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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Determination of Thiol Protonation States by Sulfur X-ray Spectroscopy in Biological Systems

Cysteine is one of the most functionally diverse of the proteinogenic amino acids, owing to its reactive thiol side chain that can undergo deprotonation to form a strongly nucleophilic thiolate. However, few techniques can directly interrogate sulfur charge and covalency in cysteine, particularly in proteins. X-ray spectroscopies provide an element specific probe of sulfur. We demonstrate the sensitivity of S Kβ and Kα X-ray emission spectroscopy (XES) to cysteine ionization and compare it to S K-edge X-ray absorption spectroscopy (XAS) in the physiologically relevant biomolecules l-cysteine and N-acetyl-l-cysteine at room temperature in solution phase. Kβ XES and K-edge XAS are most sensitive to chemical changes at the cysteine thiol and can be used to evaluate the composition of thiol/thiolate mixtures. Furthermore, these results provide a foundation for assessing the pK a of functionally significant cysteine residues in proteins and open the door to time-resolved studies of cysteine-dependent enzymes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

ATR-SEIRAS Reveals Potential Inversion and Associated Electron Transfer Kinetics in the Reduction of Surface-Confined Anthraquinone

The detection of stable semiquinone radicals on an anthraquinone (AQ) layer chemically grafted to an electrode surface in aqueous electrolytes has been elucidated by using attenuated total reflection surface enhanced infrared absorption spectroscopy (ATR-SEIRAS). In very alkaline conditions (pH 13), the reduction of the AQ involves no proton transfer, but surface sensitive infrared spectroscopy reveals that the anthraquinone dianion forms a strong hydrogen bonding network with coadsorbed water, leading to irreversible features in the voltammetry. The potential dependence of the IR band assigned to the AQ radical is consistent with the enhanced hydrogen bonding network causing increased stabilization of the quinone radical and supports the predicted response of a system under mild potential inversion, whereby the formal potential for the reduction of the anthraquinone radical is positive of the reduction potential of the neutral AQ molecule. Time-resolved ATR-SEIRAS is used to measure the transient formation of the AQ •– radical, from which rate constant information can be extracted using the Butler–Volmer model involving two one-electron transfers without a direct disproportionation reaction. The potential dependence of the rate constants is consistent with the potential inversion and can be used to qualitatively simulate the measured cyclic voltammograms. In conclusion, the thermodynamic and kinetic analyses re-emphasize long established deficiencies associated with using one-electron reaction formalisms to characterize multi-electron systems.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗
DOE OSTI2026

Pressure-induced 𝐵⁢1 to 𝐵⁢2 phase transition in CeN studied by 𝑎⁢𝑏 𝑖⁢𝑛⁢𝑖⁢𝑡⁢𝑖⁢𝑜 correlation matrix renormalization theory calculations

We apply correlation matrix renormalization theory (CMRT) to cerium nitride (CeN) under pressure. For 𝐵⁢1 (NaCl-type) phase, CMRT gives an equation of state consistent with ambient pressure experiments. It produces electronic density-of-state (DOS) characterized by a sharp 4⁢𝑓 quasiparticle resonance peak pinned at the Fermi level and two subbands formed by strong hybridization between the localized Ce-4⁢𝑓 electrons and the itinerant Ce-5⁢𝑑 and N-2⁢𝑝 electrons below the Fermi level, consistent with x-ray photoemission spectroscopy experiments. Upon compression, CMRT predicts a first-order 𝐵⁢1 → 𝐵⁢2 (CsCl-type) transition with ∼11% volume collapse in agreement with experiments. Across the transition, the 4⁢𝑓 spectrum broadens, the 4⁢𝑓 orbital occupancy increases, and the hybridization with conduction states enhances, signaling a crossover from partially localized to more itinerant 4⁢𝑓 behavior. Furthermore, these features are in excellent agreement with experimental observations, demonstrating that CMRT provides a parameter-free description and prediction of correlation-driven structural and electronic transitions in rare-earth compounds.

Ab initio calculations↗
DOE OSTI2026

Boron Coordination in Multicomponent Glasses: Analytical Models and Machine Learning With Uncertainty

Borosilicate glasses are extensively used in a variety of applications from kitchenware to nuclear waste immobilization due to the strong network formed by the Si-O-B bond that makes it resistant to chemical corrosion and gives it a low thermal expansion. Boron, however, exists in both trigonal BO3 and tetrahedral BO4 bonds in glass systems, which impacts the chemical durability and thermal resistance of the glass, amongst other properties. Boron coordination (N4), or the ratio of the amount of BO4 to BO3 within a glass, may aid in predicting these properties but is difficult to derive without experimental data due to the complexity of impacts from varied glass compositions and processing factors. For this reason, compositional models have been developed to predict boron coordination, but the models typically include a limited number of glass components. To help fill this gap in the models, in this work, a diverse multicomponent glass dataset of 809 glasses is compiled from a literature search, and then a number of analytical and machine learning (ML) models are trained on the dataset. Previously developed modified Bernstein and modified Du Stebbins analytical models were fitted to update parameters with the new dataset. Then, partially Bayesian neural networks, Gaussian process regressor, and heteroskedastic deterministic neural networks were evaluated. The ML models examined all have different strategies to overcome the potential for overfitting as a result of a limited training dataset, and return results that account for model uncertainty, which can be valuable for understanding model reliability. For the first time, cooling rate is introduced as an input parameter for ML models, showing consistent improvements in performance and solidifying the importance of including parameters outside of composition alone for N4 prediction. The machine learning models examined here show promise in accurate predictions of boron coordination in borosilicate glasses, all achieving R2 values of 0.91.

boron coordination↗
DOE OSTI2026

Time-, space-, and molecule-resolved multiple plasma reactive species in complex settings using an innovative approach of cavity ringdown spectroscopy (Project Final Report)

The primary research goal of this 2-year project is to demonstrate the feasibility of an innovative approach to measure reactive plasma species in the most challenging settings: right on the surface of water and under water. We propose to use the Brewster angle-cavity ringdown spextroscopy (BA-CRDS). Research objectives include: 1) Measurements of OH and NO in the plasma gas-phase zone (Z1) using different types of LTP sources including continuous and pulsed plasma jets, sheets, torches, etc. 2) Measurements of OH and NO in the multiphase reaction zones, right on the surface of water (Z2) and under water (Z3). 3) RS formation and loss mechanisms and reaction dynamics in the three zones. 4) Generalization of the proposed system to be configurable with other selected innovative techniques for other LTP parameters; invitation of selected PIs to form a strong collaborative team to pursue the follow-up effort (Category-2).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Organic Rankine Cycle Integration and Optimization for High Efficiency CHP Genset Systems (Final Technical Report)

This project successfully advanced the integration of Organic Rankine Cycle (ORC) technology with reciprocating engine–based combined heat and power (CHP) systems to improve electrical efficiency, total CHP efficiency, and grid-responsive operation. Over three budget periods, the work progressed from high-temperature ORC component development and thermodynamic model validation to next-generation system design, working fluid transition, and techno-economic analysis. Key technical accomplishments include development and validation of a thermodynamic model capable of accurately predicting ORC performance across an expanded temperature and pressure envelope; successful identification and validation of low-global-warming-potential (GWP) working fluids—most notably R1233zd(E)—as viable replacements for R245fa; and demonstration of scalable ORC architectures suitable for integration with 1–20 MW class reciprocating engines. These advances enable flexible CHP configurations that can increase electrical output while maintaining high overall utilization of available thermal energy. The project also produced a clean-sheet design for a next-generation ORC system targeting substantially higher power output per unit, supported by detailed component selection, heat exchanger evaluation, and system-level modeling. Techno-economic analyses indicate that ORC-enabled flexible CHP systems can meet or exceed Department of Energy (DOE) efficiency targets while providing value to both facility operators and the electric grid.. Late-stage testing of the largest next-generation ORC prototype identified limitations related to pump net positive suction head (NPSH) requirements and condenser flooding under certain operating conditions. Although these issues constrained full validation of that configuration within the project timeframe, they provided clear and actionable design guidance for future system refinements. Importantly, validated modeling, smaller-scale testing, and working fluid evaluations confirmed the technical viability of the overall approach. In aggregate, this project met its core objectives by establishing validated design tools, de-risking key ORC technologies for CHP applications, and defining a credible pathway toward commercialization of flexible, high-efficiency CHP systems. The results form a strong foundation for continued development and deployment beyond the conclusion of the DOE-funded effort.

20 FOSSIL-FUELED POWER PLANTS↗
NASA NTRS1965

Development of high temperature nickel-base alloys for jet engine turbine bucket applications

A program has been initiated to develop a material with superior properties at elevated temperatures for utilization in turbine blade applications. A nickel-base superalloy can provide the necessary high temperature strength by using the maximum capability of the three available strengthening mechanisms - intermetallic gamma prime precipitation (Ni3Al), solid solution strengthening with refractory and precious metals, and stable carbide formations through the addition of strong carbide forming elements. A stress rupture test at 2000 deg F and 15,000 psi was formulated to approximate the desired properties. By adding varying amounts of refractory metals (Mo, W and Ta) it was possible to statistically analyze the effects of each in a basic superalloy composition containing fixed amounts of Co, Cr, C, B, Sr, and Ni at three separate levels of AL and Ta. Metallographic analysis correlated with the mechanical properties of the alloys; those with few strengthening phases were weak and ductile and those with excessive amounts of intermetallic phases present in undesirable morphologies were brittle.

SUPERALLOY↗
NASA NTRS1971

A research on integrated-circuit sensors for gas chromatography

Fabrication of a miniature gas chromatograph column using integrated circuit technology was studied and found to be feasible. A bonding problem of forming a strong, gas tight seal between two wafers of silicon has prevented the completion of the column design. Continuing research using tin or a chromium-gold bond promises to overcome the problems of using the proposed gold-eutectic bond. Specifications for the miniature gas chromatograph column are: a spiral capillary column of semi-circular cross section, 30 micron radius, and a total length of 6.9 meters etched into a silicon structure 50 mm in diameter and 0.625 mm thick.

Source record↗
NASA NTRS1972

Major element composition of Luna 20 glasses.

Ten per cent of the 50 to 150-micron size fraction of Luna 20 soil is glass. A random suite of 270 of these glasses has been analyzed by electron microprobe techniques. The major glass type forms a strong cluster around a mean value corresponding to Highland basalt (anorthositic gabbro) with 70% normative feldspar. Minor glass groups have the compositions of mare basalts and of low-K Fra Mauro type basalts. The glass data indicate that Highland basalt is the major rock type in the highlands north of Mare Fecunditatis.

Warner, J.↗
NASA NTRS1972

Extreme-ultraviolet emission from solar prominences.

Spectra and spectroheliograms of prominences have been obtained at wavelengths of 300 to 1400 A from instruments aboard the OSO 4 and OSO 6 spacecraft. Quiescent prominences appear in emission above the limb for all strong lines formed at temperatures below 300,000 K, but not at higher temperatures. The gas pressure in the 100,000-K transition zone around prominences is approximately equal to that in the cooler (6500 K) central regions. The temperature and the hydrogen ground-state departure coefficient in the central regions are determined from the Lyman-continuum spectrum. Prominences on the disk (filaments) are visible in absorption in many lines, especially those at wavelengths below the hydrogen Lyman limit at 912 A.

Noyes, R. W.↗
NASA NTRS1974

Magnetic fields of Mars and Venus - Solar wind interactions

Recent USSR studies of the magnetic field and solar wind flow in the vicinity of Mars and Venus confirm earlier U.S. reports of a bow shock wave developed as the solar wind interacts with these planets. Mars 2 and 3 magnetometer experiments report the existence of an intrinsic planetary magnetic field, sufficiently strong to form a magnetopause, deflecting the solar wind around the planet and its ionosphere. This is in contrast to the case for Venus, where it is assumed to be the ionosphere and processes therein which are responsible for the solar wind deflection. An empirical relationship appears to exist between planetary dipole magnetic moments and their angular momentum for the Moon, Mars, Venus, Earth, and Jupiter. Implications for the magnetic fields of Mercury and Saturn are discussed.

Ness, N. F.↗
NASA NTRS1977

Single mode CO2 laser frequency modulation up to 350 MHz

Experiments on internal frequency modulation (FM) of a CO2 laser showed no limitation of FM by the linewidth. However, distortions in the form of strong enhancement of sideband amplitude arise for frequencies equal to the cavity resonant frequencies, most pronounced if the modulator is positioned near a cavity mirror.

Leeb, W. R.↗
NASA NTRS1982

New Method For Joining Stainless Steel to Titanium

In new process, edge of stainless-steel sheet is perforated, and joined to titanium by resistance seam welding. Titanium flows into perforations, forming a strong interlocking joint. Process creates a quasi-metallurgical bond between the thin sheets of stainless steel and titanium.

Emanuel, W. H.↗
NASA NTRS1983

An experimental investigation of the internal methane pressure in hydrogen attack

An experimental investigation of the internal methane pressure that is the driving force for bubble growth in hydrogen attack (HA) was done on pure iron (204 ppm C) and on two low carbon steels of slightly different compositions. The methane content N (c.c gas/g. material) in attacked specimens was measured by a vacuum extraction technique. The total void volume V (c.c) was determined from density measurements before and after HA exposure. The two values, N and V, were then used in an equation of state to calculate an average methane pressure P for the attack stages beyond a density loss (d.l.) greater than 0.05 pct. It was determined that N and P depend on hydrogen exposure conditions and the presence of traces of strong carbide forming alloying elements (in steel). They are independent of specimen size and grain size over a limited range. P varies as the bubble volume increases, showing a generally decreasing trend which brings it to values lower than calculated equilibrium pressures, although well within the same order of magnitude. Possible reasons for this behavior are discussed.

Natan, M.↗
NASA NTRS1984

Hot melt adhesive attachment pad

A hot melt adhesive attachment pad for releasably securing distinct elements together is described which is particularly useful in the construction industry or a spatial vacuum environment. The attachment pad consists primarily of a cloth selectively impregnated with a charge of hot melt adhesive, a thermo-foil heater, and a thermo-cooler. These components are securely mounted in a mounting assembly. In operation, the operator activates the heating cycle transforming the hot melt adhesive to a substantially liquid state, positions the pad against the attachment surface, and activates the cooling cycle solidifying the adhesive and forming a strong, releasable bond.

Fox, R. L.↗
NASA NTRS1986

Onset of surface-tension-driven Benard convection

An experimental investigation of the onset of convection in shallow fluid layers heated uniformly from below and cooled from above by an air layer has been made. If the depth of the silicone layer is smaller than 2 mm the onset of convection takes place in two stages. There is first a weak pattern, which is characterized by its appearance at ever smaller temperature gradients as the depth of the fluid is decreased. When the temperature difference across the fluid is increased a second strong pattern forms near the predicted critical Marangoni number. The cells in this pattern are hexagonal and seem to be what one has always referred to as Benard cells. The temperature gradient at which this pattern appears increases with decreased depth. The heat transfer through the fluid has been measured. The critical temperature gradient for the formation of the hexagonal pattern has been determined from the break of the heat transfer curve.

Koschmieder, E. L.↗
NASA NTRS1986

Euler calculations for rotor configurations in unsteady forward flight

A solution procedure is presented for the lifting transonic flow past modern rotor configurations in forward flight. In this procedure, the three-dimensional, unsteady Euler equations are solved in strong conservation form on a body-fitted moving coordinate system. A hybrid procedure of second order spatial accuracy and first order temporal accuracy is used to integrate the governing equations. In lifting flows, the effect of the elements of wake not captured by the computational procedure, and other aeroelastic effects are accounted for as local angle of attack corrections. Detailed comparisons with experimental data are presented for a 1/7 scale model of the Cobra OLS rotor, and for a three-bladed rotor tested in France. Some preliminary results are also presented for a three-dimensional blade vortex interaction problem.

Sankar, L. N.↗
NASA NTRS1989

Transonic Navier-Stokes solutions of three-dimensional afterbody flows

The performance of a three-dimensional Navier-Stokes solution technique in predicting the transonic flow past a nonaxisymmetric nozzle was investigated. The investigation was conducted at free-stream Mach numbers ranging from 0.60 to 0.94 and an angle of attack of 0 degrees. The numerical solution procedure employs the three-dimensional, unsteady, Reynolds-averaged Navier-Stokes equations written in strong conservation form, a thin layer assumption, and the Baldwin-Lomax turbulence model. The equations are solved by using the finite-volume principle in conjunction with an approximately factored upwind-biased numerical algorithm. In the numerical procedure, the jet exhaust is represented by a solid sting. Wind-tunnel data with the jet exhaust simulated by high pressure air were also obtained to compare with the numerical calculations.

Compton, William B., III↗