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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
DOE OSTI2025

Neural Network Analysis of Nuclear Magnetic Resonance and Infrared Spectra

Nuclear magnetic resonance (NMR) spectroscopy and infrared (IR) spectroscopy are powerful chemical characterization techniques with broad general usage. However, the manual evaluation of the resulting spectra is time-consuming and requires significant expertise, preventing insights from being used in real-time applications. With recent advances in computation and artificial intelligence (AI), new tools are available for automating spectral interpretation. In this work, machine learning (ML) algorithms using 1-dimensional convolutional neural networks (CNNs) were applied to identify common functional groups from spectral information. Raw spectra were collected virtually from the Human Metabolome Database (HMDB) and National Institute of Standards and Technology (NIST) Chemistry WebBook and processed into a suitable standard. Algorithm design was tailored to best fit the nature of the problem, with built-in flexibility to accommodate relevant parameters beyond the raw spectral input, specifically solvent identity and magnetic frequency for NMR. The predictive capability of the algorithm in identifying functional groups is displayed in several examples. This methodology has been compiled into a code repository and could easily be modified to adapt alternative data sources, including other spectrum types. To mitigate overfitting, a common problem in mathematical modeling where overfamiliarity with training data produces trends that are not representative of the general data, a novel metric was developed, referred to as Accufit. Accufit includes a parameter that penalizes substantial differences in the training accuracy and the accuracy of an independent validation set. Examples are presented showing the effectiveness of Accufit in maintaining the model’s predictive capability while controlling the overfitting when used as a custom metric for hyperparameter tuning.

Sturgill, James↗
DOE OSTI2025

Performance Evaluation of Different Parallel Programming Models in SCALE-Shift Sequences for Criticality and Shielding Applications [Abstract]

The SCALE code system has been widely used for nuclear criticality safety, reactor physics, radiation shielding, source term generation, and inventory analyses by researchers, industry, and regulatory bodies. Although limited support for shared- and distributed-memory parallel processing was introduced via C++ threading, OpenMP, and MPI, a hybrid parallel programming model with both distributed- and shared-memory parallelism has not been fully supported in the SCALE code system.

Nuclear Criticality Safety Program (NCSP)↗
DOE OSTI2025

Transition of SRT Source Term Software to Modern Version Control System to Enable More Efficient Verification, Validation, and User Engagement

The Simplified Radionuclide Transport (SRT) code assists in reactor design and licensing by providing a detailed analysis of radionuclide transport under specific transient scenarios. This analysis is essential for ensuring that reactors meet safety and regulatory standards before they are authorized to operate. Mechanistic source term analysis, which involves a realistic evaluation of radionuclide behavior from the source to the environment, is a key component of this process. It provides a comprehensive understanding of potential release scenarios, supporting the development of robust safety measures.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2004

Digitally Synthesized Phased Antenna for Multibeam Global Positioning

In a system according to the proposed technique, the signal received by each element of the array antenna would be subjected to downconversion, and spread-spectrum demodulation and correlation as necessary; this processing would be performed separately from, and simultaneously with, similar processing of signals received by the other antenna elements. For the GPS implementation, following downconversion to baseband, the signals would be digitized, and all subsequent processing would be digital. In In the digital process, residual carriers would be removed and each signal would be correlated with a locally generated model pseudo random-noise code, all following normal GPS procedure. As part of this procedure, accumulated values would be added in software and the resulting signals would be phase-shifted in software by the amounts necessary to synthesize the desired antenna directional gain pattern of peaks and nulls. The principal advantage of this technique over the conventional radio-frequency-combining technique is that the parallel digital baseband processing of the signals from the various antenna elements would be a relatively inexpensive and flexible means for exploiting the inherent multiple-peak/multiple-null aiming capability of a phased-array antenna. In the original intended GPS application, the peaks and nulls could be directed independently for each GPS signal being tracked by the GPS receiver. This will improve the SNR simultaneously for each GPS signal being tracked while steering multiple nulls toward sources of interference. The technique could also be applied to other code-division multiple-access communication systems.

Charles E Dunn↗
NASA NTRS2004

Digitally synthesized phased antenna for multibeam global positioning

In a system according to the proposed technique (see figure), the signal received by each element of the array antenna would be subjected to downconversion, and spread-spectrum demodulation and correlation as necessary; this processing would be performed separately from, and simultaneously with, similar processing of signals received by the other antenna elements. For the GPS implementation, following downconversion to baseband, the signals would be digitized, and all subsequent processing would be digital. In the digital process, residual carriers would be removed and each signal would be correlated with a locally generated model pseudo random-noise code, all following normal GPS procedure. As part of this procedure, accumulated values would be added in software and the resulting signals would be phase-shifted in software by the amounts necessary to synthesize the desired antenna directional gain pattern of peaks and nulls. The principal advantage of this technique over the conventional radio-frequency-combining technique is that the parallel digital baseband processing of the signals from the various antenna elements would be a relatively inexpensive and flexible means for exploiting the inherent multiple-peak/multiple-null aiming capability of a phased-array antenna. In the original intended GPS application, the peaks and nulls could be directed independently for each GPS signal being tracked by the GPS receiver. This will improve the SNR simultaneously for each GPS signal being tracked while steering multiple nulls toward sources of interference. The technique could also be applied to other code-division multiple-access communication systems.

Dunn, Charles E.↗
NASA NTRS2022

Analysis of the MODIS Above-Cloud Aerosol Retrieval Algorithm Using MCARS

The Multi-sensor Cloud and Aerosol Retrieval Simulator (MCARS) presently produces synthetic radiance data from Goddard Earth Observing System version 5 (GEOS-5) model output as if the Moderate Resolution Imaging Spectroradiometer (MODIS) was viewing a combination of atmospheric column inclusive of clouds, aerosols and a variety of gases and land/ocean surface at a specific location. In this paper we use MCARS to study the MODIS Above-Cloud AEROsol retrieval algorithm (MOD06ACAERO). MOD06ACAERO is presently a regional research algorithm able to retrieve aerosol optical thickness over clouds, in particular absorbing biomass burning aerosols overlying marine boundary layer clouds in the Southeastern Atlantic Ocean. The algorithm’s ability to provide aerosol information in cloudy conditions makes it a valuable source of information for modeling and climate studies n an area where current clear sky-only operational MODIS aerosol retrievals effectively have a data gap between the months of June and October. We use MCARS for a verification and closure study of the MOD06ACAERO algorithm. The purpose of this study is to develop a set of constraints a model developer might use during assimilation of MOD06ACAERO data. Our simulations indicate that the MOD06ACAERO algorithm performs well for marine boundary layer clouds in the SE Atlantic provided some specific screening rules are observed. For the present study, a combination of five simulated MODIS data granules was used for a dataset of 13.5 million samples with known input conditions. When pixel retrieval uncertainty was less than 30%, optical thickness of the underlying cloud layer was greater than 4 and scattering angle range within the cloud bow was excluded, MOD06ACAERO retrievals agreed with the underlying ground truth (GEOS-5 cloud and aerosol profiles used to generate the synthetic radiances) with a slope of 0.913, offset of 0.06, and RMSE=0.107. When only near-nadir pixels were considered (view zenith angle within +/-20 degrees) the agreement with source data further improved (0.977, 0.051 and 0.096 respectively). Algorithm closure was examined using a single case out of the five 38 used for verification. For closure, the MOD06ACAERO code was modified to use GEOS-5 temperature and moisture profiles as ancillary. Agreement of MOD06ACAERO retrievals with source data for the closure study had a slope of 0.996 with offset -0.007 and RMSE of 0.097 at pixel uncertainty level of less than 40%, illustrating the benefits of high-quality ancillary atmospheric data for such retrievals.

MODIS↗
DOE OSTI2025

Benchmarking Monte Carlo codes for the modelling of low-energy neutron production target reactions

The increasing adoption of accelerator-based neutron sources (ABNS) for applications including neutron capture therapy (NCT) research has highlighted the need for accurate simulation tools. Precise modelling of the neutron production target is crucial to ensure that simulated predictions of neutron beam characteristics used for subsequent beam shaping assembly design are reliable. This work presents a comprehensive benchmarking of four widely-used Monte Carlo codes - Geant4, PHITS, FLUKA (CERN), and MCNP - for modelling low-energy neutron production target reactions. Using their recommended physics models and cross-section libraries, we evaluate each code’s performance in simulating four beam-target reactions: 7 Li(p,n) 7 Be, 9 Be(p,n) 9 B, 9 Be(d,n) 10 B, and C(d,n)N. Predictions of neutron yield, angular distributions, and energy spectra are compared against available thick target experimental data. Results show varying levels of agreement between the codes depending on the reaction type, energy range, and beam characteristics. Geant4, MCNP and PHITS are the overall best performing codes for the simulation of total neutron yield and yield in the forward direction across most reactions. Across energies where experimental benchmarks exist, inter-code discrepancies in total and forward-directed yield are typically 10 to 30%, with larger deviations at near-threshold incident ion energies. PHITS provides the best overall reproduction of experimental spectra, particularly for the 9 Be(p,n) 9 B reaction. Additionally, PHITS demonstrates superior computational performance for most reactions. These findings provide valuable guidance for ABNS design, highlighting the strengths and limitations of each code for the simulation of low-energy neutron production reactions.

43 PARTICLE ACCELERATORS↗
NASA NTRS1987

Design of source coders and joint source/channel coders for noisy channels

A theory behind a proposed joint source/channel coding approach is developed and a variable rate design approach which provides substantial improvement over current joint source/channel coder designs is obtained. The Rice algorithm as applied to the output of the Gamma Ray Detector of the Mars Orbiter is evaluated. An alternative algorithm is obtained which outperforms the Rice both in terms of data compression and noisy channel performance. A high-fidelity low-rate image compression algorithm is developed which provides almost distortionless compression of high resolution images.

Sayood, Khalid↗
NASA NTRS2014

Modeling and Prediction of the Noise from Non-Axisymmetric Jets

The new source model was combined with the original sound propagation model developed for rectangular jets to produce a new version of the rectangular jet noise prediction code. This code was validated using a set of rectangular nozzles whose geometries were specified by NASA. Nozzles of aspect ratios two, four and eight were studied at jet exit Mach numbers of 0.5, 0.7 and 0.9, for a total of nine cases. Reynolds-averaged Navier-Stokes solutions for these jets were provided to the contactor for use as input to the code. Quantitative comparisons of the predicted azimuthal and polar directivity of the acoustic spectrum were made with experimental data provided by NASA. The results of these comparisons, along with a documentation of the propagation and source models, were reported in a journal article publication (Ref. 4). The complete set of computer codes and computational modules that make up the prediction scheme, along with a user's guide describing their use and example test cases, was provided to NASA as a deliverable of this task. The use of conformal mapping, along with simplified modeling of the mean flow field, for noise propagation modeling was explored for other nozzle geometries, to support the task milestone of developing methods which are applicable to other geometries and flow conditions of interest to NASA. A model to represent twin round jets using this approach was formulated and implemented. A general approach to solving the equations governing sound propagation in a locally parallel nonaxisymmetric jet was developed and implemented, in aid of the tasks and milestones charged with selecting more exact numerical methods for modeling sound propagation, and developing methods that have application to other nozzle geometries. The method is based on expansion of both the mean-flowdependent coefficients in the governing equation and the Green's function in series of orthogonal functions. The method was coded and tested on two analytically prescribed mean flows which were meant to represent noise reduction concepts being considered by NASA. Testing (Ref. 5) showed that the method was feasible for the types of mean flows of interest in jet noise applications. Subsequently, this method was further developed to allow use of mean flow profiles obtained from a Reynolds-averaged Navier-Stokes (RANS) solution of the flow. Preliminary testing of the generalized code was among the last tasks completed under this contract. The stringent noise-reduction goals of NASA's Fundamental Aeronautics Program suggest that, in addition to potentially complex exhaust nozzle geometries, next generation aircraft will also involve tighter integration of the engine with the airframe. Therefore, noise generated and propagated by jet flows in the vicinity of solid surfaces is expected to be quite significant, and reduced-order noise prediction tools will be needed that can deal with such geometries. One important source of noise is that generated by the interaction of a turbulent jet with the edge of a solid surface (edge noise). Such noise is generated, for example, by the passing of the engine exhaust over a shielding surface, such as a wing. Work under this task supported an effort to develop a RANS-based prediction code for edge noise based on an extension of the classical Rapid Distortion Theory (RDT) to transversely sheared base flows (Refs. 6 and 7). The RDT-based theoretical analysis was applied to the generic problem of a turbulent jet interacting with the trailing edge of a flat plate. A code was written to evaluate the formula derived for the spectrum of the noise produced by this interaction and results were compared with data taken at NASA Glenn for a variety of jet/plate configurations and flow conditions (Ref. 8). A longer-term goal of this task was to work toward the development of a high-fidelity model of sound propagation in spatially developing non-axisymmetric jets using direct numerical methods for solving the relevant equations. Working with NASA Glenn Acoustics Branch personnel, numerical methods and boundary conditions appropriate for use in a high-resolution calculation of the full equations governing sound propagation in a steady base flow were identified. Computer codes were then written (by NASA) and tested (by OAI) for an increasingly complex set of flow conditions to validate the methods. The NASA-supplied codes were ported to the High-End Computing resources of the NASA Advanced Supercomputing facility for testing and validation against analytical (where possible) and independent numerical solutions. The cases which were completed during the course of this contract were solutions of the two-dimensional linearized Euler equations with no mean flow, a uniform mean flow and a nonuniform mean flow representative of a parallel flow jet.

Leib, Stewart J.↗
NASA NTRS2019

Cumulus: A Community of Collaboration

Cumulus is an open source platform used for ingesting and maintaining archives in the cloud. Sharing and maximizing code re-use are pillars of Cumulus development. Cumulus aims to promote collaboration within the community. This presentation will dive into the principles of Cumulus development, both within the team and the community.

Cumulus↗
NASA NTRS2016

Imaging Analysis of the Hard X-Ray Telescope ProtoEXIST2 and New Techniques for High-Resolution Coded-Aperture Telescopes

Wide-field (greater than or approximately equal to 100 degrees squared) hard X-ray coded-aperture telescopes with high angular resolution (greater than or approximately equal to 2 minutes) will enable a wide range of time domain astrophysics. For instance, transient sources such as gamma-ray bursts can be precisely localized without the assistance of secondary focusing X-ray telescopes to enable rapid followup studies. On the other hand, high angular resolution in coded-aperture imaging introduces a new challenge in handling the systematic uncertainty: the average photon count per pixel is often too small to establish a proper background pattern or model the systematic uncertainty in a timescale where the model remains invariant. We introduce two new techniques to improve detection sensitivity, which are designed for, but not limited to, a high-resolution coded-aperture system: a self-background modeling scheme which utilizes continuous scan or dithering operations, and a Poisson-statistics based probabilistic approach to evaluate the significance of source detection without subtraction in handling the background. We illustrate these new imaging analysis techniques in high resolution coded-aperture telescope using the data acquired by the wide-field hard X-ray telescope ProtoEXIST2 during a high-altitude balloon flight in fall 2012. We review the imaging sensitivity of ProtoEXIST2 during the flight, and demonstrate the performance of the new techniques using our balloon flight data in comparison with a simulated ideal Poisson background.

balloons - instrumentation: detectors - techniques↗
NASA NTRS1980

Destruction of N/2D/ by O2 - A major source of 6300 A dayglow emission

The paper discusses the N(2D) + O2 yields NO + O(1D), for k1 reaction, and examines under different geophysical conditions, the effect of this source of 6300 A surface brightness on the dayglow redline. In calculating the 6300 A volume emission rate, a computer code is used which provides the thermal electron density, photoelectron flux, ion concentrations, electron and ion temperatures and odd nitrogen densities required to evaluate the O(1D) sources and sinks. It is found that under most conditions this source is the dominant mechanism responsible for the production of the 6300 A dayglow above 150 km. The volume emission rate of this source in summer is 2.5 times larger than the sum of all other sources at 180 km, and 1.5 times as large in winter. In addition, when the N(2D) source of O(1D) is taken into account, the rate coefficient for quenching of O(1D) by N2 is estimated to be 4 plus or minus 1 x 10 to the -11th cu cm per sec.

Torr, D. G.↗
DOE OSTI2024

ARPA-E Grid Optimization (GO) Competition Challenge 1

The ARPA-E Grid Optimization (GO) Competition Challenge 1, from 2018 to 2019, focused on the basic Security Constrained AC Optimal Power Flow problem (SCOPF) for a single time period. The Challenge utilized sets of unique datasets generated by the ARPA-E GRID DATA program. Each dataset consisted of a collection of power system network models of different sizes with associated operating scenarios (snapshots in time defining instantaneous power demand, renewable generation, generator and line availability, etc.). The datasets were of two types: Real-Time, which included starting-point information, and Online, which did not. Week-Ahead data is also provided for some cases but was not used in the Competition. Although most datasets were synthetic and generated by GRIDDATA, a few came from industry and were only used in the Final Event. All synthetic Input Data and Team Results for the GO Competition Challenge 1 for the Sandbox, Trial Events 1 to 3, and the Final Event along with problem, format, scoring and rules descriptions are available here. Data for industry scenarios will not be made public. Challenge 1, a minimization problem, required two computational steps. Solver 1 or Code 1 solved the base SCOPF problem under a strict wall clock time limit, as would be the case in industry, and reported the base case operating point as output, which was used to compute the Objective Function value that was used as the scenario score. The feasibility of the solution was provided by the Solver 2 or Code 2, which solves the power flow problem for all contingencies based on the results from Solver 1. This is not normally done in industry, so the time limits were relaxed. In fact, there were no time limits for Trial Event 1. This proved to be a mistake, with some codes running for more than 90 hours, and a time limit of 2 seconds per contingency was imposed for all other events. Entrants were free to use their own Solver 2 or use an open-source version provided by the Competition. Containers, such as Docker, were considered to improve the portability of codes, but none that could reliably support a multi-node parallel computing environment, e.g., MPI, could be found. For more information on the competition and challenge see the "GO Competition Challenge 1 Information" and "GO Competition Challenge 1 Additional Information" resources below.

ACOPF↗
DOE OSTI2025

Coded-mask-based wavefront sensing technique for APS nanofocusing beamline diagnostics

Here, we extend our recently developed coded-mask wavefront sensing technique to enable single-shot measurements of nanofocused x-ray beams. This method accurately reconstructs the focal beam profile by backpropagating the wavefront measured downstream of the beam focus. To validate its performance, we benchmarked it against the conventional fluorescence wire scan method, successfully measuring ∼120 nm focal spots at the 28-ID-B beamline of the Advanced Photon Source using a polymeric compound refractive lens. The results highlight the effectiveness of coded-mask wavefront sensing for high-precision beam profiling and its application as a real-time wavefront monitoring tool.

Shi, Xianbo [Argonne National Laboratory (ANL), Ar↗
NASA NTRS1997

Computation of Reacting Flows in Combustion Processes

The main objective of this research was to develop an efficient three-dimensional computer code for chemically reacting flows. The main computer code developed is ALLSPD-3D. The ALLSPD-3D computer program is developed for the calculation of three-dimensional, chemically reacting flows with sprays. The ALL-SPD code employs a coupled, strongly implicit solution procedure for turbulent spray combustion flows. A stochastic droplet model and an efficient method for treatment of the spray source terms in the gas-phase equations are used to calculate the evaporating liquid sprays. The chemistry treatment in the code is general enough that an arbitrary number of reaction and species can be defined by the users. Also, it is written in generalized curvilinear coordinates with both multi-block and flexible internal blockage capabilities to handle complex geometries. In addition, for general industrial combustion applications, the code provides both dilution and transpiration cooling capabilities. The ALLSPD algorithm, which employs the preconditioning and eigenvalue rescaling techniques, is capable of providing efficient solution for flows with a wide range of Mach numbers. Although written for three-dimensional flows in general, the code can be used for two-dimensional and axisymmetric flow computations as well. The code is written in such a way that it can be run in various computer platforms (supercomputers, workstations and parallel processors) and the GUI (Graphical User Interface) should provide a user-friendly tool in setting up and running the code.

Keith, Theo G., Jr.↗
NASA NTRS1971

Modification of codes NUALGAM and BREMRAD, Volume 1

The NUGAM2 code predicts forward and backward angular energy differential and integrated distributions for gamma photons and fluorescent radiation emerging from finite laminar transport media. It determines buildup and albedo data for scientific research and engineering purposes; it also predicts the emission characteristics of finite radioisotope sources. The results are shown to be in very good agreement with available published data. The code predicts data for many situations in which no published data is available in the energy range up to 5 MeV. The NUGAM3 code predicts the pulse height response of inorganic (NaI and CsI) scintillation detectors to gamma photons. Because it allows the scintillator to be clad and mounted on a photomultiplier as in the experimental or industrial application, it is a more practical and thus useful code than others previously reported. Results are in excellent agreement with published Monte Carlo and experimental data in the energy range up to 4.5 MeV.

Steyn, J. J.↗
DOE OSTI2024

Multiphysics modeling of accelerators through code integration

This work aims to improve the ability of particle accelerator researchers to develop high-performance accelerator cavity designs by creating an overall multiphysics framework that integrates and couples existing application codes. This framework will allow accelerator researchers to build multiphysics models that will optimize cavity design, improve understanding of whole-device performance, and reduce the development and fabrication costs of accelerator research. We utilize the open-source VizSchema data standard as an intermediate data structure interface layer to standardize interfaces between individual application codes. VizScema is extensively documented online, and plugins for VizSchema are available for popular visualization packages, including VisIt and ParaView. Currently, the work focuses on coupling the EM field solver COMSOL and the electron gun code MICHELLE to allow COMSOL field-solve results to be seamlessly used by MICHELLE for particle-solve. Later work will extend this integration to include other fields, particles, and thermodynamics simulation codes.

43 PARTICLE ACCELERATORS↗
NASA NTRS2018

F Prime: An Open-Source Framework for Small-Scale Flight Software Systems

Developing flight software for small-scale missions such as CubeSats and SmallSats is challenging. These missions typically have ambitious goals, modest budgets, and tight schedules. To meet these challenges, a good flight software framework is essential. Frameworks can provide an architecture, infrastructure, tools, and reusable software components, all of which can help developers deliver their code on time and on budget. In this paper we present F Prime, a free, open-source flight software framework developed at JPL and tailored to small-scale systems such as CubeSats, SmallSats, and instruments. F Prime comprises several elements: (1) an architecture that decomposes flight software into discrete components with well-defined interfaces; (2) a C++ framework that provides core capabilities such as message queues and threads; (3) tools for specifying components and connections and automatically generating code; (4) a growing collection of ready-to-use components; and (5) tools for testing flight software at the unit and integration levels.We describe the F Prime framework and tools and present our experience using them. We describe several enhancements to the framework currently underway in the areas of software design, software verification, and ground data systems for testing.

Levison, Jeffrey W.↗