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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 289 records · Page 16

From Cryogenic to High Temperatures: A Microstructural Evolution of δ-phase Pu-Ga Alloys Investigated by Time-of-Flight High-resolution Neutron Diffraction

Phase stability and phase transformations in binary Pu alloys are critical for multiple applications. Long-term phase stability affects mechanical properties, microstructure, corrosion behavior, and structural integrity. A clear and detailed understanding of phase transformations and phase stability mechanisms is necessary to assess the behavior and response to unexpected stimuli. Gaining advanced knowledge on the behavior of Pu and Pu alloys at a variety of temperatures, pressures, and time will ensure better predictions and control on evolution outside laboratory measurements.

36 MATERIALS SCIENCE↗

Introducing metal–sulfur active sites in metal–organic frameworks via post-synthetic modification for hydrogenation catalysis

Metal–sulfur active sites play a central role in catalytic processes such as hydrogenation and dehydrogenation, yet the majority of active sites in these compounds reside on the surfaces and edges of catalyst particles, limiting overall efficiency. Here we present a strategy to embed metal–sulfur active sites into metal–organic frameworks (MOFs) by converting bridging or terminal chloride ligands into hydroxide and subsequently into sulfide groups through post-synthetic modification. We apply this method to two representative MOF families: one featuring one-dimensional metal–chloride chains and another containing discrete multinuclear metal clusters. Crystallographic and spectroscopic analyses confirm structural integrity and sulfide incorporation, and the transformation is monitored by in situ total scattering methods. The sulfided MOFs display enhanced catalytic activity in the selective hydrogenation of nitroarenes using molecular hydrogen. Density functional theory calculations indicate that sulfur incorporation promotes homolytic metal–ligand bond cleavage and facilitates H 2 activation. This work establishes an approach to construct MOFs featuring accessible metal–sulfide sites.

Catalyst synthesis↗

Effects of 9.5 years warming on SOC concentration and composition in bulk soil and density fractions

Original data of whole-soil warming experiment after 9.5 years at Blodgett Forest Research Station. The Blodgett Forest is a mixed coniferous temperate forest with Mediterranean climate. The annual air temperature is 12.5℃ and the annual precipitation is 1774 mm yr-1- The soil is mesic ultic Alfisol of granitic origin, equivalent to Dystric Cambisol according to The World Reference Base for Soil Resources (WRB) system. The soil is warmed down to 1 m at + 4℃ by vertically installed heating cables. At the time of soil sampling on 1 May 2023, the whole-soil warming experiment had been running for approximately 9.5 years, from January 2014 to May 2023. The dataset includes: - Bulk_EA: C, N content, δ13C, and CN ratio of bulk soil; - Density_fractionation: organic carbon concentration, δ13C, and C/N ratio of free light fraction (fLF), occluded ligh fraction (oLF), and heavy fraction (HF); - PCA_DRIFT_AUC: original data of area under the curve (AUC) values of eight carbon bond types integrated on diffuse reflectance infrared fourier transform spectroscopy for each soil sample and soil fraction, which are consequently used for principal component analysis (PCA); - DRIFTS_stability_index: the calculation of aliphatic C–H (3000–2800 cm-1) to aromatic C=C (1670–1600 cm-1) ratios for each bulk soil sample and soil fraction. All data are provided in CSV format and can be viewed using Microsoft Excel.

Climate change↗

Distributed IELI, Rebuilding IELI for Scalability

IELI is an NLP-based system designed to transform text into structured knowledge graphs, integrate domain-specific ontologies, and answer conceptual logic-based queries. This poster talks about how redesigning IELI can help address scalability and modularity challenges, as well as improving responsiveness and health monitoring of the system.

Trejo, Edwin Horacio [Sandia National Laboratories↗

Hydrological connectivity: a review and emerging strategies for integrating measurement, modeling, and management

This review synthesizes methods for measuring, modeling, and managing hydrologic connectivity, offering pathways to improve practices and address environmental challenges (e.g., climate change) and sustainability. As a key driver of water movement and nutrient cycling, hydrologic connectivity influences flood mitigation, water quality regulation, and biodiversity conservation. However, traditional field-based methods (e.g., dye tracing), indirect measurements (e.g., runoff analysis), and remote sensing techniques (e.g., InSAR) often struggle to capture the complexity of catchment-scale interactions. Similarly, modeling approaches—including process-based and percolation theory-based models, graph theory, and entropy-based metrics—face limitations in fully representing these interconnected processes. Both modeling and measurement techniques are constrained by inadequate spatial and temporal coverage, high data demands, computational complexity, and difficulties in representing subsurface connectivity. Subsequently, we critique current management practices that prioritize isolated variables (e.g., streamflow, sediment transport) over system-wide strategies and emphasize the need for adaptive, connectivity-based approaches in water resource planning and restoration. Moving forward, we highlight the importance of interdisciplinary collaboration, technological innovations (e.g., AI-driven modeling, real-time monitoring), and integrated frameworks to improve connectivity measurement, modeling, and adaptive management to restore fragmented hydrologic networks. This integrated approach sets the stage for transformative water resource management, fostering proactive policy development and stakeholder engagement.

Dwivedi, Dipankar↗

The Improvement of Efficiency in the Numerical Computation of Orbit Trajectories

An analysis, system design, programming, and evaluation of results are described for numerical computation of orbit trajectories. Evaluation of generalized methods, interaction of different formulations for satellite motion, transformation of equations of motion and integrator loads, and development of efficient integrators are also considered.

Dyer, J.↗

Orientation of the moon by numerical integration

The differential equations of rotational motion of the moon are solved by numerical integration methods. Euler's dynamical equations transformed to a convenient form are treated by techniques analogous to ordinary orbit determination procedures. The proposed method is fully consistent with the ephemeris of the moon and can utilize a variety of observational material for the solution of the selected parameters. Examples are given of comparison between the proposed method and Eckhardt's 1970 model of the physical librations of the moon. The merits of the new method are discussed in the light of conventional data sources like earth-based or satellite-based photography as well as newly available data types like laser ranging to retroreflectors on the moon.

Papo, H. B.↗

A laser tomographic investigation of liquid fuel sprays

A light scattering technique is combined with a tomographic transformation to convert line of sight integrated data, measured in sprays, to measurements of droplet size and concentration in volume elements within the spray. The technique is developed and assessed by systematic experiments in axisymmetric sprays generated by twin-fluid atomisers. The good agreement found shows that, provided certain conditions are satisfied by the local spray structure, the technique provides information on spray structure, similar in detail and extent to that derived by photography, but with reduced experimental time. The technique is applied to an investigation of a kerosene spray vaporizing in a hot gas stream.

Yule, A. J.↗

The elliptic anomaly

An independent variable different from the time for elliptic orbit integration is used. Such a time transformation provides an analytical step-size regulation along the orbit. An intermediate anomaly (an anomaly intermediate between the eccentric and the true anomaly) is suggested for optimum performances. A particular case of an intermediate anomaly (the elliptic anomaly) is defined, and its relation with the other anomalies is developed.

Janin, G.↗

Methodology for testing and validating knowledge bases

A test and validation toolset developed for artificial intelligence programs is described. The basic premises of this method are: (1) knowledge bases have a strongly declarative character and represent mostly structural information about different domains, (2) the conditions for integrity, consistency, and correctness can be transformed into structural properties of knowledge bases, and (3) structural information and structural properties can be uniformly represented by graphs and checked by graph algorithms. The interactive test and validation environment have been implemented on a SUN workstation.

Krishnamurthy, C.↗

Rdesign: A data dictionary with relational database design capabilities in Ada

Data Dictionary is defined to be the set of all data attributes, which describe data objects in terms of their intrinsic attributes, such as name, type, size, format and definition. It is recognized as the data base for the Information Resource Management, to facilitate understanding and communication about the relationship between systems applications and systems data usage and to help assist in achieving data independence by permitting systems applications to access data knowledge of the location or storage characteristics of the data in the system. A research and development effort to use Ada has produced a data dictionary with data base design capabilities. This project supports data specification and analysis and offers a choice of the relational, network, and hierarchical model for logical data based design. It provides a highly integrated set of analysis and design transformation tools which range from templates for data element definition, spreadsheet for defining functional dependencies, normalization, to logical design generator.

Lekkos, Anthony A.↗

Solution of multi-center molecular integrals of Slater-type orbitals

The troublesome multi-center molecular integrals of Slater-type orbitals (STO) in molecular physics calculations can be evaluated by using the Fourier transform and proper coupling of the two center exchange integrals. A numerical integration procedure is then readily rendered to the final expression in which the integrand consists of well known special functions of arguments containing the geometrical arrangement of the nuclear centers and the exponents of the atomic orbitals. A practical procedure was devised for the calculation of a general multi-center molecular integrals coupling arbitrary Slater-type orbitals. Symmetry relations and asymptotic conditions are discussed. Explicit expressions of three-center one-electron nuclear-attraction integrals and four-center two-electron repulsion integrals for STO of principal quantum number n=2 are listed. A few numerical results are given for the purpose of comparison.

Tai, H.↗

The U.S. Sarsat geosynchronous experiment - Ground processor description and test results

The development of a specialized digital signal processor, the Geosynchronous Signal Processor (GSP), for short beacon burst signal detection and demodulation is described. The processing is based on fast Fourier Transform techniques for detection and message integration on the respective message bursts for demodulation. The GSP is based on array processor technology; it is designed to yield an ultimate capacity of 50-75 simultaneous beacon transmissions within the nominal 20 KHz bandwidth centered at 406.025 MHz.

Flikkema, P. G.↗

Integration of airborne Thematic Mapper Simulator (TMS) data and digitized aerial photography via an ISH transformation

A simple method for enhancing the spatial and spectral resolution of disparate data sets is presented. Two data sets, digitized aerial photography at a nominal spatial resolution 3,7 meters and TMS digital data at 24.6 meters, were coregistered through a bilinear interpolation to solve the problem of blocky pixel groups resulting from rectification expansion. The two data sets were then subjected to intensity-saturation-hue (ISH) transformations in order to 'blend' the high-spatial-resolution (3.7 m) digitized RC-10 photography with the high spectral (12-bands) and lower spatial (24.6 m) resolution TMS digital data. The resultant merged products make it possible to perform large-scale mapping, ease photointerpretation, and can be derived for any of the 12 available TMS spectral bands.

Ambrosia, Vincent G.↗

Computational Simulation of Damage Propagation in Three-Dimensional Woven Composites

Three dimensional (3D) woven composites have demonstrated multi-directional properties and improved transverse strength, impact resistance, and shear characteristics. The objective of this research is to develop a new model for predicting the elastic constants, hygrothermal effects, thermomechanical response, and stress limits of 3D woven composites; and to develop a computational tool to facilitate the evaluation of 3D woven composite structures with regard to damage tolerance and durability. Fiber orientations of weave and braid patterns are defined with reference to composite structural coordinates. Orthotropic ply properties and stress limits computed via micromechanics are transformed to composite structural coordinates and integrated to obtain the 3D properties. The various stages of degradation, from damage initiation to collapse of structures, in the 3D woven structures are simulated for the first time. Three dimensional woven composite specimens with various woven patterns under different loading conditions, such as tension, compression, bending, and shear are simulated in the validation process of this research. Damage initiation, growth, accumulation, and propagation to fracture are included in these simulations.

Huang, Dade↗

A 294 GHz 0.47m W Caterpillar amplifier based transmitter in 65 nm CMOS for THz data-links

A fully integrated CMOS THz transmitter for short range data-links is presented which provides 0.47 mW of output power to 294 GHz. The output frequency is derived from a 147 GHz on-chip LO and fully differential caterpillar power amplifier combined with a transformer coupled frequency doubler. The transmitter is integrated with an on-chip dipole antenna for use in THz communication systems and consumes a total of 258 mW.

Chang, Mau-Chung Frank↗

Harnessing photoenzymatic reactions for unnatural biosynthesis in microorganisms

Photobiocatalysis provides a powerful strategy for integrating light and biological catalysts to drive abiological transformations. However, its scalability is hindered by high enzyme loading, reliance on costly cofactors and instability under radical-generating conditions. Here we report the integration of light-driven enzymatic reactions into the cellular metabolism of Escherichia coli, bridging flavin-based photobiocatalysis with biosynthesis. Using synthetic biology strategies, we engineered microbial cells to continuously produce olefin substrates and ene-reductase while regenerating cofactors directly from glucose. By externally supplying radical precursors or introducing synthetic pathways for their in situ production, we enabled fermentation-based microbial photobiosynthesis, achieving high titres and demonstrating feasibility for scale-up in a bioreactor. This approach extends photobiocatalysis from in vitro applications to in vivo semi- and complete biosynthesis, revealing its full potential for integrating light-driven reactions into cellular metabolism.

Biocatalysis↗

Evaluation of Near Singular Integrals for Computational Electromagnetics by Dimensionality Reduction

With the need for ever faster codes, a limiting factor that must be dealt with is the accurate yet efficient evaluation of interaction integrals between the more problematic near-field elements. Several recent works have together shown that all evaluations of source potential integrals and their derivatives for the most common bases and elements can be reduced to the evaluation of boundary line integrals; these can be evaluated by Gauss-Legendre quadrature, though integrand-smoothing transforms are often needed to accelerate their computation. In this paper, we modify the reported approach to eliminate cancellation errors in the line integral integrand, reinterpret the integral as a vertex function, and study the scalar potential integral form under the sinh transform and static subtraction acceleration methods.

D R Wilton↗