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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
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Reduction of CO to Methanol with Recyclable Organic Hydrides

We report the reaction steps for the selective conversion of a transition metal carbonyl complex to a hydroxymethyl complex that releases methanol upon irradiation with visible light have been successfully quantified in acetonitrile solution with dihydrobenzimidazole organic hydride reductants. Dihydrobenzimidazole reductants have been shown to be inactive toward H 2 generation in the presence of a wide range of proton sources and have been regenerated electrochemically or photochemically. Specifically, the reaction of cis-[Ru(bpy) 2 (CO) 2 ] 2+ (bpy = 2,2'-bipyridine) with one equivalent of a dihydrobenzimidazole quantitatively yields a formyl complex, cis-[Ru(bpy) 2 (CO)(CHO)] + , and the corresponding benzimidazolium on a seconds time scale. Kinetic experiments revealed a first-order dependence on the benzimidazole hydride concentration and an unusually large kinetic isotope effect, inconsistent with direct hydride transfer and more likely to occur by an electron transfer-proton-coupled electron transfer (EΤ-PCET) or related mechanism. Further reduction/protonation of cis-[Ru(bpy) 2 (CO)(CHO)] + with two equivalents of the organic hydride yields the hydroxymethyl complex cis-[Ru(bpy) 2 (CO)(CH 2 OH)] + . Visible light excitation of cis-[Ru(bpy) 2 (CO)(CH 2 OH)] + in the presence of excess organic hydride was shown to yield free methanol. Identification and quantification of methanol as the sole CO reduction product was confirmed by 1 H NMR spectroscopy and gas chromatography. The high selectivity and mild reaction conditions suggest a viable approach for methanol production from CO, and from CO 2 through cascade catalysis, with renewable organic hydrides that bear similarities to Nature's NADPH/NADP + .

14 SOLAR ENERGY↗
DOE OSTI2023

Templates of expected measurement uncertainties for (n, xn) cross sections

A template is provided for evaluating experimental uncertainties for neutron elastic and inelastic scattering cross sections and γ -ray production cross sections from (n, xn) measurements at laboratories with monoenergetic or white neutron sources. A typical range of uncertainties is presented for experiments detecting the scattered neutrons or the resulting de-excitation γ rays based on a survey of available data and input from many experimentalists and theorists with extensive knowledge in the field. Models commonly used to evaluate the resulting cross-sections are also discussed. Suggestions are made regarding what experimental and uncertainty information is needed for data evaluations and should be included when reporting experimental (n, xn) cross sections. Uncertainty values and correlations are recommended if these values cannot be estimated for past data from the literature.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Single-shot measurements of pulse-front tilt in intense ps laser pulses and its effect on accelerated electron and ion beam characteristics (invited)

Here we report recent single-shot spatiotemporal measurements of laser pulses, including pulse-front tilt (PFT) and spatial chirp, taken at the Compact Multipulse Terawatt laser at the Jupiter Laser Facility in Livermore, CA. STRIPED FISH, a device that measures the complete 3D electric field of fs to ps laser pulses on a single shot, was adapted to near infrared for these measurements. We present the design of the instrument used for these experiments, the on-shot measurements of systematic high-order PFT, and shot-to-shot variations in the measurements of spatiotemporal couplings. Finally, we simulate the effect of PFT in target normal sheath acceleration experiments. These simulations showed that pulse front tilt can steer hot electrons, shape the distribution of the accelerating sheath field, and increase the variability of cutoff energy in the resulting proton spectra. While these effects may be detrimental to experimental accuracy if the pulse front tilt is left unmeasured, hot electron steering shows promise for precision manipulation of the particle source for a range of applications, including irradiation of secondary targets for opacity measurements, radiography, or neutron generation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

The miniJPAS survey quasar selection – I. Mock catalogues for classification

In this series of papers, we employ several machine learning (ML) methods to classify the point-like sources from the miniJPAS catalogue, and identify quasar candidates. Since no representative sample of spectroscopically confirmed sources exists at present to train these ML algorithms, we rely on mock catalogues. In this first paper, we develop a pipeline to compute synthetic photometry of quasars, galaxies, and stars using spectra of objects targeted as quasars in the Sloan Digital Sky Survey . To match the same depths and signal-to-noise ratio distributions in all bands expected for miniJPAS point sources in the range 17.5 ≤ r < 24, we augment our sample of available spectra by shifting the original r-band magnitude distributions towards the faint end, ensure that the relative incidence rates of the different objects are distributed according to their respective luminosity functions, and perform a thorough modelling of the noise distribution in each filter, by sampling the flux variance either from Gaussian realizations with given widths, or from combinations of Gaussian functions. Finally, we also add in the mocks the patterns of non-detections which are present in all real observations. Although the mock catalogues presented in this work are a first step towards simulated data sets that match the properties of the miniJPAS observations, these mocks can be adapted to serve the purposes of other photometric surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

$Ξ$ 𝑏 → $Ξ$ form factors from lattice QCD and standard-model predictions for $Ξ$ 𝑏 → $Ξ$⁢𝜇 + ⁢𝜇 − and $Ξ$ 𝑏 → $Ξ$⁢𝛾 decays

We present the first lattice QCD determination of the $Ξ$ 𝑏 → $Ξ$ vector, axial-vector, and tensor form factors, which are relevant for the theory of rare decays including $Ξ$ 𝑏 → $Ξ$⁢ℓ + ⁢ℓ − and $Ξ$ 𝑏 → $Ξ$⁢𝛾. The calculation is performed with 2+1 flavors of domain-wall fermions at three different lattice spacings and pion masses in the range from approximately 430 to 230 MeV. The bottom quark is implemented using an anisotropic clover action. Three-point functions with a wide range of source-sink separations and model averaging are used to extract the ground-state contributions. We fit the dependence of the form factors on the momentum transfer, the pion mass, and the lattice spacing using modified 𝑧 expansions that account for subthreshold branch cuts, and apply dispersive bounds and asymptotic behavior constraints to achieve controlled uncertainties in the full semileptonic kinematic region. Using our form factor results, we present standard model predictions for the $Ξ$$^{−}_{𝑏}$ → $Ξ$ − ⁢𝛾 and $Ξ$$^{−}_{𝑏}$ → $Ξ$ − ⁢𝜇 + ⁢𝜇 − branching fractions and two angular observables.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Calculating n-point charge correlations in evolving systems

Background: In dynamic systems such as heavy-ion collisions, charge susceptibilities and local charge correlations change with time. These changes are accompanied by nonlocal correlations, which spread diffusively with time and are constrained by local charge conservation. Such correlations have been measured at the Relativistic Heavy-Ion Collider (RHIC) and have been linked to the chemical evolution of the matter and possible phase separation or critical phenomena. The evolution of such correlations has been modeled for two-point correlators superimposed onto hydrodynamics, but not for three- or four-point correlators. These higher-order correlators represent an essential basis for calculating the kurtosis and skewness of charge distributions measured at RHIC. For short-range correlations, such as those between charges on the same particle, and the associated charge-balance correlations a theoretical formalism was lacking for handling higher-order correlations. In particular, one needed to understand how higher-order charge fluctuations was split onto lower numbers of particles. For example, correlations of order three have contributions with charge all on one particle, split onto two particle, or split onto three. By assuming local chemical equilibrium of short-range correlations, the sources of the various correlators were found to be uniquely determined. The relevant theoretical foundation is presented here, including a diagrammatic technique to correctly account for all the possible terms to higher-order correlations. Here, we found a consistent theoretical treatment and its applicability, viability, and tractability are discussed. The formalism derived here enables realistic and quantitative modeling of the three- and four-point charge correlations necessary for understanding measurements of the kurtosis and skewness of charge distributions at RHIC. These observables have been promoted as signals of phase transitions or measures of chemical evolution.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Characterization of Noise in CMOS Ring Oscillators at Cryogenic Temperatures

Allan deviation provides a means to characterize the time-dependence of noise in oscillators and potentially identify the source characteristics. Measurements on a 130 nm, 7-stage ring oscillator show that the Allan deviation declines from 300 K to 150 K as expected, but surprisingly increases from 150 K to 11 K. At low temperatures, the measured Allan deviation can be well fit using a few random telegraph noise (RTN) sources over the range of a few kilohertz to a few gigahertz. Further, the RTN characteristics evolve to reveal an enhanced role in low-frequency noise at lower temperatures.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Enhancing ChatPORT with CUDA-to-SYCL Kernel Translation Capability

Large Language Models (LLMs) have shown strong capabilities in general code translation. However, code translation involving parallel programming models remains largely unexplored. This work enhances the capabilities of code LLMs in CUDA-to-SYCL kernel translation with parameter-efficient fine-tuning. The resultant fine-tuned LLM, called ChatPORT, is an effort to provide high-fidelity translations from one programming model to another. We describe the preparation of datasets from heterogeneous computing benchmarks for model fine-tuning and testing, the parameter-efficient fine-tuning of 19 open-source code models ranging in size from 0.5 to 34 billion parameters and evaluate the correctness rates of the SYCL kernels by the fine-tuned models. The experimental results show that most code models fail to translate CUDA codes to SYCL correctly. However, fine-tuning these models using a small set of CUDA and SYCL kernels can enhance the capabilities of these models in kernel translation. Depending on the sizes of the models, the correctness rate ranges from 19.9% to 81.7% for a test dataset of 62 CUDA kernels.

Jin, Zheming [ORNL] (ORCID:000000027197780X)↗
DOE OSTI2022

Engineering isoprenoids production in metabolically versatile microbial host Pseudomonas putida

Abstract With the increasing need for microbial bioproduction to replace petrochemicals, it is critical to develop a new industrial microbial workhorse that improves the conversion of lignocellulosic carbon to biofuels and bioproducts in an economically feasible manner. Pseudomonas putida KT2440 is a promising microbial host due to its capability to grow on a broad range of carbon sources and its high tolerance to xenobiotics. In this study, we engineered P. putida KT2440 to produce isoprenoids, a vast category of compounds that provide routes to many petrochemical replacements. A heterologous mevalonate (MVA) pathway was engineered to produce potential biofuels isoprenol (C 5 ) and epi-isozizaene (C 15 ) for the first time in P. putida . We compared the difference between three different isoprenoid pathways in P. putida on isoprenol production and achieved 104 mg/L of isoprenol production in a batch flask experiment through optimization of the strain. As P. putida can natively consume isoprenol, we investigated how to prevent this self-consumption. We discovered that supplementing l -glutamate in the medium can effectively prevent isoprenol consumption in P. putida and metabolomics analysis showed an insufficient energy availability and an imbalanced redox status during isoprenol degradation. We also showed that the engineered P. putida strain can produce isoprenol using aromatic substrates such as p -coumarate as the sole carbon source, and this result demonstrates that P. putida is a valuable microbial chassis for isoprenoids to achieve sustainable biofuel production from lignocellulosic biomass. Graphical Abstract

09 BIOMASS FUELS↗
DOE OSTI2021

Impact of Spontaneous Fission Neutron Emission Energy on Neutron Detector Response

A parametric study was simulated in MCNP to investigate the impact of spontaneous fission neutron energy on neutron detector response. A total of 880 configurations were simulated by varying 3 He pressure and polyethylene reflector thickness for 8 different isotopes. Results showed that deviations between the simulated isotopes become more prevalent at higher energies with 238 U showing the greatest deviation. It was also observed that configurations comparable to most detection setups, 10 atm and 6 - 8 cm polyethylene, were closer to the upper bound of deviations from a 252 Cf. 240 Pu, a common spontaneous fission source of interest, ranged from 2% - 3% within this space. This suggests that further investigation is required to determine exact correction factors when calibrating neutron detectors with a 252 Cf. Although demonstrated here for a 4π-detection system, future plans include simulating a more detailed model of the MC-15 detection setup to determine exact correction factors for future experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Random quasi-phase-matching for pulse characterization from the near to the long wavelength infrared

Experiments requiring ultrafast laser pulses require a full characterization of the electric field to glean meaning from the experimental data. Such characterization typically requires a separate parametric optical process. As the central wavelength range of new sources continues to increase so too does the need for nonlinear crystals suited for characterizing these wavelengths. Here we report on the use of poly-crystalline zinc selenide as a universal nonlinear crystal in the frequency resolved optical gating characterization technique from the near to long-wavelength infrared. Due to its property of random quasi-phase-matching it’s capable of phase matching second-harmonic and sum-frequency generation of ultra-broadband pulses in the near and long wavelength infrared, while being crystal orientation independent. With the majority of ultra-fast laser sources being in this span of wavelengths, this work demonstrates a greatly simplified approach towards ultra-fast pulse characterization spanning from the near to the long-wavelength infrared. To our knowledge there is no single optical technique capable of such flexible capabilities.

Davis, Brandin (ORCID:0000000166964548)↗
DOE OSTI2020

Electromagnetic Pulse in Wide-Angle Gamma Shadows

Unavoidable masses external to the warhead, associated with collateral EMP scenarios of current interest, produce a gamma shadow which changes the EMP seen in the shadowed region compared to that in the absence of a shadow. Calculations with the author’s three-dimensional MACSYNC code for a ground observer under the burst show shadowed field rise times ranging from many tens to hundreds of microseconds, durations approaching a millisecond, and magnitudes similar to those of the unshadowed field, depending on gamma shadow angle. These fields are likely to be smaller for larger observer ground ranges because the source region will shift to higher altitudes with associated higher conductivity that will attenuate the field.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2021

AI to Predict Glass Compositions Satisfying Property and Cooling Rate Criteria

This project aimed to develop a predictive, artificial intelligence/machine learning-based model to identify glass compositions satisfying specified property requirements. Such a model would provide a systematic approach for narrowing down the nearly infinite range of possible compositions for glasses and minimize unnecessary experimental trial and error. A large empirical data set for training and testing the algorithm was obtained from the SciGlass database. It contains glass compositions and corresponding property data from a wide range of literature sources. However, the currently available form of this data, recently released under an open database license, is not conducive to easy querying and use. The data structure was deciphered and a customized parsing code developed to make this data more usable for the current and future work. Neural network models were developed and trained on viscosity data from the database and demonstrated potential for improving prediction accuracy over a traditional regression model.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Multi-phenomenology Yield Characterization

This report serves as the first delivery of a four-year applied science effort to transform and advance the error bounds for the yield estimate of an explosion. Each year’s delivery will be in this form, culminating in the submission of this work for peer review to a scientific journal. Importantly, the yearly progress reports can then also be viewed as expanding drafts working towards a formal journal article submission. For the first tranche of funding, we collaborated with Air Force Technical Applications Center (AFTAC) scientists to identify unclassified real-world data that demonstrate and validate our advanced error propagation methods. Collaboration includes visits to AFTAC and telecons. For this development, we illustrate the fusion of seismic, acoustic, optical, and surface effect signatures from an explosion. The mathematics and code being adapted to this specific application (Williams et al., 2021) involves physics models of multiple sensor signatures. We have also identified related physics models and have integrated them into code. Current methods of underground explosion yield estimation for the Threshold Test Ban Treaty (TTBT) have served the US treaty monitoring mission well for decades. A research objective of the Defense Nuclear Nonproliferation Research and Development (DNN R&D) office of the National Nuclear Security Administration (NNSA) has always been to provide new technical capabilities for monitoring lower thresholds. The general model and error propagation code to be developed in this project is based on significant advances in error modeling and propagation needed to analyze data at lower detection thresholds. The second tranche of funding for this project began on May 1, 2022, and planned work for the second tranche includes: i) completing the integration of physical model code into the general error model framework; this code accommodates a wide range of linear/nonlinear source models, fixed/ random effects, and frequentist/Bayesian analyses (the purpose of which is not to dictate to users how to analyze data, but instead to allow users the maximum flexibility in their work); ii) illustrative application of code to identified data, and; iii) initial planning with AFTAC researchers on delivery of code to the Common Development Environment at AFTAC, and continued writing of the planned final journal article submission (year two of this progress report), with particular emphasis on descriptions of data identified for this effort.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
NASA NTRS1972

The response of covered silicon detectors to monoenergetic gamma rays

Measurements were made of the efficiency in detecting gamma rays of a 0.3-mm, a 3-mm, and a 5-mm silicon detector covered with different absorbers. Calibrated sources covering the range from 279 KeV to 2.75 MeV were used. The need for the absorbers in order to obtain meaningful results, and their contribution to detector response at electron biases from 50 to 200 KeV, are discussed in detail. It is shown that the results are independent of the atomic number of the absorber. In addition, the role of the absorber in increasing the efficiency with increasing photon energy for low bias setting is demonstrated for the 0.3-mm crystal. Qualitative explanations are given for the shapes of all curves of efficiency versus energy at each bias.

Reier, M.↗
NASA NTRS1972

The response of covered silicon detectors to monoenergetic gamma rays.

Measurements have been made of the efficiency in detecting gamma rays of a 0.3-mm-, 3-mm-, and 5-mm-thick silicon detector covered with different absorbers. Calibrated sources over the range from 279 keV to 2.75 MeV were used. The need for the absorbers to obtain meaningful results and their contribution to the response of the detectors at electron biases from 50 to 200 keV are discussed in detail. It is shown that the results are virtually independent of the atomic number of the absorber. In addition, the role of the absorber in increasing the efficiency with increasing photon energy for low bias settings is demonstrated for the 0.3-mm crystal. Qualitative explanations are given for the shapes of all curves of efficiency versus energy at each bias.

Reier, M.↗
NASA NTRS1973

New infrared sources associated with H II regions

The H II regions studied have generally been those which contain OH or H2O maser sources and which have been shown to contain compact condensations of ionized gas which may be connected with star formation processes. A brief account of two such sources, W3 and NGC 7538, is given. On the basis of the reported observations it is concluded that in general H II condensations are infrared sources in the range from 3 to 20 microns. The condensations are hidden optically by large quantities of obscuring matter.

Wynn-Williams, C. G.↗
NASA NTRS1977

Astronautic structures manual

Three-volume reference work serves as catalog of analysis techniques for elastic and inelastic stress ranges and as source on background and development of methods. Information is condensation of published journal articles, industry and university publications, textbooks, and government documents.

Source record↗