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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 685 records · Page 38

Development of deployable structures for large space platform systems. Volume 1: Executive summary

The preponderance of study effort was devoted toward the deployable platform systems study which culminated in the detailed design of a ground test article for future development testing. This design is representative of a prototype square-truss, single-fold building-block design that can construct deployable platform structures. This prototype design was selected through a comprehensive and traceable selection process applied to eight competitive designs. The selection process compared the competitive designs according to seven major selection criteria, i.e., design versatility, cost, thermal stability, meteoroid impact significance, reliability, performance predictability, and orbiter integration suitability. In support of the foregoing, a materials data base, and platform systems technology development needs were established. An erectable design of an OTV hangar was selected and recommended for further design development. This design was selected from five study-developed competitive single-fold and double-fold designs including hard-shell and inflatable designs. Also, two deployable manned module configurations, i.e., a hard-shell and an inflatable design were each developed to the same requirements as the composite of two Space station baseline habitat modules.

Greenberg, H. S.↗

ECUT: Energy Conversion and Utilization Technologies program. Heterogeneous catalysis modeling program concept

Insufficient theoretical definition of heterogeneous catalysts is the major difficulty confronting industrial suppliers who seek catalyst systems which are more active, selective, and stable than those currently available. In contrast, progress was made in tailoring homogeneous catalysts to specific reactions because more is known about the reaction intermediates promoted and/or stabilized by these catalysts during the course of reaction. However, modeling heterogeneous catalysts on a microscopic scale requires compiling and verifying complex information on reaction intermediates and pathways. This can be achieved by adapting homogeneous catalyzed reaction intermediate species, applying theoretical quantum chemistry and computer technology, and developing a better understanding of heterogeneous catalyst system environments. Research in microscopic reaction modeling is now at a stage where computer modeling, supported by physical experimental verification, could provide information about the dynamics of the reactions that will lead to designing supported catalysts with improved selectivity and stability.

Voecks, G. E.↗

Operational Dynamic Configuration Analysis

Sectors may combine or split within areas of specialization in response to changing traffic patterns. This method of managing capacity and controller workload could be made more flexible by dynamically modifying sector boundaries. Much work has been done on methods for dynamically creating new sector boundaries [1-5]. Many assessments of dynamic configuration methods assume the current day baseline configuration remains fixed [6-7]. A challenging question is how to select a dynamic configuration baseline to assess potential benefits of proposed dynamic configuration concepts. Bloem used operational sector reconfigurations as a baseline [8]. The main difficulty is that operational reconfiguration data is noisy. Reconfigurations often occur frequently to accommodate staff training or breaks, or to complete a more complicated reconfiguration through a rapid sequence of simpler reconfigurations. Gupta quantified a few aspects of airspace boundary changes from this data [9]. Most of these metrics are unique to sector combining operations and not applicable to more flexible dynamic configuration concepts. To better understand what sort of reconfigurations are acceptable or beneficial, more configuration change metrics should be developed and their distribution in current practice should be computed. This paper proposes a method to select a simple sequence of configurations among operational configurations to serve as a dynamic configuration baseline for future dynamic configuration concept assessments. New configuration change metrics are applied to the operational data to establish current day thresholds for these metrics. These thresholds are then corroborated, refined, or dismissed based on airspace practitioner feedback. The dynamic configuration baseline selection method uses a k-means clustering algorithm to select the sequence of configurations and trigger times from a given day of operational sector combination data. The clustering algorithm selects a simplified schedule containing k configurations based on stability score of the sector combinations among the raw operational configurations. In addition, the number of the selected configurations is determined based on balance between accuracy and assessment complexity.

Lai, Chok Fung↗

Tightening polybenzimidazole (PBI) nanostructure via chemical cross-linking for membrane H 2 /CO 2 separation

Membranes that permeate H 2 and reject CO 2 at temperatures above 150 °C are of great interest for low-cost H 2 purification and pre-combustion CO 2 capture. One of the leading polymers for this separation is poly[2,2'-( m -phenylene)-5,5'-bisbenzimidazole] (PBI), which has good thermal stability and high H 2 /CO 2 selectivity. This study, for the first time, demonstrates that H 2 /CO 2 selectivity can be significantly enhanced by chemical cross-linking of PBI in solid state, in distinct contrast with the literature where cross-linking PBI in solutions decreased H 2 /CO 2 selectivity. We prepared a series of cross-linked PBIs by immersing PBI thin films in terephthaloyl chloride solutions for varying times to achieve different degrees of cross-linking, and then systematically investigated the effect of cross-linking on physical properties including gel content, thermal stability, cross-linking density, fractional free volume (FFV) and inter-chain spacing. Gas sorption and pure- and mixed-gas permeation properties were determined at temperatures ranging from 35 to 200 °C. Cross-linking decreased CO 2 sorption and significantly increased H 2 /CO 2 selectivity with a slight decrease in H 2 permeability. For example, after cross-linking of PBI, the H 2 /CO 2 selectivity increased from 15 to 23 while the H 2 permeability decreased from 45 to 39 Barrers at 200 °C. As a result, the performance of this cross-linked PBI surpasses the Robeson's upper bound estimated at 200 °C, indicating its promise for H 2 purification and CO 2 capture.

08 HYDROGEN↗

Physics-informed KNN milling stability model with process damping effects

This paper describes a k-nearest neighbors, or KNN, model for milling stability including process damping effects. A physics-based, frequency domain milling stability solution is used to generate the training data, but does not incorporate process damping effects. The data set is then updated using limited tests to capture the process damping behavior. A “stair step” approach is used to select the test points, where a first spindle speed-axial depth combination is selected based on the physics-based stability map, subsequent tests are defined using the previous test result, and data points are updated by knowledge of process damping behavior and the test results. Furthermore, the KNN modeling approach demonstrates the ability to predict both stable and unstable results, including process damping behavior.

42 ENGINEERING↗

Prevention of Overcurrent and Admissible Voltage Limit Violation in Electrical Network Nodes

In a centralized emergency control system (CECS) with a third-generation algorithm, emergency control actions (CA) are selected under conditions of preventing disruption of dynamic stability, providing the required margin of stability in post-emergency condition, as well as preventing overcurrent and restricting voltage in network nodes to admissible limits. A methodology for selecting CAs for these last two conditions is described.

42 ENGINEERING↗

PdCu Single Atom Alloys for the Selective Oxidation of Methanol to Methyl Formate at Low Temperatures

The selective catalytic oxidation of methanol to methyl formate (MF) has been considered as an attractive route to produce MF, an important precursor in the chemical industry. Although supported Pd nanoparticles are active for the selective oxidation of methanol to MF, the relatively low MF selectivity and yield remains an unsolved issue. Here in this paper, we show that adding a small amount of Pd into Cu forming PdCu single atom alloy (SAA) catalysts can catalyze the oxidation of methanol to MF selectively at low temperatures, with a high catalyst stability. The atomic dispersion of Pd atoms in the Cu matrix was confirmed by various in-situ characterization techniques. The activity and selectivity of PdCu SAA catalysts were compared to monometallic Cu and Pd catalysts, in a flow reactor at similar conditions. This work may guide the design of new SAA based catalysts for selective oxidation reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A long-term pilot-scale algal cultivation on power plant flue gas – Cultivation stability and biomass accumulation

A long-term culture of a selected freshwater microalgal assemblage on power plant flue gas was realized using a pilot-scale photobioreactor. Different culture conditions of light cycle, harvesting amount, pH stabilization, and sulfur addition were tested during a 12-month continuous operation at a natural gas fired power plant. The results concluded that the daily harvesting amount of 60% with no light-cycle and NH 4 NO 3 as the nitrogen source and pH stabilization agent, resulted in optimal cultivation performance. Biomass concentration and biomass productivity reached 1.07 ± 0.23 g L -1 and 0.43 ± 0.14 g L -1 d -1 , respectively. During the year-long cultivation period, the algal assemblage was relatively stable with average abundances of 88 ± 4% and 12 ± 4% for algae and bacteria, respectively, and no significant differences between individual case scenarios. The stable culture fostered a stable biomass composition. Protein, carbohydrate, and lipid contents of the algal biomass were 58.60 ± 2.41%, 19.5 ± 2.44%, and 9.70 ± 1.68%, respectively.

09 BIOMASS FUELS↗

Regulating Gas Transport in Molecularly Engineered Polymer Membranes (Final Technical Report)

Energy-efficient separation processes are essential for a wide range of applications ranging from clean fuels (e.g., hydrogen purification) and petroleum refining (e.g., natural gas processing) to water purification and carbon capture. Membrane-mediated separations have shown tremendous promise in providing high productivity and high separation efficiency at significantly lower energy consumption, e.g., up to 90% less energy cost than traditional thermally driven processes such as distillation. Polymeric membranes–the dominant separation membrane materials–have yet to reach their full potential due to their limitations in long-term durability (e.g., productivity loss over the period of their lifetime due to physical aging) or insufficient stability under harsh conditions (e.g., high temperature, chemically complex feeds). This research seeks to establish a new paradigm in polymer membrane material design by harnessing crosslinked model networks with well-defined yet finely tailorable microstructure to facilitate fast and selective gas transport and simultaneously enhance membrane stability. Unlike traditional randomly crosslinked polymers, which suffer from structural inconsistencies and consequently suboptimal gas separation performance, crosslinked model network membranes prepared via a precisely controlled end-linking process enables the creation of previously unattainable microstructure tunability, which, in turn, results in versatile crosslinked membranes with high separation performance that meet the needs of various challenging gas separations. Using model network framework as a fundamental tool by applying this concept in diverse polymer categories, this work has led to the development of various innovative crosslinked membrane structures such as unimodal, bimodal and clustered model networks. These advanced crosslinked polymer membranes not only demonstrate exceptional gas separation performance that significantly outperform existing randomly crosslinked membranes, but also possess excellent long-term durability and robust stability under complex operating conditions. From a fundamental perspective, results from this research provide critical mechanistic insights into gas separation in crosslinked polymer membranes, addressing key knowledge gaps and opening new avenues for membrane design to meet various separation needs. The new membrane materials produced from this research enable the use of polymeric membranes for high temperature gas separations, offering substantial energy and cost savings by eliminating the need for repeated cooling-heating cycles in industrial processes.

02 PETROLEUM↗

Identifying High-Performance Metal–Organic Frameworks for Low-Temperature Oxygen Recovery from Helium by Computational Screening

Metal–organic frameworks (MOFs) are an important class of porous crystalline materials for applications ranging from gas adsorption and separation to catalysis. There are thousands of potential MOFs available for separation applications. Here, we developed a computational approach to screen MOFs for the separation of oxygen–helium mixtures at low temperatures (100–200 K), conditions that were motivated by issues associated with propulsion in space-based settings. We used detailed molecular simulations for a small number of MOFs to develop screening methods that were then used to estimate the optimum temperatures for separations using pressure swing adsorption for 2932 MOFs from the CoRE MOF database and the swing capacity and oxygen–helium selectivity at these temperatures. We used the stability of the best-performing structures in the presence of moisture as a means to provide a short list of high-performance materials. In addition to identifying specific materials for oxygen–helium separations, this approach could prove useful for selecting adsorbents for other gas separations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A divalent cation-dependent variant of the glmS ribozyme with stringent Ca 2+ selectivity co-opts a preexisting nonspecific metal ion-binding site

Ribozymes use divalent cations for structural stabilization, as catalytic cofactors, or both. Because of the prominent role of Ca 2+ in intracellular signaling, engineered ribozymes with stringent Ca 2+ selectivity would be important in biotechnology. The wild-type glmS ribozyme (glmSWT) requires glucosamine-6-phosphate (GlcN6P) as a catalytic cofactor. Previously, a glmS ribozyme variant with three adenosine mutations (glm SAAA ) was identified, which dispenses with GlcN6P and instead uses, with little selectivity, divalent cations as cofactors for site-specific RNA cleavage. We now report a Ca 2+ -specific ribozyme (glmSCa) evolved from glm SAAA that is >10,000 times more active in Ca 2+ than Mg 2+ , is inactive in even 100 mM Mg2+, and is not responsive to GlcN6P. This stringent selectivity, reminiscent of the protein nuclease from Staphylococcus, allows rapid and selective ribozyme inactivation using a Ca 2+ chelator such as EGTA. Because glmSCa functions in physiologically relevant Ca 2+ concentrations, it can form the basis for intracellular sensors that couple Ca 2+ levels to RNA cleavage. Biochemical analysis of glmSCa reveals that it has co-opted for selective Ca 2+ binding a nonspecific cation-binding site responsible for structural stabilization in glmSWT and glmSAAA. Fine-tuning of the selectivity of the cation site allows repurposing of this preexisting molecular feature.

59 BASIC BIOLOGICAL SCIENCES↗

The Critical Role of Reductive Steps in the Nickel-Catalyzed Hydrogenolysis and Hydrolysis of Aryl Ether C-O Bonds

Hydrogenolysis of the aromatic C-O bond in aryl ethers is catalyzed by Ni in decalin or water at 150 °C. Observations of a significant kinetic isotope effect (kH/kD = 5.7) for the reactions of diphenyl ether under H2 and D2 and a positive dependence of the rate on H2 chemical potential in decalin indicate that addition of H to the aromatic ring is the rate-limiting step rather than C-O scission. Hydrogen addition occurs on the metal before C-O bond scission. DFT calculations indicate that hydrogen atom addition to the ortho position followed by C-O scission is energetically more feasible than C-O scission followed by H addition to either phenoxyl or phenyl moieties. Hydrogenolysis initiated via H addition in water is more selective (~75 %) compared to reactions in decalin (~30 %). The high selectivity for hydrogenolysis is attributed to stabilization of polar transition state by water as a polar solvent.

Wang, Meng↗

Technical Routes to Achieve High Circular Polarized Luminescence in Chiral Perovskites: A Mini‐Review

Chiral hybrid organic-inorganic perovskites (HOIPs) have emerged as promising materials for optoelectronic and spintronic applications, leveraging unique properties such as circularly polarized luminescence (CPL), circularly polarized nonlinear optical (NLO) emission, and chiral-induced spin selectivity (CISS). However, challenges remain in stabilizing these materials under environmental stresses and precisely controlling chirality for scalable use. This review summarizes five main strategies to induce chirality in HOIPs, i.e., direct incorporation of chiral cations, surface modification with chiral ligands, ion doping, template-induced chirality, and chiral metasurfaces. Each approach offers distinct advantages for optimizing CPL efficiency and device stability, paving the way for next-generation applications in CPL detectors, information encryption, spintronic devices, etc.

14 SOLAR ENERGY↗

Importance of Size and Distribution of Ni Nanoparticles for the Hydrodeoxygenation of Microalgae Oil

Improved synthetic approaches for preparing small-sized Ni nanoparticles (d=3 nm) supported on HBEA zeolite have been explored and compared with the traditional impregnation method. The formation of surface nickel silicate/aluminate involved in the two precipitation processes are inferred to lead to the stronger interaction between the metal and the support. The lower Brønsted acid concentrations of these two Ni/HBEA catalysts compared with the parent zeolite caused by the partial exchange of Brønsted acid sites by Ni2+ cations do not influence the hydrodeoxygenation rates, but alter the product selectivity. Higher initial rates and higher stability have been achieved with these optimized catalysts for the hydrodeoxygenation of stearic acid and microalgae oil. Small metal particles facilitate high initial catalytic activity in the fresh sample and size uniformity ensures high catalyst stability.

biomass↗

Oxidative Dehydrogenation of Ethane: A Chemical Looping Approach

The current study investigates a chemical-looping-based oxidative dehydrogenation (CL-ODH) concept for ethane-to-ethylene conversion. In this cyclic redox scheme, an oxide-based redox catalyst is used to selectively combust hydrogen from ethane dehydrogenation. As the hydrogen product limits ethane conversion, in situ oxidation of hydrogen enhances the ethane conversion and ethylene yield. Moreover, heat required in ODH is compensated by re-oxidation of the oxygen-deprived redox catalyst, enabling auto-thermal operation for the overall process. Compared to steam cracking, CL-ODH can potentially achieve higher efficiency with lower CO 2 and NO x emissions. Silica and magnesia-supported manganese oxides are investigated. It is determined that unpromoted Mn/SiO 2 and Mn/MgO redox catalysts exhibit low selectivity towards ethylene. The addition of promoters such as sodium and tungsten renders effective redox catalysts with satisfactory activity, selectivity, oxygen carrying capacity, and redox stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Noise-aware optimization in nominally identical manufacturing and measuring systems for high-throughput parallel workflows

Device-to-device variability in experimental noise critically impacts reproducibility, especially in automated, high-throughput systems like additive manufacturing farms. While manageable in small labs, such variability can escalate into serious risks at larger scales, such as architectural 3D printing, where noise may cause structural or economic failures. This contribution presents a noise-aware decision-making algorithm that quantifies and models device-specific noise profiles to manage variability adaptively. It uses distributional analysis and pairwise divergence metrics with clustering to choose between single-device and robust multi-device Bayesian optimization strategies. Unlike conventional methods that assume homogeneous devices or enforce generic robustness, the proposed framework explicitly determines whether shared optimization across devices is appropriate based on the degree of inter-device noise heterogeneity. This enables improved performance, reproducibility, and efficiency. An experimental case study involving three nominally identical 3D printers (same brand, model, and close serial numbers) demonstrates reduced redundancy, lower resource usage, and improved reliability, along with improved convergence stability and solution quality through the selection of the appropriate optimization strategy based on the degree of inter-device noise heterogeneity. Overall, this framework establishes a general approach for precision- and resource-aware optimization in scalable, automated experimental platforms, demonstrated here on a representative multi-device 3D printing case study.

Schenk, Christina↗

Engineered antibody CH2 domains binding to nucleolin: Isolation, characterization and improvement of aggregation

Smaller recombinant antibody fragments are now emerging as alternatives of conventional antibodies. Especially, immunoglobulin (Ig) constant CH2 domain and engineered CH2 with improved stability are promising as scaffolds for selection of specific binders to various antigens. We constructed a yeast display library based on an engineered human IgG1 CH2 scaffold with diversified loop regions. A group of CH2 binders were isolated from this yeast display library by panning against nucleolin, which is a tumor-associated antigen involved in cell proliferation, tumor cell growth and angiogenesis. Out of 20 mutants, we selected 3 clones exhibiting relatively high affinities to nucleolin on yeasts. However, recombinant CH2 mutants aggregated when they were expressed. To find the mechanism of the aggregation, we employed computational prediction approaches through structural homology models of CH2 binders. The analysis of potential aggregation prone regions (APRs) and solvent accessible surface areas (ASAs) indicated two hydrophobic residues, Val{sub 264} and Leu{sub 309}, in the β-sheet, in which replacement of both charged residues led to significant decrease of the protein aggregation. The newly identified CH2 binders could be improved to use as candidate therapeutics or research reagents in the future. - Highlights: • Novel engineered CH2 domains to nucleolin were identified from the yeast display CH2-based library. • Aggregation prone regions (APRs) were predicted through structural homology models CH2 domains. • The replacement of two hydrophobic residues in APRs significantly led to decrease of the CH2 aggregation.

60 APPLIED LIFE SCIENCES↗