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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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At least 19 records

Synergetic Effects of Soil Organic Matter Components During Interactions with Minerals

Mineral-associated soil organic matter (SOM) is critical for stabilizing organic carbon and mitigating climate change. However, mineral-SOM interactions at the molecular scale, particularly synergetic adsorption through organic-organic interaction on the mineral surface known as organic multilayering, remain poorly understood. This study investigates the impact of organic multilayering on mineral-SOM interactions, by integrating macroscale experiments and molecular-scale simulations that assess the individual and sequential adsorption of major SOM compounds – lauric acid (lipid), pentaglycine (amino acid), trehalose (carbohydrate), and lignin onto soil minerals. Ferrihydrite, Al-hydroxide, and calcite are exposed to SOM compounds to determine adsorption affinities and binding energies. Results show that lauric acid has 20-40 times higher K d than pentaglycine, following the order K d (ferrihydrite) > K d (Al-hydroxide) >> K d (calcite). Molecular-scale simulations confirm that lauric acid has a higher binding energy (30.8 kcal/mol) on ferrihydrite than pentaglycine (6.0 kcal/mol), attributed to lipid hydrophobicity. The lower binding energy of pentaglycine results from its hydrophilic amide groups, facilitating partitioning into water. Sequential experiments examine how the first layer of lipid or amino acid affects the adsorption of carbohydrate/lignin, which show little or no individual adsorption affinities. Macroscale results reveal that lipid and amino acid adsorption induce ferrihydrite particle repulsion increasing reactive surface area and enhancing carbohydrate/lignin adsorption independently and synergistically through organic multilayering. Molecular-scale results reveal that amino acid adsorbed on ferrihydrite interacts more readily with lignin macroaggregates (preformed in solution) than with individual lignin units, indicating organic multilayering via H-bonding. Further, these findings reveal the molecular mechanisms of SOM-mineral interactions, crucial for enhancing soil carbon stabilization.

54 ENVIRONMENTAL SCIENCES↗

Kullback-Leibler information function and the sequential selection of experiments to discriminate among several linear models

A sequential adaptive experimental design procedure for a related problem is studied. It is assumed that a finite set of potential linear models relating certain controlled variables to an observed variable is postulated, and that exactly one of these models is correct. The problem is to sequentially design most informative experiments so that the correct model equation can be determined with as little experimentation as possible. Discussion includes: structure of the linear models; prerequisite distribution theory; entropy functions and the Kullback-Leibler information function; the sequential decision procedure; and computer simulation results. An example of application is given.

Sidik, S. M.↗

Nonthermal Plasma-Stimulated C–N Coupling from CH 4 and N 2 Depends on the Presence of Surface CH x and Plasma-Phase CN Species

Formation of C–N containing compounds from plasma-catalytic coupling of CH 4 and N 2 over various transition metals (Ni, Pd, Cu, Ag, and Au) is investigated using a multimodal spectroscopic approach, combining polarization-modulation infrared reflection–absorption spectroscopy (PM-IRAS) and optical emission spectroscopy (OES). Through sequential experiments utilizing CH 4 and N 2 nonthermal plasmas, we minimize plasma-phase reactions and identify key intermediates for C–N coupling on metal surfaces. Results show that simultaneous CH 4 and N 2 exposure with plasma stimulation produces surface C–N species. However, N 2 –CH 4 sequential exposure does not lead to C–N species formation, while CH 4 –N 2 sequential exposure reveals the presence of CH x surface species and CN radical species as key precursors to C–N species formation. From further analysis using X-ray photoelectron spectroscopy and liquid chromatography–mass spectrometry, the influence of exposure conditions on the degree of nitrogen incorporation and the nature of C–N species formed were revealed. The work highlights the importance of surface chemistry and exposure conditions in surface C–N coupling with plasma stimulation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

EcoBOT: an AI/ML enabled automated phenotyping capability for model plants

Introduction: Advances in automation and AI/ML offer new opportunities for plant science, including design, modeling, and analysis. This study aimed to develop an automated platform for researching small model plants under axenic conditions and integrate it with AI/ML tools. Methods: The EcoBOT platform was developed, which consists of sterile containers (EcoFABs) for growing plants and imaging for monitoring plant growth and health. Brachypodium distachyon was grown on the EcoBOT, and its response to nutrient limitation and copper stress was evaluated. Results: The results showed that Brachypodium distachyon grown in the EcoBOT maintained sterility and responded to nutrient limitation and copper stress. Analysis of over 6,500 root and shoot images revealed varying sensitivity and response rates to copper. Bayesian Optimization was used to improve model accuracies relating copper concentrations to plant biomass via sequential experiments, resulting in a >30% improvement. Discussion: The findings of this study demonstrate the potential of the EcoBOT platform for researching plant responses to environmental factors. Future experiments could focus on relating other chemical stresses and microbial interactions to create generalized models of plant responses.

AI image analysis↗

Model-Based Sequential Design of Experiments for Pilot Testing of Novel Water-Lean CO2 Capture Solvent

Poster for the 2024 Fossil Energy and Carbon Management Meeting. It summarizes work done on process modeling and uncertainty quantification in preparation for the test campaign at the National Carbon Capture Center for a general audience. The poster includes sections detailing background on the EEMPA solvent, sequential design of experiments, process modeling (including results from the model), uncertainty quantification, and the goals of the test campaign.

Hedrick, Katherine↗

Kullback-Leibler information function and the sequential selection of experiments to discriminate among several linear models

The error variance of the process prior multivariate normal distributions of the parameters of the models are assumed to be specified, prior probabilities of the models being correct. A rule for termination of sampling is proposed. Upon termination, the model with the largest posterior probability is chosen as correct. If sampling is not terminated, posterior probabilities of the models and posterior distributions of the parameters are computed. An experiment was chosen to maximize the expected Kullback-Leibler information function. Monte Carlo simulation experiments were performed to investigate large and small sample behavior of the sequential adaptive procedure.

Sidik, S. M.↗

Traveling-wave tube reliability estimates, life tests, and space flight experience

Infant mortality, useful life, and wearout phase of twt life are considered. The performance of existing developmental tubes, flight experience, and sequential hardware testing are evaluated. The reliability history of twt's in space applications is documented by considering: (1) the generic parts of the tube in light of the manner in which their design and operation affect the ultimate reliability of the device, (2) the flight experience of medium power tubes, and (3) the available life test data for existing space-qualified twt's in addition to those of high power devices.

Lalli, V. R.↗

An ab initio study of Fe(CO)n, n = 1,5, and Cr(CO)6

Ab initio calculations have been performed for Cr(CO)6 and Fe(CO)n, n = 1,5. Basis sets of better than double zeta quality are used, and correlation is included using the modified coupler-pair functional method. The computed geometries and force constants are in reasonable agreement with experiment. The sequential bond dissociation energies of CO from Fe(CO)5 are estimated to be: 39, 31, 25, 22, and greater than 5 kcal/mol. It is noted that the first bond dissociation energy is relative to the singlet ground state of Fe(CO)5 and the lowest singlet state of Fe(CO)4, whereas the second is relative to the ground triplet states of Fe(CO)4 and Fe(CO)3. In addition, the binding energy for Fe-CO would be modified to 18 kcal/mol if dissociation occurred to the Fe(5F) excited state asymptote. The CO binding energies for Fe and Cr are found to be in poorer agreement with experiment than those found in a previous study on Ni(CO)4. The origins of this difference are discussed.

Barnes, Leslie A.↗

Airplane Ice Detector Based on a Microwave Transmission Line

An electronic instrument that could detect the potentially dangerous buildup of ice on an airplane wing is undergoing development. The instrument is based on a microwave transmission line configured as a capacitance probe: at selected spots, the transmission-line conductors are partly exposed to allow any ice and/or liquid water present at those spots to act as predominantly capacitive electrical loads on the transmission line. These loads change the input impedance of the transmission line, as measured at a suitable excitation frequency. Thus, it should be possible to infer the presence of ice and/or liquid water from measurements of the input impedance and/or electrical parameters related to the input impedance. The sensory transmission line is of the microstrip type and thus thin enough to be placed on an airplane wing without unduly disturbing airflow in flight. The sensory spots are small areas from which the upper layer of the microstrip has been removed to allow any liquid water or ice on the surface to reach the transmission line. The sensory spots are spaced at nominal open-circuit points, which are at intervals of a half wavelength (in the transmission line, not in air) at the excitation frequency. The excitation frequency used in the experiments has been 1 GHz, for which a half wavelength in the transmission line is .4 in. (.10 cm). The figure depicts a laboratory prototype of the instrument. The impedance-related quantities chosen for use in this version of the instrument are the magnitude and phase of the scattering parameter S11 as manifested in the in-phase (I ) and quadrature (Q) outputs of the phase detector. By careful layout of the transmission line (including the half-wavelength sensor spacing), one can ensure that the amplitude and phase of the input to the phase detector keep shifting in the same direction as ice forms on one or more of the sensor areas. Although only one transmission-line sensor strip is used in the laboratory version, in a practical application, it could be desirable to install multiple strips on different areas to detect localized icing. In that case, a multiplexer should be used to connect the various strips to the phase detector for sequential measurements. Experiments have been performed with freezing and thawing of water and of water/glycol mixtures. The experiments have shown that, whether or not glycol is present, it is possible to distinguish between liquid water and ice via the I and Q outputs; in particular, the equipment can be adjusted so that when water freezes, I decreases and Q increases. With respect to the operation of this instrument, the main effect of glycol is to increase the freezing or thawing time.

Ngo, Phong↗

Ionization-driven competitive (recovery) process in pre-damaged KTaO 3 : A brief review

The nuclear (S n ) and electronic (S e ) energy dissipation processes have been considered to be independent and largely uncorrelated, influencing our understanding of ion–solid interaction and damage processes in the last decades. Recently, however, it has become more generally accepted that S n and S e are coupled as they interact both in time and space. To decouple these processes, separating these effects in experiments using sequential dual-beam irradiations have become accepted as the logical path to advance the understanding of complex interactions between S e and pre-existing defects that may be created from displacement events. This experimental approach has been recently applied to studies of KTaO 3 to reveal new insights into this critical research topic. Here, we offer a forward-looking and comprehensive perspective on the fundamental coupling between Se and pre-existing defects in KTaO 3 . The origins behind the competitive two-stage phase transition process leading to damage healing are revealed and discussed. Furthermore, the evidence resulting from synergistic effects is also included for comparison. Additionally, our findings are rationalized using both Se and the ion velocity as key parameters. We highlight how the inelastic thermal spike (i-TS) calculations provide insights into the nature of this coupled process and further confirm that the ion velocity effect governs annealing kinetics. This work emphasizes that through the introduction of a small amount of local disorder in materials, MeV ion irradiation (i.e., not extreme S e ) may also be one additional option in subsequent material modification and functionalization.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Surface-Initiated Atom Transfer Radical Polymerization Using Hydrogel Reactors

Atom transfer radical polymerization (ATRP) is a controlled radical polymerization method that enables the synthesis of tailored polymeric materials with low dispersity, highlighting its immense potential for green fabrication of advanced materials. However, its broader implementation is limited by challenges in product isolation, maintaining catalyst activity, and mitigating atmospheric sensitivity arising from oxygen-sensitive metal catalysts. Here, gelatin hydrogels (GHs) are introduced as a soft “reactor” matrix for interfacial ATRP, operating with minimal metal-catalyst loading while exhibiting possibly an organoreductive behavior. This strategy leverages activator regeneration via electron transfer through a ligand–metal charge-transfer (LMCT) mechanism to reduce oxidized metal catalysts within the GH network. Polymerization is evaluated by growing polymer brushes at an active interface formed between GHs swollen in monomer solution and an initiating surface, and sequential growth experiments confirmed that GH-mediated ATRP preserves living character. Under UV illumination, LMCT is activated, producing polymers both at the desired interface and within the GH bulk. UV–Vis spectroscopy revealed active reduction of Cu(II) to Cu(I) along with concentration-dependent complex formation, indicating dynamic coordination chemistry within the hydrogel. The redox-active arginine- and glutamic acid-rich gelatin backbone coordinates and reduces the metal center, enabling ATRP at ppm-level catalyst concentrations. While polymerization proceeds in GH-Cu(II) reactors, adding external mobile ligands to the GH results in longer polymer brushes. Here, the results reported here are exploratory. More experiments are needed to characterize polymer brush growth in GHs and compare it to conventional surface-initiated polymerization in solution.

Absorption↗

Resin/graphite fiber composites

High temperature resin matrices suitable for use in advanced graphite fiber composites for jet engine applications were evaluated. A series of planned, sequential screening experiments with resin systems in composite form were performed to reduce the number of candidates to a single A-type polyimide resin that repetitively produced void-free, high strength and modulus composites acceptable for use in the 550 F range for 1000 hours. An optimized processing procedure was established for this system. Extensive mechanical property studies characterized this single system, at room temperature, 500 F, 550 F and 600 F, for various exposure times.

Cavano, P. J.↗

The Biotechnology Facility for International Space Station

The primary mission of the Cellular Biotechnology Program is to advance microgravity as a tool in basic and applied cell biology. The microgravity environment can be used to study fundamental principles of cell biology and to achieve specific applications such as tissue engineering. The Biotechnology Facility (BTF) will provide a state-of-the-art facility to perform cellular biotechnology research onboard the International Space Station (ISS). The BTF will support continuous operation, which will allow performance of long-duration experiments and will significantly increase the on-orbit science throughput. With the BTF, dedicated ground support, and a community of investigators, the goals of the Cellular Biotechnology Program at Johnson Space Center are to: Support approximately 400 typical investigator experiments during the nominal design life of BTF (10 years). Support a steady increase in investigations per year, starting with stationary bioreactor experiments and adding rotating bioreactor experiments at a later date. Support at least 80% of all new cellular biotechnology investigations selected through the NASA Research Announcement (NRA) process. Modular components - to allow sequential and continuous experiment operations without cross-contamination Increased cold storage capability (+4 C, -80 C, -180 C). Storage of frozen cell culture inoculum - to allow sequential investigations. Storage of post-experiment samples - for return of high quality samples. Increased number of cell cultures per investigation, with replicates - to provide sufficient number of samples for data analysis and publication of results in peer-reviewed scientific journals.

Goodwin, Thomas↗

Experimenters' reference based upon Skylab experiment management

The methods and techniques for experiment development and integration that evolved during the Skylab Program are described to facilitate transferring this experience to experimenters in future manned space programs. Management responsibilities and the sequential process of experiment evolution from initial concept through definition, development, integration, operation and postflight analysis are outlined and amplified, as appropriate. Emphasis is placed on specific lessons learned on Skylab that are worthy of consideration by future programs.

Source record↗

MSFC Skylab experimenter's reference

The methods and techniques for experiment development and integration that evolved during the Skylab Program are described to facilitate transferring this experience to experimenters in future manned space programs. Management responsibilities and the sequential process of experiment evolution from initial concept through definition, development, integration, operation and postflight analysis are outlined in the main text and amplified, as appropriate, in appendixes. Emphasis is placed on specific lessons learned on Skylab that are worthy of consideration by future programs.

Source record↗