved by using the k-epsilon model and a recently proposed realizable Reynolds stress algebraic equation model that relates the Reynolds stresses explicitly to the quadratic terms of the mean velocity gradients and ensures the positiveness of each component of the turbulent kinetic energy. Calculations are carried out with a finite-volume procedure using boundary-fitted curvilinear coordinates. A second-order accurate, bounded convection scheme and sufficiently fine grids are used to prevent the solutions from being contaminated by numerical diffusion. The calculated results are compared extensively with the available experimental data. It is shown that the numerical methods presented are capable of capturing the essential flow features observed in the experiments and that the realizable Reynolds stress algebraic equation model performs much better than the k-epsilon model for this class of flows of great practical importance.

Zhu, J.↗

NASA NTRS1993

Low power arcjet system spacecraft impacts

Potential plume contamination of spacecraft surfaces was investigated by positioning spacecraft material samples relative to an arcjet thruster. Samples in the simulated solar array region were exposed to the cold gas arcjet plume for 40 hrs to address concerns about contamination by backstreaming diffusion pump oil. Except for one sample, no significant changes were measured in absorptance and emittance within experimental error. Concerns about surface property degradation due to electrostatic discharges led to the investigation of the discharge phenomenon of charged samples during arcjet ignition. Short duration exposure of charged samples demonstrated that potential differences are consistently and completely eliminated within the first second of exposure to a weakly ionized plume. The spark discharge mechanism was not the discharge phenomenon. The results suggest that the arcjet could act as a charge control device on spacecraft.

Pencil, Eric J.↗

DOE OSTI2024

Significance of Low‐Velocity Zones on Solute Retention in Rough Fractures

Natural fractures are characterized by high internal heterogeneity. This internal variability is the cause of flow channeling, which in turn leads to contaminant transport taking place primarily along the high-velocity channels. Mass exchange between the high-velocity channels and the low-velocity zones has the potential to enhance contaminant retention, due to solute diffusion into the low-velocity zones and subsequent exposure to additional surface area for diffusion into the bordering rock matrix. Here, we derive a random walk particle tracking method for heterogeneous fractures, which includes an additional term to account for the aperture gradient. The method takes into account advection, diffusion in the fracture and matrix diffusion. The developed numerical framework is applied to assess the effect of low-velocity zones in rough self-affine fractures. The results show that diffusion into low-velocity zones has a visible but modest impact on contaminant retention. The magnitude of this impact does not change considerably, regardless of whether diffusion into the rock matrix is considered in the model, and increases for a decreasing average Péclet number of the fracture.

58 GEOSCIENCES↗

DOE OSTI2020

A Particle-Based Conditional Sampling Scheme for the Simulation of Transport in Fractured Rock With Diffusion Into Stagnant Water and Rock Matrix

In situ experiments and field-scale characterization studies have pointed out that, in fractured crystalline media, groundwater flow is highly channelized. This implies that, at the scale of a single fracture, only part of the fracture surface area is in contact with flowing water, while the rest of in-plane water is essentially stagnant and can be accessed by solutes via molecular diffusion. Despite their importance for contaminant retention, to date, there are no numerical or analytical approaches that could be used to assess the implication of stagnant water zones on solute transport in realistic large-scale Discrete Fracture Network-based models. In this study, we present an efficient and flexible algorithm for the simulation of transport in fractured rock with diffusion into stagnant water and rock matrix. The algorithm is a generalization of a previously developed numerical framework for time domain particle tracking in sparsely fractured rock. The key of the generalization is that total time in fracture (τ f ) is first evaluated using a Monte Carlo sampling and then a second sampling is performed conditioned on τ f . The algorithm has been successfully validated against existing independent solutions and the implication of diffusion into stagnant water and secondary diffusion into the matrix has been assessed for a realistic modeling scenario. The results show that, due to diffusion into stagnant water, contaminants are more strongly retarded. This increased retention is more significant for sorbing species, as a larger number of sorption sites is accessible. A high sensitivity to the flowing channel/stagnant water zone geometry has also been observed.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Performance of fly ash concrete with ferronickel slag fine aggregate against alkali-silica reaction and chloride diffusion

Ferronickel slag (FNS) is an industrial by-product of ferronickel alloy production at a high temperature which can be a promising potential to be used as fine aggregate to produce more sustainable concrete. In this study, the performance of concrete containing ferronickel slag sand and fly ash relating to alkali-silica reaction (ASR) and chloride contamination was investigated. ASR-induced expansion, chloride diffusion resistance, and chloride binding capacity of FNS concrete were determined through concrete prism tests (CPT), accelerated diffusion test, and bulk diffusion test. Thermogravimetric analysis (TGA) was conducted to measure the amount of Portlandite and Friedel's salt in concrete. Concrete with 50 wt% FNS sand as fine natural aggregate replacement and 25 wt% of cement replacement by fly ash showed a remarkable potential to be used not only as a low-carbon concrete with comparable mechanical properties to conventional concrete but also with a better performance against ASR and chloride contamination.

36 MATERIALS SCIENCE↗

NASA NTRS2017

Application of Molecular Adsorber Coatings in Chamber A for the James Webb Space Telescope

As a coating made of highly porous zeolite materials, the Molecular Adsorber Coating (MAC) was developed to capture outgassed molecular contaminants, such as hydrocarbons and silicones. For spaceflight applications, the adsorptive capabilities of the coating can alleviate on-orbit outgassing concerns on or near sensitive surfaces and instruments within the spacecraft. Similarly, this sprayable paint technology has proven to be significantly beneficial for ground-based space applications, in particular, for vacuum chamber environments. This presentation describes the application of the MAC technology for the James Webb Space Telescope (JWST) at NASA Johnson Space Center (JSC). The coating was used as a mitigation tool to entrap outgassed contaminants, specifically silicone-based diffusion pump oil, from within JSCs cryogenic optical vacuum chamber test facility called Chamber A. This presentation summarizes the background, fabrication, installation, chemical analysis test results, and future plans for the MAC technology, which was effectively used to protect the JWST test equipment from vacuum chamber contamination. As a coating made of highly porous zeolite materials, the Molecular Adsorber Coating (MAC) was developed to capture outgassed molecular contaminants, such as hydrocarbons and silicones. For spaceflight applications, the adsorptive capabilities of the coating can alleviate on-orbit outgassing concerns on or near sensitive surfaces and instruments within the spacecraft. Similarly, this sprayable paint technology has proven to be significantly beneficial for ground-based space applications, in particular, for vacuum chamber environments. This presentation describes the application of the MAC technology for the James Webb Space Telescope (JWST) at NASA Johnson Space Center (JSC). The coating was used as a mitigation tool to entrap outgassed contaminants, specifically silicone-based diffusion pump oil, from within JSCs cryogenic optical vacuum chamber test facility called Chamber A. This presentation summarizes the background, fabrication, installation, chemical analysis test results, and future plans for the MAC technology, which was effectively used to protect the JWST test equipment from vacuum chamber contamination.

molecular contamination↗

NASA NTRS1989

Effects of H2O, CO2, and N2 air contaminants on critical airside strain rates for extinction of hydrogen-air counterflow diffusion flames

Dish-shaped counterflow diffusion flames centered by opposing laminar jets of H2 and clean and contaminant O2/N2 mixtures in an argon bath at 1 atm were used to study the effects of contaminants on critical airside strain. The jet velocities for both flame extinction and restoration are found for a wide range of contaminant and O2 concentrations in the air jet. The tests are also conducted for a variety of input H2 concentrations. The results are compared with those from several other studies.

Pellett, G. L.↗

NASA NTRS2016

The Use of the Molecular Adsorber Coating Technology to Mitigate Vacuum Chamber Contamination During Pathfinder Testing for the James Webb Space Telescope

molecular contamination↗

NASA NTRS1988

Modeling of hydrogen-air diffusion flame

Work performed during the first six months of the project duration for NASA Grant (NAG-1-861) is reported. An analytical and computational study of opposed jet diffusion flame for the purpose of understanding the effects of contaminants in the reactants and thermal diffusion of light species on extinction and reignition of diffusion flames is in progress. The methodologies attempted so far are described.

Isaac, K. M.↗

NASA NTRS1989

Modeling of hydrogen-air diffusion flame

An analytical and computational study of opposed jet diffusion flame for the purpose of understanding the effects of contaminants in the reactants and thermal diffusion of light species on extinction and reignition of diffusion flames is in progress. The methodologies that have been attempted so far are described. Results using a simple, one-step reaction for the hydrogen-air counterflow diffusion flame are presented. These results show the correct trends in the profiles of chemical species and temperature. The extinction limit can be clearly seen in the plot of temperature vs. Damkohler number.

Isaac, K. M.↗

NASA NTRS2007

A Catalog of Galaxy Clusters Observed by XMM-Newton

Images and the radial profiles of the temperature, abundance, and brightness for 70 clusters of galaxies observed by XMM-Newton are presented along with a detailed discussion of the data reduction and analysis methods, including background modeling, which were used in the processing. Proper consideration of the various background components is vital to extend the reliable determination of cluster parameters to the largest possible cluster radii. The various components of the background including the quiescent particle background, cosmic diffuse emission, soft proton contamination, and solar wind charge exchange emission are discussed along with suggested means of their identification, filtering, and/or their modeling and subtraction. Every component is spectrally variable, sometimes significantly so, and all components except the cosmic background are temporally variable as well. The distributions of the events over the FOV vary between the components, and some distributions vary with energy. The scientific results from observations of low surface brightness objects and the diffuse background itself can be strongly affected by these background components and therefore great care should be taken in their consideration.

Snowden, S. L.↗

DOE OSTI2021

Measured influence of overhead HVAC on exposure to airborne contaminants from simulated speaking in a meeting and a classroom

Tracer gas experiments were conducted in a 158 m 3 room with overhead supply diffusers to study dispersion of contaminants from simulated speaking in physically distanced meeting and classroom configurations. The room was contained within a 237 m 3 cell with open plenum return to the HVAC system. Heated manikins at desks and a researcher operating the tracer release apparatus presented 8-9 thermal plumes. Experiments were conducted under conditions of no forced air and neutral, cooled, or heated air supplied at 980-1100 cmh, and with/out 20% outdoor air. CO 2 was released at the head of one manikin in each experiment to simulate small (< 5 µm diameter) respiratory aerosols. The metric of exposure relative to perfectly mixed (ERM) is introduced to quantify impacts, based on measurements at manikin heads and at three heights in the center and corners of the room. Chilled or neutral supply air provided good mixing with ERMs close to one. Thermal stratification during heating produced higher ERMs at most manikins: 25% were ≥ 2.5 and the highest were > 5× perfectly mixed conditions. Operation of two within-zone air cleaners together moving ≥400 cmh vertically in the room provided enough mixing to mitigate elevated exposure variations.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1989

Effects of H2O, CO2, and N2 Air Contaminants on Critical Airside Strain Rates for Extinction of Hydrogen-Air Counterflow Diffusion Flames

Coaxial tubular opposed jet burners (OJB) were used to form dish shaped counterflow diffusion flames (CFDF), centered by opposing laminar jets of H2, N2 and both clean and contaminated air (O2/N2 mixtures) in an argon bath at 1 atm. Jet velocities for flame extinction and restoration limits are shown versus wide ranges of contaminant and O2 concentrations in the air jet, and also input H2 concentration. Blowoff, a sudden breaking of CFDF to a stable ring shape, occurs in highly stretched stagnation flows and is generally believed to measure kinetically limited flame reactivity. Restore, a sudden restoration of central flame, is a relatively new phenomenon which exhibits a H2 dependent hysteresis from Blowoff. For 25 percent O2 air mixtures, mole for mole replacement of 25 percent N2 contaminant by steam increased U(air) or flame strength at Blowoff by about 5 percent. This result is consistent with laminar burning velocity results from analogous substitution of steam for N2 in a premixed stoichiometric H2-O2-N2 (or steam) flame, shown by Koroll and Mulpuru to promote a 10 percent increase in experimental and calculated laminar burning velocity, due to enhanced third body efficiency of water in: H + O2 + M yields HO2 + M. When the OJB results were compared with Liu and MacFarlane's experimental laminar burning velocity of premixed stoichiometric H2 + air + steam, a crossover occurred, i.e., steam enhanced OJB flame strength at extinction relative to laminar burning velocity.

Pellett, G. L.↗

NASA NTRS1988

Modeling of hydrogen-air diffusion flame

The present research objective is to determine the effects of contaminants on extinction limits of simple, well defined, counterflow Hydrogen 2-air diffusion flames, with combustion at 1 atmosphere. Results of extinction studies and other flame characterizations, with appropriate mechanistic modeling (presently underway), will be used to rationalize the observed effects of contamination over a reasonably wide range of diffusion flame conditions. The knowledge gained should help efforts to anticipate the effects of contaminants on combustion processes in Hydrogen 2-fueled scramjets.

Isaac, Kakkattukuzhy↗

DOE OSTI2023

The Riddle of Dark LLZO: Cobalt Diffusion in Garnet Separators of Solid‐State Lithium Batteries

Abstract Solid‐state batteries (SSBs) with a Li 7 La 3 Zr 2 O 12 (LLZO) garnet electrolyte are attracting much attention as robust and safe alternative to conventional lithium‐ion batteries. Technical challenges in the practical implementation of garnet SSBs are related to the need for high‐temperature sintering, which often leads to undesirable chemical reactions with the cathode material. While these reactions are well understood for composite cathodes, very little is known about similar processes between cathode and separator during battery fabrication. This work focuses on understanding the processes between the composite LiCoO 2 ‐LLZO cathode and the LLZO separator and how they affect the battery performance. The extensive diffusion of Co‐ions within LLZO, which leads to the often‐observed LLZO darkening, is shown to have a significant impact on ionic conductivity, electronic conductivity, and dendrite stability of the separator. Experimental data coupled with large‐scale molecular dynamics simulations uncover the diffusion mechanism for Co‐ions and identify secondary phases that form during these interactions. In addition to extensive Co‐ion diffusion within the grains, a non‐uniform segregation of Co‐ions at grain boundaries is found leading to the formation of three distinct Co‐containing phases. This work offers a general approach to studying the fundamental ion diffusion processes that occur during the fabrication of oxide SSBs.

electrochemical properties↗

DOE OSTI2023

Effects of Mineral Impurities and Heat on Uranium(VI) Sorption onto Bentonite (Final Report)

Most nuclear waste disposal options include compacted bentonite, consisting of montmorillonite clay, as part of a barrier system to minimize contaminant mobility. Uranium (U) is the primary element in spent nuclear fuel, and from an environmental perspective, a potential contaminant of water resources. Furthermore, uranium may control nuclear fuel degradation rates and the consequent release of other radioactive contaminants based on its diffusive transport away from waste canisters. Uranium sorption onto clay and other mineral surfaces is expected to limit U(VI) mobility in these systems. However, at this point a prediction of U(VI) sorption and transport behavior in performance assessment (PA) models is complicated by a series of factors, such as: (1) the presence of various U(VI) solution species with different charges and sorption characteristics; (2) the complex microstructure of montmorillonite clay resulting in two types of clay porosities and multiple sorption sites; (3) the largely unknown effects of bentonite mineral impurities on pore water chemistry, U(VI) sorption and diffusion behavior; and (4) the potential impacts of heat, generated by the decay of spent fuel, on mineralogical and microstructural transformations, and any subsequent effects on radionuclide sorption and mobility. In this project, we investigated the effects of calcite impurities on U(VI) sorption and diffusion onto montmorillonite before and after mineral exposure to heat. Overall, our main goals were to: 1. Gain a mechanistic understanding of the effects of calcite impurities on U(VI) sorption and diffusion in montmorillonite/bentonite at variable chemical conditions, and before and after mineral exposure to heat; and to 2. Work towards the development of new surface complexation and diffusion models to predict U(VI) sorption and mobility in montmorillonite/bentonite while accounting for the impacts of calcite impurities and heat. In order to achieve these goals, we pursued the following research objectives and tasks: 1. Characterize the effects of calcite impurities on U(VI) sorption onto Na-montmorillonite, and evaluate if and how these effects change due to solids’ exposure to heat (Task 1). 2. Characterize U(VI) surface speciation in solid samples from Task 1, with a particular focus on U(VI) precipitates and co-precipitates (Task 2). 3. Test the relevance of observed changes in U(VI) sorption characteristics for U(VI) diffusive transport behavior in bentonite barriers (Task 3). 4. Evaluate the exclusion of anionic U(VI) solution complexes from clay nanopores (Task 4). 5. Building on Tasks 1-4, start the development of new surface complexation and reactive transport models that can simulate and predict U(VI) sorption and diffusion in complex bentonite systems (Task 5). A detailed description of all tasks, and their specific results and conclusions is provided in this report.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗