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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 109 records · Page 6

Plasmasphere Modeling with Ring Current Heating

Coulomb collisions between ring current ions and the thermal plasma in the plasmasphere will heat the plasmaspheric electrons and ions. During a storm such heating would lead to significant changes in the temperature and density of the thermal plasma. This was modeled using a time- dependent, one-stream hydrodynamic model for plasmaspheric flows, in which the model flux tube is connected to the ionosphere. The model simultaneously solves the coupled continuity, momentum, and energy equations of a two-ion (H(+) and O(+) quasineutral, currentless plasma. Heating rates due to collisions with ring current ions were calculated along the field line using a kinetic ring current model. First, diurnally reproducible results were found assuming only photoelectron heating of the thermal electrons. Then results were found with heating of the H(+) ions by the ring current during the recovery phase of a magnetic storm.

Guiter, S. M.↗

A Study Comparing Several Isocyanate and Isothiocyanate Derivatives of Porasil C for the Separation of Lower Hydrocarbons by GC

Several isocyanate and isothiocyanate derivatives Porasil C were synthesized and evaluated for the separation of the low-molecular-weight saturated and unsaturated hydrocarbons. It was shown that different functional groups significantly affect the retention behavior of the more polar unsaturated hydrocarbons, and that reproducible results can be obtained if dry carrier gas is used.

Pollock, Glenn E.↗

User Manual for the NASA Glenn Ice Accretion Code LEWICE: Version 2.0

A research project is underway at NASA Glenn to produce a computer code which can accurately predict ice growth under a wide range of meteorological conditions for any aircraft surface. This report will present a description of the code inputs and outputs from version 2.0 of this code, which is called LEWICE. This version differs from previous releases due to its robustness and its ability to reproduce results accurately for different spacing and time step criteria across computing platform. It also differs in the extensive effort undertaken to compare the results against the database of ice shapes which have been generated in the NASA Glenn Icing Research Tunnel (IRT) 1. This report will only describe the features of the code related to the use of the program. The report will not describe the inner working of the code or the physical models used. This information is available in the form of several unpublished documents which will be collectively referred to as a Programmers Manual for LEWICE 2 in this report. These reports are intended as an update/replacement for all previous user manuals of LEWICE. In addition to describing the changes and improvements made for this version, information from previous manuals may be duplicated so that the user will not need to consult previous manuals to use this code.

Wright, William B.↗

Software for Statistical Analysis of Weibull Distributions with Application to Gear Fatigue Data: User Manual with Verification

The Weibull distribution has been widely adopted for the statistical description and inference of fatigue data. This document provides user instructions, examples, and verification for software to analyze gear fatigue test data. The software was developed presuming the data are adequately modeled using a two-parameter Weibull distribution. The calculations are based on likelihood methods, and the approach taken is valid for data that include type 1 censoring. The software was verified by reproducing results published by others.

Krantz, Timothy L.↗

Software for Statistical Analysis of Weibull Distributions with Application to Gear Fatigue Data: User Manual with Verification

The Weibull distribution has been widely adopted for the statistical description and inference of fatigue data. This document provides user instructions, examples, and verification for software to analyze gear fatigue test data. The software was developed presuming the data are adequately modeled using a two-parameter Weibull distribution. The calculations are based on likelihood methods, and the approach taken is valid for data that include type I censoring. The software was verified by reproducing results published by others.

Kranz, Timothy L.↗

Versatile Vials

Advanced Fuel Research, Inc. (AFR) developed a new sol-gel material coating for sample vials to be used in surface-enhanced Raman (SER) spectroscopy. In the fields of biomedical and forensic science, the coated vials are used to identify physiological chemicals present in blood and urine. The vials are used in the pharmaceutical industry in the area of drug development and discovery. In the drug enforcement field, using the vials helps with detection of trace amounts of drugs on surfaces. The SER vials will also help to identify contaminants in water sources, such as various inorganics and pesticides. The new vials have advantages over other SER materials. Former products required that samples be pre-mixed or dissolved into specific solvents or reagents. The SER vials do not have these limitations, and measurements can be performed using any solvent. Furthermore, the signal appears in less than one second. The sol-gel material will stay active for at least one year and the vials are compatible with any Raman spectrometer. Most importantly, the SER activity can be duplicated from vial-to-vial, allowing for reproducible results.

Source record↗

Software Released by LEWICE 2.0 Ice Accretion Software Development Project

Computational icing simulation methods are making the transition from the realm of research to commonplace use in design and certification. As such, standards of software management, design, validation, and documentation must be adjusted to accommodate the increased expectations of the user community with respect to accuracy, reliability, capability, and usability. With this in mind, in collaboration with Glenn's Engineering Design and Analysis Division, the Icing Branch of the NASA Glenn Research Center at Lewis Field began a software improvement project focused on the two-dimensional ice accretion simulation tool LEWICE. This project is serving as an introduction to the concepts of software management and is intended to serve as a pilot project for future icing simulation code development. The LEWICE 2.0 Software Development Project consisted of two major elements: software management and software validation. The software management element consisted of identifying features of well-designed and well-managed software that are appropriate for an analytical prediction tool such as LEWICE and applying them to a revised version of the code. This element included tasks such as identification of software requirements, development and implementation of coding standards, and implementation of software revision control practices. With the application of these techniques, the LEWICE ice accretion code became a more stable and reliable software product. In addition, the lessons learned about software development and maintenance can be factored into future software projects at the outset. The software validation activity was an integral part of our effort to make LEWICE a more accurate and reliable analysis tool. Because of the efforts taken to extensively validate this software, LEWICE 2.0 is more robust than previous releases and can reproduce results accurately across several computing platforms. It also differs from previous versions in the extensive quantitative comparisons of its results with a data base of ice shapes that were generated in Glenn's Icing Research Tunnel. The results of the shape comparisons were analyzed to determine the range of meteorological conditions under which LEWICE 2.0 is within the repeatability found for ice shapes obtained from experiments. These comparisons show that the average variation of LEWICE 2.0 from experimental data is 7.2 percent, whereas the overall variability of the experimental data is 2.5 percent. The LEWICE 2.0 Software Development Project resulted in the release, at the recent Icing Branch LEWICE Workshop, of a more useful and robust analysis tool than was previously available to the icing community. The lessons learned from this project will be applied to the Icing Branch s future software development efforts.

Potapczuk, Mark G.↗

OLTARIS: On-Line Tool for the Assessment of Radiation in Space

The effects of ionizing radiation on humans in space is a major technical challenge for exploration to the moon and beyond. The radiation shielding team at NASA Langley Research Center has been working for over 30 years to develop techniques that can efficiently assist the engineer throughout the entire design process. OLTARIS: On-Line Tool for the Assessment of Radiation in Space is a new NASA website (http://oltaris.larc.nasa.gov) that allows engineers and physicists to access a variety of tools and models to study the effects of ionizing space radiation on humans and shielding materials. The site is intended to be an analysis and design tool for those working radiation issues for current and future manned missions, as well as a research tool for developing advanced material and shielding concepts. The site, along with the analysis tools and models within, have been developed using strict software practices to ensure reliable and reproducible results in a production environment. They have also been developed as a modular system so that models and algorithms can be easily added or updated.

Sandridge, Chris A.↗

An Integrated Physics-Based Risk Model for Assessing the Asteroid Threat

Although most asteroids and other near-Earth objects (NEOs) do not pose a threat to Earth’s inhabitants, impacts from objects that are just tens of meters in diameter can cause significant damage if they occur over a populated area. This paper forms the foundation of an effort at NASA Ames Research Center to quantify these risks and identify the greatest risk-driving parameters and uncertainties. An integrated risk model that couples dynamic probabilistic simulations of strike occurrences with physics-based models of NEO impact damage factors has been developed to generate casualty estimates for a range of NEO impact properties. Currently, the model focuses on the risk due to blast overpressure damage from airbursts and impacts on land. The model is first used to reproduce results from established sources, and then is extended to perform sensitivity studies that yield greater insights into risk driving parameters. Results show that meteor strength and entry angle play a role for small to mid-size NEOs, and that accounting for the specific target location significantly affects casualty estimates and dominates the risk. Future work will continue to refine and expand the models to better characterize key impact risk factors, include additional types of threats such as tsunamis and climate effects, and ultimately support assessments of potential asteroid mitigation strategies.

Asteroid Threat↗

Accretion Disc MHD Winds and Blazar Classification

The Fermi Gamma-Ray Space Telescope observations of blazars show a strong correlation between the spectral index of their -ray spectra and their synchrotron peak frequency synpk ;additionally, the rate of Compton dominance of these sources also seems to be a function of synpk .In this work, we adopt the assumption that the non-thermal emission of blazars is primarily due to radiation by a population of Fermi-accelerated electrons in a relativistic outflow (jet) along the symmetry axis of the blazar's accretion disc. Furthermore, we assume that the Compton component is related to an external photon field of photons, which are scattered from particles of the magnetohydrodynamic wind emanating from the accretion disc. Our results reproduce well the aforementioned basic observational trends of blazar classification by varying just oneparameter, namely the mass accretion rate on to the central black hole.

Boula, Stella↗

A Data-driven, Physics-based Transport Model of Solar Energetic Particles Accelerated by Coronal Mass Ejection Shocks Propagating through the Solar Coronal and Heliospheric Magnetic Fields

In an effort to develop computational tools for predicting radiation hazards from solar energetic particles (SEPs), we have created a data-driven physics-based particle transport model to calculate the injection, acceleration, and propagation of SEPs from coronal mass ejection (CME) shocks traversing through the solar corona and interplanetary magnetic fields. The model runs on an input of corona and heliospheric plasma and magnetic field configuration from a magnetohydrodynamic model driven by solar photospheric magnetic field measurements superposed with observed CME shocks determined from coronagraph images. SEP source particles are injected at the shock using the result of diffusive shock acceleration formulation from a characteristic obliquity-dependent injection from a heated solar wind thermal tail population. With several advanced computation techniques involving stochastic simulation and integration, the model obtains the particle intensity at any location in interplanetary space through the rigorous solution to the time-dependent 5D focus transport equation in the phase space that includes perpendicular diffusion. We apply the model to the 2011 November 3 CME event. The calculation results reproduce multispacecraft SEP observations at Earth and STEREO-B reasonably well without normalization of particle flux. The observations at STEREO-A can be reproduced by rescaling particle energy or modified energy dependence of particle diffusion coefficients. This circumsolar SEP event seen by spacecraft at Earth, STEREO-A, and STEREO-B at widely separated longitudes can be explained by diffusive shock acceleration by a single CME shock with a moderate speed.

Solar energetic particles↗

A reproducibility study of "Augmenting Genetic Algorithms with Deep Neural Networks for Exploring the Chemical Space"

Nigam et al. reported a genetic algorithm (GA) utilizing the SELFIES representation and also propose an adaptive, neural network-based penalty that is supposed to improve the diversity of the generated molecules. The main claims of the paper are that this GA outperforms other generative techniques (as measured by the penalized logP) and that a neural network-based adaptive penalty increases the diversity of the generated molecules. In this work, we investigated the reproducibility of their claims. Overall, we were able to reproduce comparable results using the SELFIES-based GA, but mostly by exploiting deficiencies of the (easily optimizable) fitness function (i.e., generating long, sulfur containing chains). In addition, we reproduce results showing that the discriminator can be used to bias the generation of molecules to ones that are similar to the reference set. Lastly, we attempted to quantify the evolution of the diversity, understand the influence of some hyperparameters, and propose improvements to the adaptive penalty.

Jablonka, Kevin Maik↗

Temperature dependence of nitrate-reducing Fe(II) oxidation by Acidovorax strain BoFeN1 – evaluating the role of enzymatic vs. abiotic Fe(II) oxidation by nitrite

ABSTRACT Fe(II) oxidation coupled to nitrate reduction is a widely observed metabolism. However, to what extent the observed Fe(II) oxidation is driven enzymatically or abiotically by metabolically produced nitrite remains puzzling. To distinguish between biotic and abiotic reactions, we cultivated the mixotrophic nitrate-reducing Fe(II)-oxidizing Acidovorax strain BoFeN1 over a wide range of temperatures and compared it to abiotic Fe(II) oxidation by nitrite at temperatures up to 60°C. The collected experimental data were subsequently analyzed through biogeochemical modeling. At 5°C, BoFeN1 cultures consumed acetate and reduced nitrate but did not significantly oxidize Fe(II). Abiotic Fe(II) oxidation by nitrite at different temperatures showed an Arrhenius-type behavior with an activation energy of 80±7 kJ/mol. Above 40°C, the kinetics of Fe(II) oxidation were abiotically driven, whereas at 30°C, where BoFeN1 can actively metabolize, the model-based interpretation strongly suggested that an enzymatic pathway was responsible for a large fraction (ca. 62%) of the oxidation. This result was reproduced even when no additional carbon source was present. Our results show that at below 30°C, i.e. at temperatures representing most natural environments, biological Fe(II) oxidation was largely responsible for overall Fe(II) oxidation, while abiotic Fe(II) oxidation by nitrite played a less important role.

Microbiology↗

A Framework for Deep Learning Emulation of Numerical Models With a Case Study in Satellite Remote Sensing

Numerical models based on physics represent the state of the art in Earth system modeling and comprise our best tools for generating insights and predictions. Despite rapid growth in computational power, the perceived need for higher model resolutions overwhelms the latest generation computers, reducing the ability of modelers to generate simulations for understanding parameter sensitivities and characterizing variability and uncertainty. Thus, surrogate models are often developed to capture the essential attributes of the full-blown numerical models. Recent successes of machine learning methods, especially deep learning (DL), across many disciplines offer the possibility that complex nonlinear connectionist representations may be able to capture the underlying complex structures and nonlinear processes in Earth systems. A difficult test for DL-based emulation, which refers to function approximation of numerical models, is to understand whether they can be comparable to traditional forms of surrogate models in terms of computational efficiency while simultaneously reproducing model results in a credible manner. A DL emulation that passes this test may be expected to perform even better than simple models with respect to capturing complex processes and spatiotemporal dependencies. Here, we examine, with a case study in satellite-based remote sensing, the hypothesis that DL approaches can credibly represent the simulations from a surrogate model with comparable computational efficiency. Our results are encouraging in that the DL emulation reproduces the results with acceptable accuracy and often even faster performance. We discuss the broader implications of our results in light of the pace of improvements in high-performance implementations of DL and the growing desire for higher resolution simulations in the Earth sciences.

Bayesian Deep Learning↗

ExaCA grain structure predictions for laser powder bed fusion processing

This dataset contains simulated cross-sections of laser powder bed fusion grain structures produced using the microstructure model ExaCA, in turn using time-temperature history data produced using the heat transport model AdditiveFOAM. These predictions show the grain structure using various permutations of hatch spacing and nucleation density. Also contained in the dataset are the input files necessary to reproduce the results. AdditiveFOAM (https://github.com/ORNL/AdditiveFOAM) and ExaCA (https://github.com/LLNL/ExaCA), both open source software, are required to reproduce the results in this dataset using the given input files. This DOI was updated 12/09/2025.

36 MATERIALS SCIENCE↗

Impact of mixed grain size sediment input on braided river Morphodynamics: Insights from experimental and numerical modeling

The rate of sediment supply has significant impacts on river morphology, making it crucial to understand the geomorphic changes and grain size distribution dynamics in rivers. However, the effects of varying grain size sediment input on morphological changes in braided channels remain poorly understood. This study is the first to investigate the bar development and sediment sorting processes in braided channels with non-uniform sediment inputs using both numerical and experimental approaches. We applied a two-dimensional numerical model, Nays2DH to confirm and generalize experimental results. The model reproduced key experiment results, including 1) stream elevation changes, and 2) grain size distribution. Using this validated model, we explored the morphological changes and sorting process in a braided river with sediment inputs. The numerical experiments demonstrate that sediment input controls the elevation of the stream bed and the grain size distribution. Notably, both the elevation and grain-size distribution become relatively stable in downstream of the channel. Additionally, the simulation results suggest that an increased sediment supply leads to greater channel complexity, with bed surface armoring decreasing.

Nays2DH↗

Field-aligned currents and ionospheric electric fields

It is shown that the observed distribution of the ionospheric electric field can be deduced from an equation combining Ohm's law with the current continuity equation by using the 'observed' distribution of field-aligned currents as the boundary condition for two models of the ionosphere. The first model has one conductive annular ring representing the quiet-time auroral precipitation belt; the second has two conductive annular rings that simulate the discrete and diffuse auroral regions. An analysis is performed to determine how well the electric-field distribution can be reproduced. The results indicate that the first model reproduces the Sq(p)-type distribution, the second model reproduces reasonably well a substorm-type potential and ionospheric current patterns together with the Harang discontinuity, and that the distribution of field-aligned currents is the same for both models.

Yasuhara, F.↗

HPC-driven computational reproducibility in numerical relativity codes: a use case study with IllinoisGRMHD

Abstract Reproducibility of results is a cornerstone of the scientific method. Scientific computing encounters two challenges when aiming for this goal. Firstly, reproducibility should not depend on details of the runtime environment, such as the compiler version or computing environment, so results are verifiable by third-parties. Secondly, different versions of software code executed in the same runtime environment should produceconsistent numerical results for physical quantities. In this manuscript, we test the feasibility of reproducing scientific results obtained using theIllinoisGRMHDcode that is part of an open-source community software for simulation in relativistic astrophysics, theEinstein Toolkit. We verify that numerical results of simulating a single isolated neutron star withIllinoisGRMHDcan be reproduced, and compare them to results reported by the code authors in 2015. We use two different supercomputers: Expanse at SDSC, and Stampede2 at TACC. By compiling the source code archived along with the paper on both Expanse and Stampede2, we find thatIllinoisGRMHDreproduces results published in its announcement paper up to errors comparable to round-off level changes in initial data parameters. We also verify that a current version ofIllinoisGRMHDreproduces these results once we account for bug fixes which have occurred since the original publication.

Astronomy & Astrophysics↗