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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Kinetic dissection of individual steps in the poly(C)-directed oligoguanylate synthesis from guanosine 5'-monophosphate 2-methylimidazolide

A kinetic study of oligoguanylate synthesis on a polycytidylate template, poly(C), as a function of the concentration of the activated monomer, guanosine 5'-monophosphate 2-methylimidazolide, 2-MeImpG, is reported. Reactions were run with 0.005-0.045 M 2-MeImpG in the presence of 0.05 M poly(C) at 23 degrees C. The kinetic results are consistent with a reaction scheme (eq 1) that consists of a series of consecutive steps, each step representing the addition of one molecule of 2-MeImpG to the growing oligomer. This scheme allows the calculation of second-order rate constants for every step by analyzing the time-dependent growth of each oligomer. Computer simulations of the course of reaction based on the determined rate constants and eq 1 are in excellent agreement with the product distributions seen in the HPLC profiles. In accord with an earlier study (Fakhrai, H.; Inoue, T.; Orgel, L. E. Tetrahedron 1984, 40, 39), rate constants, ki, for the formation of the tetramer and longer oligomers up to the 16-mer were found to be independent of length and somewhat higher than k3 (formation of trimer), which in turn is much higher than k2 (formation of dimer). The ki (i > or = 4), k3, and k2 values are not true second-order rate constants but vary with monomer concentration. Mechanistic models for the dimerization (Scheme I) and elongation reactions (Scheme II) are proposed that are consistent with our results. These models take into account that the monomer associates with the template in a cooperative manner. Our kinetic analysis allowed the determination of rate constants for the elementary processes of covalent bond formation between two monomers (dimerization) and between an oligomer and a monomer (elongation) on the template. A major conclusion from our study is that bond formation between two monomer units or between a primer and a monomer is assisted by the presence of additional next-neighbor monomer units. This is consistent with recent findings with hairpin oligonucleotides (Wu, T.; Orgel, L. E. J. Am. Chem. Soc. 1992, 114, 317). Our study is the first of its kind that shows the feasibility of a thorough kinetic analysis of a template-directed oligomerization and provides a detailed mechanistic model of these reactions.

Non-NASA Center↗
NASA NTRS1990

Limiting concentrations of activated mononucleotides necessary for poly(C)-directed elongation of oligoguanylates

Selected imidazolide-activated nucleotides have been subjected to hydrolysis under conditions similar to those that favor their template-directed oligomerization. Rate constants of hydrolysis of the P-N bond in guanosine 5'-monophosphate 2-methylimidazolide (2-MeImpG) and in guanosine 5'-monophosphate imidazolide (ImpG), kh, have been determined in the presence/absence of magnesium ion as a function of temperature and polycytidylate [poly(C)] concentration. Using the rate constant of hydrolysis of 2-MeImpG and the rate constant of elongation, i.e., the reaction of an oligoguanylate with 2-MeImpG in the presence of poly(C) acting as template, the limiting concentration of 2-MeImpG necessary for oligonucleotide elongation to compete with hydrolysis can be calculated. The limiting concentration is defined as the initial concentration of monomer that results in its equal consumption by hydrolysis and by elongation. These limiting concentrations of 2-MeImpG are found to be 1.7 mM at 37 degrees C and 0.36 mM at 1 degrees C. Boundary conditions in the form of limiting concentration of activated nucleotide may be used to evaluate a prebiotic model for chemical synthesis of biopolymers. For instance, the limiting concentration of monomer can be used as a basis of comparison among catalytic, but nonenzymatic, RNA-type systems. We also determined the rate constant of dimerization of 2-MeImpG, k2 = 0.45 +/- 0.06 M-1 h-1 in the absence of poly(C), and 0.45 +/- 0.06 less than or equal to k2 less than or equal to 0.97 +/- 0.13 M-1 h-1 in its presence at 37 degrees C and pH 7.95.(ABSTRACT TRUNCATED AT 250 WORDS).

NASA Discipline Number 52-20↗
NASA NTRS2013

KINEROS2-AGWA: Model Use, Calibration, and Validation

KINEROS (KINematic runoff and EROSion) originated in the 1960s as a distributed event-based model that conceptualizes a watershed as a cascade of overland flow model elements that flow into trapezoidal channel model elements. KINEROS was one of the first widely available watershed models that interactively coupled a finite difference approximation of the kinematic overland flow equations to a physically based infiltration model. Development and improvement of KINEROS continued from the 1960s on a variety of projects for a range of purposes, which has resulted in a suite of KINEROS-based modeling tools. This article focuses on KINEROS2 (K2), a spatially distributed, event-based watershed rainfall-runoff and erosion model, and the companion ArcGIS-based Automated Geospatial Watershed Assessment (AGWA) tool. AGWA automates the time-consuming tasks of watershed delineation into distributed model elements and initial parameterization of these elements using commonly available, national GIS data layers. A variety of approaches have been used to calibrate and validate K2 successfully across a relatively broad range of applications (e.g., urbanization, pre- and post-fire, hillslope erosion, erosion from roads, runoff and recharge, and manure transport). The case studies presented in this article (1) compare lumped to stepwise calibration and validation of runoff and sediment at plot, hillslope, and small watershed scales; and (2) demonstrate an uncalibrated application to address relative change in watershed response to wildfire.

Erosion↗
NASA NTRS2016

Results from Source-Based and Detector-Based Calibrations of a CLARREO Calibration Demonstration System

The Climate Absolute Radiance and Refractivity Observatory (CLARREO) mission is formulated to determine long-term climate trends using SI-traceable measurements. The CLARREO mission will include instruments operating in the reflected solar (RS) wavelength region from 320 nm to 2300 nm. The Solar, Lunar for Absolute Reflectance Imaging Spectroradiometer (SOLARIS) is the calibration demonstration system (CDS) for the reflected solar portion of CLARREO and facilitates testing and evaluation of calibration approaches. The basis of CLARREO and SOLARIS calibration is the Goddard Laser for Absolute Measurement of Response (GLAMR) that provides a radiance-based calibration at reflective solar wavelengths using continuously tunable lasers. SI-traceability is achieved via detector-based standards that, in GLAMRs case, are a set of NIST-calibrated transfer radiometers. A portable version of the SOLARIS, Suitcase SOLARIS is used to evaluate GLAMRs calibration accuracies. The calibration of Suitcase SOLARIS using GLAMR agrees with that obtained from source-based results of the Remote Sensing Group (RSG) at the University of Arizona to better than 5 (k2) in the 720-860 nm spectral range. The differences are within the uncertainties of the NIST-calibrated FEL lamp-based approach of RSG and give confidence that GLAMR is operating at 5 (k2) absolute uncertainties. Limitations of the Suitcase SOLARIS instrument also discussed and the next edition of the SOLARIS instrument (Suitcase SOLARIS- 2) is expected to provide an improved mechanism to further assess GLAMR and CLARREO calibration approaches. (2016) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE).

Angal, Amit↗
NASA NTRS2016

Description of the TCERT Vetting Reports for Data Release 25

This document, the Kepler Instrument Handbook (KIH), is for Kepler and K2 observers, which includes the Kepler Science Team, Guest Observers (GOs), and astronomers doing archival research on Kepler and K2 data in NASAs Astrophysics Data Analysis Program (ADAP). The KIH provides information about the design, performance, and operational constraints of the Kepler flight hardware and software, and an overview of the pixel data sets available. The KIH is meant to be read with these companion documents:1. Kepler Data Processing Handbook (KSCI-19081) or KDPH (Jenkins et al., 2016). The KDPH describes how pixels downlinked from the spacecraft are converted by the Kepler Data Processing Pipeline (henceforth just the pipeline) into the data products delivered to the MAST archive. 2. Kepler Archive Manual (KDMC-10008) or KAM (Thompson et al., 2016). The KAM describes the format and content of the data products, and how to search for them.3. Kepler Data Characteristics Handbook (KSCI-19040) or KDCH (Christiansen et al., 2016). The KDCH describes recurring non-astrophysical features of the Kepler data due to instrument signatures, spacecraft events, or solar activity, and explains how these characteristics are handled by the pipeline.4. Kepler Data Release Notes 25 (KSCI-19065) or DRN 25 (Thompson et al., 2015). DRN 25 describes signatures and events peculiar to individual quarters, and the pipeline software changes between a data release and the one preceding it.Together, these documents supply the information necessary for obtaining and understanding Kepler results, given the real properties of the hardware and the data analysis methods used, and for an independent evaluation of the methods used if so desired.

Instrument↗
NASA NTRS2022

Rotation of Low-mass Stars in Upper Centaurus-Lupus and Lower Centaurus-Crux with TESS

We present stellar rotation rates derived from Transiting Exoplanet Survey Satellite (TESS) light curves for stars in Upper Centaurus–Lupus (UCL; ∼136 pc, ∼16 Myr) and Lower Centaurus–Crux (LCC; ∼115 pc, ∼17 Myr). We find spot-modulated periods (P) for ∼90% of members. The range of light-curve and periodogram shapes echoes that found for other clusters with K2, but fewer multiperiod stars may be an indication of the different noise characteristics of TESS, or a result of the source selection methods here. The distribution of P as a function of color as a proxy for mass fits nicely in between that for both older and younger clusters observed by K2, with fast rotators being found among both the highest and lowest masses probed here, and a well-organized distribution of M-star rotation rates. About 13% of the stars have an infrared excess, suggesting a circumstellar disk; this is well matched to expectations, given the age of the stars. There is an obvious pileup of disked M stars at P ∼ 2 days, and the pileup may move to shorter P as the mass decreases. There is also a strong concentration of disk-free M stars at P ∼ 2 days, hinting that perhaps these stars have recently freed themselves from their disks. Exploring the rotation rates of stars in UCL/LCC has the potential to help us understand the beginning of the end of the influence of disks on rotation, and the timescale on which stars respond to unlocking.

L M Rebull↗
NASA NTRS2017

Community Exoplanet Follow-up Program

During the Kepler mission, our team provided the community with the highest resolution images available anywhere of exoplanet host stars. Using speckle interferometry on the 3.5-m WIYN, and 8-m Gemini telescopes, thousands of observations have been obtained reaching the diffraction limit of the telescope. From these public data available at the NASA Exoplanet Archive, numerous publications have resulted and many scientific results have been obtained for exoplanets including the fact that high-resolution imaging is critical to fully characterize the planet host stars and the planets themselves (e.g., planet radius and incident flux). Exoplanet host star observations have also occurred (and continue) for K2 mission candidates with archival data available as well. Observational programs for TESS candidates, WFIRST program stars, and Zodiacal light candidates are currently on-going. Availability to propose or obtain such observations are possible through 1) collaboration with our team, 2) successfully proposing to WIYN or GEMINI for telescope time, or 3) using publically available archival data. This poster will highlight the observational program, how time is allocated and how our queue observational program works, and new features and observational modes that are available now.

Exoplanet↗
NASA NTRS2019

Fine Guidance Sensor Data

The Kepler and K2 missions collected Fine Guidance Sensor (FGS) data in addition to the science data, as discussed in the Kepler Instrument Handbook (KIH, Van Cleve and Caldwell 2016). The FGS CCDs areframe transfer devices located in the corners of the Kepler focal plane, which are read out 10 times every second. The FGS data are being made available to the user community for scientific analysis as flux and centroid time series, along with a limited number of FGS full frame images which may be useful for constructing a World Coordinate System (WCS) or otherwise putting the time series data in context. This document will describe the data content and file format, and give example MATLAB scripts to read the time series.

FGS↗
DOE OSTI2025

Challenges in the detection of gases in exoplanet atmospheres

Claims of detections of gases in exoplanet atmospheres often rely on comparisons between models including and excluding specific chemical species. However, the space of molecular combinations available for model construction is vast and highly degenerate. Only a limited subset of these combinations is typically explored for any given detection. As a result, apparent detections of trace gases risk being artefacts of incomplete modelling rather than robust identification of atmospheric constituents, especially in the low-signal-to-noise regime. Here, using the sub-Neptune K2-18 b as a case study, we show that recent biosignature claims vanish when the model space is expanded, with numerous alternatives providing equally good or better fits. We demonstrate that the significance of a claimed detection relies on the choice of models being compared, and that model preference does not in itself imply the presence of a specific gas. In conclusion, we recommend treating model comparisons instead as relative adequacy tests, which should be supported by theoretical predictions and complementary metrics of statistical significance to attribute a signal to a particular gas.

Astronomy and AstroPhysics↗
DOE OSTI2025

The Zintl pnictides Yb10CdSb9 and Yb14CdSb11: New candidate thermoelectric materials

The synthesis of new materials is the lifeline of solid-state science, and it continues to offer us unique opportunities for testing various theoretical formulations and models on a practical material. Such an avenue, therefore, provides a breeding ground for technological innovations and advancements that can completely revolutionize our world. Here, we report the results of our exploratory syntheses in the Yb–Cd–Sb compositional space that lead to the identification of two new Zintl antimonides, namely, Yb10CdSb9 and Yb14CdSb11. Their crystal structures were established via single-crystal X-ray diffraction methods; the basic electronic and transport properties of the new materials were also characterized. Yb10CdSb9 crystallizes in a disordered variant of the tetragonal Ca10LiMgSb9 structure type with unit cell parameters a = 11.8473(8) Å and c = 17.1302(12) Å (space group P42/mnm). Yb14CdSb11 crystallizes in the tetragonal Ca14AlSb11 structure type with unit cell parameters: a = 16.605(3) Å and c = 12.144(7) Å (space group I41/acd). Although the structures of both compounds can be rationalized within the framework of the Zintl formalism, based on the partitioning of the valence electrons in the much disordered Yb10CdSb9 phase, the charge is indicative of a slightly electron-rich composition. Electronic structure calculations in both cases support the notion of intrinsic semiconductor behavior, as expected for a Zintl phase. The temperature dependence of the electrical resistivity of a single crystal of Yb10CdSb9 is in line with that, and the evolution of the Seebeck coefficient indicates an electron-dominated transport mechanism, and a respectable power factor of 0.71 μW/cm K2 at 460 K can be calculated for Yb10CdSb9. The electrical resistivity of Yb14CdSb11, however, evolves in a semimetallic manner, which could suggest an overdoped sample or degenerate semiconducting behavior.

Ogunbunmi, Michael O. (ORCID:0000000253409198)↗
DOE OSTI2025

Chatbots can guide experimentalists to avoid many common mistakes in measuring fluorescence spectra

The concepts of fluorescence spectroscopy are well established, yet the experimental collection of a spectrum is susceptible to a range of errors. A recent study showed that chatbots – derived from substantial advances in artificial intelligence – can provide practical assistance to the experimentalist during collection of absorption spectra and thereby achieve improved quality. Fluorescence, while the complement of absorption, is prone to a far richer array of experimental errors encompassing environmental factors, instrumental settings, and experimentalist mistakes. Here, 10 chatbots (ChatGPT 5, Gemini 2.5 Pro, Microsoft Copilot, Meta AI Llama 4, Claude Sonnet 4.5, X.ai Grok 4, Perplexity Pro, DeepSeek V3.1, Z.ai GLM-4.6, and KIMI K2) have been evaluated for the suitability in providing quality-improvement advice to the experimentalist during acquisition of fluorescence spectra. Significant opportunities for practical assistance are noted, although intervention by a domain expert is often required. Here, if combined with image recognition and/or signal processing, chatbots embedded in instruments may enable real-time guidance during fluorescence data acquisition.

Artificial intelligence↗
DOE OSTI2026

Study of the Protection Improvements for a Weak Grid Area With High Inverter-Based Resources (IBRs)

This project designs enhanced protection scheme for the real-world weak grid area with a high penetration of IBRs. As the existing protection schemes are originally designed for traditional synchronous machines, we first evaluate if the protection scheme will continue to operate reliably in systems with high levels of IBRs. Hardware relays are tested using a controller-hardware-in-the-loop setup. PSCAD electromagnetic transient simulation with IBR original equipment manufacturer black-box models is used to perform fault studies and generate COMTRADE data, which are replayed by a real-time digital simulator (RTDS) to feed input to the hardware relays. Three scenarios are analyzed: normal operation, an N-1 contingency, and an IBR-only scenario. The evaluation results reveal the following: 1) the protection scheme remains reliable under normal conditions and N-1 contingencies and 2) in IBR-only scenarios, differential protection (87L) continues to operate reliably, whereas local protection elements, such as distance and directional elements, fail because of the lack of regulated negative sequence current contributed by IBRs. Enhanced protection is designed to address the challenge of lack of negative sequence current from IBRs, including increased restraining factors a2 and k2 to block 32Q or using V instead QV ORDER for ground faults, enhanced mho distance element with voltage and phase angle supervision for L-L faults. The efficacy of enhanced protection logic is validated and proven to work reliably. Additionally, IEEE Std. 2800-2022 negative sequence current compliant GFL and GFM IBRs from another vendor are tested and proven to work reliably without need for enhanced logic. Therefore, this work provides valuable decision-making for utilities facing protection system challenges due to IBRs, either designing enhanced protection scheme or requesting their IBRs being IEEE Std. 2800-2022 compliant to produce regulated negative sequence current for protection relay to make correct decision.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Guiding Principles for Geochemical/Thermodynamic Model Development and Validation in Nuclear Waste Disposal: A Close Examination of Recent Thermodynamic Models for H + —Nd 3+ —NO 3 - (—Oxalate) Systems

Development of a defensible source-term model (STM), usually a thermodynamical model for radionuclide solubility calculations, is critical to a performance assessment (PA) of a geologic repository for nuclear waste disposal. Such a model is generally subjected to rigorous regulatory scrutiny. In this article, we highlight key guiding principles for STM model development and validation in nuclear waste management. We illustrate these principles by closely examining three recently developed thermodynamic models with the Pitzer formulism for aqueous H + —Nd 3+ —NO 3 - (—oxalate) systems in a reverse alphabetical order of the authors: the XW model developed by Xiong and Wang, the OWC model developed by Oakes et al., and the GLC model developed by Guignot et al., among which the XW model deals with trace activity coefficients for Nd(III), while the OWC and GLC models are for concentrated Nd(NO 3 ) 3 electrolyte solutions. The principles highlighted include the following: (1) Principle 1. Validation against independent experimental data: A model should be validated against experimental data or field observations that have not been used in the original model parameterization. We tested the XW model against multiple independent experimental data sets including electromotive force (EMF), solubility, water vapor, and water activity measurements. The results show that the XW model is accurate and valid for its intended use for predicting trace activity coefficients and therefore Nd solubility in repository environments. (2) Principle 2. Testing for relevant and sensitive variables: Solution pH is such a variable for an STM and easily acquirable. All three models are checked for their ability to predict pH conditions in Nd(NO 3 ) 3 electrolyte solutions. The OWC model fails to provide a reasonable estimate for solution pH conditions, thus casting serious doubt on its validity for a source-term calculation. In contrast, both the XW and GLC models predict close-to-neutral pH values, in agreement with experimental measurements. (3) Principle 3. Honoring physical constraints: Upon close examination, it is found that the Nd(III)-NO 3 association schema in the OWC model suffers from two shortcomings. Firstly, its second stepwise stability constant for Nd(NO 3 ) 2+ (log K 2 ) is much higher than the first stepwise stability constant for NdNO 3 2+ (log K 1 ), thus violating the general rule of (log K 2 –log K 1 ) < 0, or $\frac{K1}{K2}$>1. Secondly, the OWC model predicts abnormally high activity coefficients for Nd(NO 3 ) 2 + (up to ~900) as the concentration increases. (4) Principle 4. Minimizing degrees of freedom for model fitting: The OWC model with nine fitted parameters is compared with the GLC model with five fitted parameters, as both models apply to the concentrated region for Nd(NO 3 ) 3 electrolyte solutions. The latter appears superior to the former because the latter can fit osmotic coefficient data equally well with fewer model parameters. The work presented here thus illustrates the salient points of geochemical model development, selection, and validation in nuclear waste management.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

NASA’s Pandora SmallSat Mission: Simulated Modeling and Retrieval of Near-infrared Exoplanet Transmission Spectra

Pandora is a SmallSat mission dedicated to understanding exoplanets and their host stars by disentangling the impact of stellar heterogeneity on exoplanet transmission spectra. Selected as a NASA Astrophysics Pioneers mission in 2021, Pandora will provide simultaneous long-term visible photometric monitoring (0.4–0.7 μm) and low-resolution near-infrared (NIR) spectroscopy (0.9–1.6 μm) of transiting systems for the purposes of monitoring host star variability and characterizing exoplanetary atmospheres. Pandora’s year-long prime mission from 2026 to 2027 coincides with the middle of a decade defined by targeted efforts for atmospheric characterization of exoplanets, offering a key opportunity to leverage this new resource to maximize science with JWST and other observatories. Here we investigate Pandora’s anticipated performance for the general exoplanet population accessible to transit spectroscopy, from hot Jupiters to temperate sub-Neptunes. By modeling the atmospheres of five test cases broadly consistent with the bulk properties of HD 209458b, HD 189733b, WASP-80 b, HAT-P-18 b, and K2-18 b, we find that Pandora may provide abundance constraints as precise as ∼1.0 dex for main atmospheric absorbers such as H 2 O and CH 4 . Then, we explore the synergies between Pandora and JWST. Our results suggest that targets with JWST data in the NIR can benefit from the addition of Pandora observations and result in more reliable abundance estimates than with JWST data alone. Moreover, Pandora can serve the community by providing precursory observations of targets of interest for JWST atmospheric characterization. We conclude by outlining strategies for the use of Pandora as a standalone observatory and in synergy with JWST.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1972

Collocated interfacial stress intensity factors for finite bi-material plates.

This paper deals with elastic stress intensity factors associated with stress fields near partially debonded interfaces in finite, bi-material plates. Bi-material stress intensity factors K1 and K2 are not associated, respectively, with symmetric and skew-symmetric loading and are functions of an arbitrary length parameter. Any fracture condition involving bi-material stress intensity factors must be independent of the arbitrary length parameter and must be consistent with experiment. We define a new parameter called the interfacial stress intensity factor which satisfies the former condition. A truncated Williams power series stress function for stresses in a cracked bi-material plate, as modified by Sih and Rice, is used with a modified boundary collocation procedure to generate interfacial stress intensity factors for finite bi-material plates.

Sawyer, S. G.↗
NASA NTRS1973

Some effects of elasticity on lunar rotation

A general Hamiltonian for a rotating moon in the field of the earth is expanded in terms of parameters orienting the spin angular momentum relative to the principal axes of the moon and relative to coordinate axes fixed in the orbital plane. The effects of elastic distortion are included as modifications of the moment of inertia tensor, where the magnitude of the distortion is parameterized by the Love number k2. The amplitudes of the principal periodic terms in the longitude of a point on the moon due to variations of the tide caused by the earth are discussed. A detailed derivation of the free wobble of the lunar spin axis about the axis of maximum moment of inertia is given. If the moon's rigidity is close to that of the earth there is no effect of elasticity on the rotation which can be measured with the laser ranging and, therefore, no elastic properties of the moon can be determined from variations in the rotation.

Peale, S. J.↗
NASA NTRS1976

The far-ultraviolet /1180-1950 A/ emission spectrum of Arcturus

The far-ultraviolet (1180-1950 A) emission spectrum of the K2 IIIp star, Arcturus, has been obtained with a rocket-borne multichannel spectrometer. The use of multiple detectors gave an increase in effective observing time and permitted an improvement in spectral resolution over two previous rocket measurements. H I at 1216-A and O I at 1304 A are the only identified emissions, and the observed H I 1216-A flux is low compared with previous observations. A third unidentified feature was observed at 1511 A. The absence of many lines found in emission from the sun is striking. The absence of certain features implies that the coronal temperature must be either below 50,000 K or above 350,000 K.

Mckinney, W. R.↗