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DOE OSTI2024

Thiol-Functionalized Adsorbents through Atomic Layer Deposition and Vapor-Phase Silanization for Heavy Metal Ion Removal

The removal of toxic heavy metal ions from water resources is crucial for environmental protection and public health. In this study, we address this challenge by developing a surface functionalization technique for the selective adsorption of these contaminants. Our approach involves atomic layer deposition (ALD) followed by vapor-phase silanization of porous substrates. We utilized porous silica gel powder (similar to 100 mu m particles, 89 m 2 /g surface area, similar to 30 nm pores) as an initial substrate. This powder was first coated with similar to 0.5 nm ALD Al 2 O 3 , followed by vapor-phase grafting of a thiol-functional silane. The modified powder, particularly in acidic conditions (pH = 4), showed high selectivity in adsorbing Cd(II), As(V), Pb(II), Hg(II), and Cu(II) heavy metal ions in mixed ion solutions over common benign ions (e.g., Na, K, Ca, and Mg). Langmuir adsorption isotherms and breakthrough adsorption studies were conducted to assess heavy metal binding affinity and revealed the order of Cd(II) < Pb(II) < Cu(II) < As(V) < Hg(II), with a significantly higher affinity for As(V) and Hg(II) ions. Time-dependent uptake studies demonstrated rapid removal of heavy metal ions from aqueous environments, with Hg(II) exhibiting the fastest adsorption kinetics on thiol-modified surfaces. Finally, these findings highlight the potential of ALD and vapor-phase silanization to create effective adsorbents for the targeted removal of hazardous contaminants from water.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Yield degradation mechanisms for two-shock capsules evaluated through simulations

An investigation of twenty two-shock campaign indirectly driven capsules on the National Ignition Facility was conducted using the xRAGE computer code. The two-shock platform was developed to look at the sensitivity of fuel–ablator mix with shock timing, asymmetry, surface roughness, and convergence on roughly ignition size scale capsules. This platform used CH/CD (plastic/deuterated plastic) shell capsules that were about 685-μm outer radius and filled with D2 or hydrogen-tritium (HT) gas. The experimental radius and velocity vs time, neutron yield, burn averaged ion temperature (Tion), burn width, and self-emission image size were compared to one-dimensional (1D) and two-dimensional (2D) simulations. Our 2D simulations suggest that the mixing of glass from the fill tube was the dominant source of impurity in the gas region of the capsule during burn, along with fuel–ablator mix. The mass of glass mixed in is about 5–10 ng. Our 2D simulations capture most of the yield trends from different degradation mechanisms, and they match the observed burn width and Tion measurements. Our 2D models match all the available data to within 2.5 times the normalized experimental error for 19 of 20 capsules.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Intricate structure of the plasma Rayleigh–Taylor instability in shock tubes

Spikes and bubbles grow on unstable interfaces that are accelerated in high-energy-density conditions. If a shock propagates ahead of the interface, the plasma can be heated to extreme conditions where conduction and radiation fluxes influence the hydrodynamics. For example, a National Ignition Facility experiment found reduced single-mode nonlinear mixed-width growth in conditions scaled from a supernova explosion. We present high-resolution two-dimensional radiation hydrodynamic simulations with the Flash code that quantitatively reproduce the experiment. Radiative fluxes are primarily responsible for ablating the spike and removing the mushroom caps. The ablated plasma increases the mixed mass and forms a low-density halo with spikes forming in both directions. This is considerably more complex than classical instability. The halo is sensitive to ablative physics, so radiographing it may aid in the verification of energy transport modeling. Although ablation changes the spike shape, it has little effect on the overall mixed width for these parameters. This is because ablation enhances the bubble velocity but it has the opposite effect on the spike. The radiation transport instead suppresses the growth via increasing the shocked foam density, thus decreasing the Atwood number. Furthermore, a terminal velocity model including the rarefaction expansion agrees with the experimental mixed-width growth.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Biotic Interactions Are More Important than Propagule Pressure in Microbial Community Invasions

ABSTRACT Microbial probiotics are intended to improve functions in diverse ecosystems, yet probiotics often fail to establish in a preexisting microbiome. This is a species invasion problem. The relative importance of the two major factors controlling establishment in this context—propagule pressure (inoculation dose and frequency) and biotic interactions (composition of introduced and resident communities)—is unknown. We tested the effect of these factors in driving microbial composition and functioning following 12 microbial community invasions (e.g., introductions of many microbial invaders) in microcosms. Ecosystem functioning over a 30-day postinvasion period was assessed by measuring activity (respiration) and environment modification (dissolved organic carbon abundance). To test the dependence on environmental context, experiments were performed in two resource environments. In both environments, biotic interactions were more important than propagule pressure in driving microbial composition and community function, but the magnitude of effect varied by environment. Successful invaders comprised approximately 8% of the total number of operational taxonomic units (OTUs). Bacteria were better invaders than fungi, with average relative abundances of 7.4% ± 6.8% and 1.5% ± 1.4% of OTUs, respectively. Common bacterial invaders were associated with stress response traits. The most resilient bacterial and fungal families, in other words, those least impacted by invasions, were linked to antimicrobial resistance or production traits. Illuminating the principles that determine community composition and functioning following microbial invasions is key to efficient community engineering. IMPORTANCE With increasing frequency, humans are introducing new microbes into preexisting microbiomes to alter functioning. Example applications include modification of microflora in human guts for better health and those of soil for food security and/or climate management. Probiotic applications are often approached as trial-and-error endeavors and have mixed outcomes. We propose that increased success in microbiome engineering may be achieved with a better understanding of microbial invasions. We conducted a microbial community invasion experiment to test the relative importance of propagule pressure and biotic interactions in driving microbial community composition and ecosystem functioning in microcosms. We found that biotic interactions were more important than propagule pressure in determining the impact of microbial invasions. Furthermore, the principles for community engineering vary among organismal groups (bacteria versus fungi).

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

An Integrated Flame Spray Process for Low Cost Production of Battery Materials for Lithium Ion Batteries and Beyond

The overall objective of this project was to develop an advanced manufacturing technology for Li-ion battery materials production at low cost and in a green chemical process using glycerol as solvent to replace water. It was aimed at developing a prototype pilot production line to reduce production cost by at least 25% to the baseline. During the course of this project, research was conducted to understand spray drying and combustion of eutectic solvent precursors of glycerol and metal salts (acetates) in the formation of mixed metal oxide powders. Reactor design and optimization were done to facilitate spray drying and combustion in powder formation and processing. Various cathode materials powders were produced, including lithium nickel-cobalt-manganese oxide (NCM) and lithium nickel-cobalt-aluminum oxide (NCA). These cathode materials powders were tested in half coin cells for their performances, with materials performances of 160 mAh/g for NCM111 and 200 mAh/g for NCA. NCA powders were also produced using a slurry spray-drying process and tested in full pouch cells. A pilot scale flame assisted spray drying reactor was constructed and demonstrated for its production rate exceeding the target of production rate of four metric tons per year. The work performed in this project has been documented in 9 peer reviewed journal publications, 8 conference presentations, and two IP disclosures/patent applications.

25 ENERGY STORAGE↗

NASA NTRS1976

PMR polyimide/graphite fiber composite fan blades

Ultrahigh speed fan blades, designed in accordance with the requirements of an ultrahigh tip speed blade axial flow compressor, were fabricated from a high strength graphite fiber tow and a PMR polyimide resin. The PMR matrix was prepared by combining three monomeric reactants in methyl alcohol, and the solution was applied directly to the reinforcing fiber for subsequent in situ polymerization. Some of the molded blades were completely finished by secondary bonding of root pressure pads and an electroformed nickel leading edge sheath prior to final machining. The results of the spin testing of nine PMR fan blades are given. Prior to blade fabrication, heat resin tensile properties of the PMR resin were examined at four formulated molecular weight levels. Additionally, three formulated molecular weight levels were investigated in composite form with both a high modulus and a high strength fiber, both as-molded and postcured, in room temperature and 232 C transverse tensile, flexure and short beam shear. Mixed fiber orientation panels simulating potential blade constructions were also evaluated. Flexure tests, short beam shear tests, and tensile tests were conducted on these angle-plied laminates.

Cavano, P. J.↗

NASA NTRS1978

Energy Efficient Engine Preliminary Design and Integration Studies

The technology and configurational requirements of an all new 1990's energy efficient turbofan engine having a twin spool arrangement with a directly coupled fan and low-pressure turbine, a mixed exhaust nacelle, and a high 38.6:1 overall pressure ratio were studied. Major advanced technology design features required to provide the overall benefits were a high pressure ratio compression system, a thermally actuated advanced clearance control system, lightweight shroudless fan blades, a low maintenance cost one-stage high pressure turbine, a short efficient mixer and structurally integrated engine and nacelle. A conceptual design analysis was followed by integration and performance analyses of geared and direct-drive fan engines with separate or mixed exhaust nacelles to refine previously designed engine cycles. Preliminary design and more detailed engine-aircraft integration analysis were then conducted on the more promising configurations. Engine and aircraft sizing, fuel burned, and airframe noise studies on projected 1990's domestic and international aircraft produced sufficient definition of configurational and advanced technology requirements to allow immediate initiation of component technology development.

Gray, D. E.↗

NASA NTRS1980

Some effects of cruise speed and engine matching of supersonic inlet design

An analytical study was conducted to determine the impact of flight Mach number on inlet type selection for a supersonic cruise aircraft. External and mixed-compression axisymmetric and two-dimensional inlets were considered. The internal contraction of the mixed-compression inlets was limited to achieve self-starting. At Mach 2.0, the axisymmetric mixed-compression inlet provided the best aircraft range. At Mach 2.3, the two-dimensional mixed-compression inlet was the most attractive if enough variable geometry were incorporated to minimize spillage during subsonic cruise. Increases in takeoff-to-cruise air flow ratio gave lower aircraft range.

Bangert, L. H.↗

NASA NTRS1981

A parametric study of staged fuel injector configurations for scramjet applications

A parametric study of staged (multiple) perpendicular fuel injector configurations has been conducted using a computer code which solves the two-dimensional elliptic Navier-Stokes equations. The program computes the turbulent mixing and reaction of hydrogen fuel and air and allows the study of separated regions of the flow immediately preceding and following the injectors. The validity of the code is demonstrated in a cold flow helium injection study with a single injector. Results are presented that describe the flow field near opposing staged injectors over a range of parameters. Parameters that are varied include injector size, fuel split, and distance between injectors. Comparisons of the configurations are made to assess their mixing and potential flame-holding qualities.

Weidner, E. H.↗

NASA NTRS1986

Effects of salinity on the microwave emission of soils

Controlled plot experiments were conducted to collect L and C band passive microwave data concurrent with ground observations of salinity and soil moisture. Two dielectric mixing models were used with an emission model to predict the emissivity from a bare smooth uniform profile. The models produce nearly identical results when near zero salinity is involved and reproduce the observed data at L band extremely well. Discrepancies at C band are attributed to sampling depth problems. Comparisons of predicted emissivities at various salinities with observed values indicate that the dynamic range of the emissivities can be explained using either of the dielectric mixing models. Evaluation of the entire data set, which included four salinity levels, indicates that for general application the effects of soil salinity can be ignored in interpreting microwave data for estimating soil moisture under most agricultural conditions.

Jackson, T. J.↗

NASA NTRS1987

Internal computational fluid mechanics on supercomputers for aerospace propulsion systems

The accurate calculation of three-dimensional internal flowfields for application towards aerospace propulsion systems requires computational resources available only on supercomputers. A survey is presented of three-dimensional calculations of hypersonic, transonic, and subsonic internal flowfields conducted at the Lewis Research Center. A steady state Parabolized Navier-Stokes (PNS) solution of flow in a Mach 5.0, mixed compression inlet, a Navier-Stokes solution of flow in the vicinity of a terminal shock, and a PNS solution of flow in a diffusing S-bend with vortex generators are presented and discussed. All of these calculations were performed on either the NAS Cray-2 or the Lewis Research Center Cray XMP.

Andersen, Bernhard H.↗

NASA NTRS1987

Salinity effects on the microwave emission of soils

Jackson, Thomas J.↗

NASA NTRS1987

Shear flow instability generated by non-homogeneous external forcing

An experiment has been designed and conducted in order to ascertain whether instability waves can be generated by nonhomogeneous forcing, using a biconvex vane located outside the mixing layer whose oscillation was induced by an electromagnetic shaker through a linkage. The vane was oscillated at 20 Hz, and the resulting spectra were computed by a spectrum analyzer. The data are judged to provide an example of instability waves generated solely through nonhomogeneous forcing.

Durbin, P. A.↗

NASA NTRS1990

Drop coalescence studies

The objective of this experimental study is to understand the detailed mechanics of the coalescence of liquid drops. The experiments are being conducted in an immiscible acoustic levitator with degassed water as the host medium. Typically, a quasineutrally buoyant drop of silicon oil mixed with bromobenzene is levitated close to the velocity node of the levitator. A second drop of the same liquid is introduced, and as it slowly seeks levitation position, the drops coalesce. Coalescence is delayed until the host film between drops is completely drained. Following coalescence, the excess surface energy in the coalesced drop is dissipated through shape oscillations. The final events of film rupture followed by drop coalescence are rapid and are photographically studied with high-speed video (1000 fps). The laser-induced fluorescence technique is used to visualize the dynamics of host film drainage. The details of the coalescence mechanics are presented.

Anikumar, A. V.↗

NASA NTRS1991

Planar imaging of the mixing characteristics of a multi-element triplet injector

Planar light scattering has been used to investigate the turbulent mixing in a multi-element triplet injector at mixture ratio conditions typical of liquid rocket engine gas generators. Experiments were conducted at atmospheric pressure using air seeded with smoke particles to simulate the oxidizer flow and unseeded air to simulate the fuel. Data sets of 200 images (containing 122,000 simultaneous measurements each) of the instantaneous distribution of the scattered light were acquired at several positions throughout the flow. These images have been processed digitally to produce local distributions of the average and rms fluctuation of the mixture fraction. In addition, the spatial autocorrelation of the images has been calculated and analyzed to determine a mean length scale related to the large scale structures in the flow.

Makel, D. B.↗

NASA NTRS1990

A new thermal sensor for X-ray microcalorimetry

A concept for a detector is introduced which exploits the significant temperature dependence of the dielectric constant in ferroelectric materials. The concept permits the use of a microcalorimeter without the resistive sensors which are associated with heat dissipation and increased Johnson noise in the electronic conversion circuit. General calorimeter features are listed, and the concepts related to dielectric calorimeters are discussed in terms of operational and detection advantages. The use of the device is delineated both theoretically and experimentally with the results of an operational dielectric material. The mixed-crystal quantum ferroelectric is employed and detects 6 MeV alpha particles while operating at 1.2 K in the first detection conducted. The temperature dependence of the dielectric constant in the materials allows for the elimination of resistive sensors in microcalorimeters, thereby improving the ultimate sensitivity of the instrument.

Silver, Eric↗

NASA NTRS1993

CFD validation of subsonic turbulent planar shear layers

The primary objective of the present study is to assess the limitations and capabilities of RPLUS in predicting the entrainment, mixing, and burning characteristics of a high subsonic planar shear layer; these computations are performed in conjunction with an experiment being conducted at NASA Lewis Research Center. Turbulence is modeled by a two-equation k-epsilon closure modified for compressibility effects. Combustion is modeled by two different models: one in which a finite-rate laminar chemistry model is used for H2-O2 oxidation, and the other based on a composition joint pdf approach to account for the turbulence-chemistry interaction effects. Between upwind and centered differencing schemes, minimal differences are observed for the flow properties of a nonreacting shear layer case studied. In comparison with experimental data, computed growth rates are underpredicted in both reacting and nonreacting cases of a shear layer, but more severely for the reacting flows. However, the qualitative agreement between computation and experiment is reasonably good for the other observable characteristics, and indicative of potential for further improvements.

Lai, H. T.↗

NASA NTRS1999

Ocean-Atmosphere Interaction in Climate Changes

The diagram, which attests the El Nino teleconnection observed by the NASA Scatterometer (NSCAT) in 1997, is an example of the results of our research in air-sea interaction - the core component of our three-part contribution to the Climate Variability Program. We have established an interplay among scientific research, which turns spacebased data into knowledge, a push in instrument technology, which improves observations of climate variability, and an information system, which produces and disseminates new data to support our scientific research. Timothy Liu led the proposal for advanced technology, in response to the NASA Post-2002 Request for Information. The sensor was identified as a possible mission for continuous ocean surface wind measurement at higher spatial resolution, and with the unique capability to measure ocean surface salinity. He is participating in the Instrument Incubator Program to improve the antenna technology, and is initiating a study to integrate the concept on Japanese missions. He and his collaborators have set up a system to produce and disseminate high level (gridded) ocean surface wind/stress data from NSCAT and European missions. The data system is being expanded to produce real-time gridded ocean surface winds from Quikscat, and precipitation and evaporation from the Tropical Rain Measuring Mission. It will form the basis for a spacebased data analysis system which will include momentum, heat and water fluxes. The study on 1997 El Nino teleconnection illustrates our interdisciplinary and multisensor approach to study climate variability. The diagram shows that the collapse of trade wind and the westerly wind anomalies in the central equatorial Pacific led to the equatorial ocean warming. The equatorial wind anomalies are connected to the anomalous cyclonic wind pattern in the northeast Pacific. The anomalous warming along the west coast of the United States is the result of the movement of the pre-existing warm sea surface temperature anomalies with the cyclonic wind anomalies toward the coast. The results led to a new study which identifies decadal ocean variations in the Northeast Pacific. Three studies of oceanic responses to wind forcing caused by the seasonal change of monsoons, the passage of a typhoon, and the 1997 El Nino, were successfully conducted. Besides wind forcing, we continue to examine new techniques for estimating thermal and hydrologic fluxes, through the inverse ocean mixed-layer model, through divergence of atmospheric water transport, and by direct retrieval from radiances observed by microwave radiometers. Greenhouse warming has been linked to water vapor measured by two spaceborne sensors in two studies. In the first study, strong baroclinicity and deep convection were found to transport water vapor to the upper atmosphere and increase greenhouse trapping over the storm tracks of the North Pacific and Atlantic. In another study, the annual cycle of greenhouse warming were related to sea surface temperature (SST) and integrated water vapor, and the latitudinal dependence of the magnitudes and phases of the annual cycles were compared.

Liu, W. Timothy↗