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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Interpretation of Lidar and Satellite Data Sets Using a Global Photochemical Model

A primary goal of the NASA Tropospheric Chemistry Program (TCP) is to "contribute substantially to scientific understanding of human impacts on the global troposphere". In order to analyze global or regional trends and factors of the troposphere chemistry, for example, its oxidation capacity or composition, a continuous global/regional data coverage as well as model simulations are needed. The Global Tropospheric Experiment (GTE), a major component of the TCP, provides data vital to these questions via aircraft measurement of key trace chemical species in various remote regions of the world. Another component in NASA's effort are satellite projects for exploration of tropospheric chemistry and dynamics. A unique data product is the Tropospheric Ozone Residual (TOR) utilizing global tropospheric ozone data. Another key research tool are simulation studies of atmospheric chemistry and dynamics for the theoretical understanding of the atmosphere, the extrapolation of observed trends, and for sensitivity studies assessing a changing anthropogenic impact to air chemistry and climate. In the context with model simulations, field data derived from satellites or (airborne) field missions are needed for two purposes: 1. To initialize and validate model simulations, and 2., to interpret field data by comparison to model simulation results in order to analyze global or regional trends and deviations from standard tropospheric chemistry and transport conditions as defined by the simulations. Currently, there is neither a sufficient global data coverage available nor are existing well established global circulation models. The NASA LARC CTM model is currently not yet in a state to accomplish a sufficient tropospheric chemistry simulation, so that the current research under this cooperative agreement focuses on utilizing field data products for direct interpretation. They will be also available for model testing and a later interpretation with a finally utilized model.

Zenker, Thomas↗
DOE OSTI2020

Benchmark problems for the Me soscale M ultiphysics Ph ase F i eld S imulator (MEMPHIS)

This report details the current benchmark results to verify, validate and demonstrate the capabilities of the in-house multi-physics phase-field modeling framework Me soscale M ultiphysics Ph ase F i eld S imulator (MEMPHIS) developed at the Center for Integrated Nanotechnologies (CINT). MEMPHIS is a general phase-field capability to model various nanoscience and materials science phenomena related to microstructure evolution. MEMPHIS has been benchmarked against a suite of reported 'classical' phase-field benchmark problems to verify and validate the correctness, accuracy and precision of the models and numerical methods currently implemented into the code.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1990

Some far-field acoustics characteristics of the XV-15 tilt-rotor aircraft

Far-field acoustics tests have been conducted on an instrumented XV-15 tilt-rotor aircraft. The purpose of these acoustic measurements was to create an encompassing, high confidence (90 percent), and accurate (-1.4/ +1/8 dB theoretical confidence interval) far-field acoustics data base to validate ROTONET and other current rotorcraft noise prediction computer codes. This paper describes the flight techniques used, with emphasis on the care taken to obtain high-quality far-field acoustic data. The quality and extensiveness of the data base collected are shown by presentation of ground acoustic contours for level flyovers for the airplane flight mode and for several forward velocities and nacelle tilts for the transition mode and helicopter flight mode. Acoustic pressure time-histories and fully analyzed ensemble averaged far-field data results (spectra) are shown for each of the ground contour cases.

Golub, Robert A.↗
DOE OSTI2026

The Compilation and Validation of the Spectroscopic Redshift Catalogs for the DESI-COSMOS and DESI-XMM-LSS Fields

Over several dedicated programs that include targets beyond the main cosmological samples, the Dark Energy Spectroscopic Instrument collected spectra for 304,970 unique objects in two fields centered on the COSMOS and XMM-LSS fields. In this work, we develop spectroscopic redshift robustness criteria for those spectra, validate these criteria using visual inspection, and provide two custom value-added catalogs with our redshift characterizations. With these criteria, we reliably classify 212,935 galaxies below z < 1.6, 9713 quasars, and 35,222 stars. The resulting catalogs achieve a redshift purity exceeding 99.4% across all galaxy samples. As a critical element in characterizing the selection function, we provide the description of 70 different algorithms that were used to select these targets from imaging data. To facilitate joint imaging/spectroscopic analyses, we provide row-matched photometry from the Dark Energy Camera, Hyper-Suprime Cam, and public COSMOS2020 photometric catalogs. Finally, we demonstrate example applications of these large catalogs to photometric redshift estimation, cluster finding, and completeness studies.

Ratajczak, J. [Univ. of Utah, Salt Lake City, UT (↗
NASA NTRSDate not supplied

Reanalysis of Fly's Eye GLM Simulator (FEGS) Optical Pulse Detections from the 2017 GOES-R Post Launch Test (GOES-R PLT) Field Campaign

In 2017, the GOES-R PLT field campaign was conducted to validate new instruments on board GOES-16, including the Geostationary Lightning Mapper (GLM). A NASA ER-2 high altitude aircraft was equipped with a sensor suite including FEGS and an electric field change meter (EFCM) for complementary observations of lightning. As part of a modern reanalysis, we plan to combine aircraft and ground observations from the lightning instrumentation and polarimetric Doppler radars for a more complete characterization of optical lightning measurements in the context of convective properties. This presentation focuses on our initial efforts which include a reanalysis of the FEGS multi-spectral optical waveforms using an updated pulse detection algorithm and a comparison of detected pulses with coincident EFCM and Lightning Mapping Array (LMA) data. We will present on characteristics of discharge processes including leaders, strokes, and continuing current signatures as observed by the suite of aircraft and ground-based lightning instrumentation.

T Daniel Walker↗
DOE OSTI2026

Prime Time for Model-Predictive Control? Assessing the Technical and Market Readiness of Advanced Controls in Buildings

Despite three decades of extensive research and field testing that have consistently validated the benefits of Model Predictive Control (MPC) in building applications, the technology has seen limited market adoption. This paper evaluates the readiness of MPC for widespread deployment, showcases recent demonstrations and field tests across diverse building types, including residential, small commercial, large commercial, and campus settings. Our results demonstrate that MPC can optimize system operations to achieve load shifting, minimize curtailment of on-site generation, and reduce energy costs by up to 80 %, while maintaining or improving occupant comfort. We also show that MPC can effectively control large assets, such as MW-sized thermal storage systems, and respond to dynamic pricing signals. However, achieving scale remains difficult due to labor-intensive workflows, reliance on a “PhD-in-the-loop” for MPC design and maintenance, susceptibility to fragile data infrastructure, and persistent workforce education and acceptance barriers. To bridge this gap, we outline a transition from bespoke, labor intensive prototypes toward streamlined, segment-targeted deployment strategies that leverage model templates, semantic tools, and generative AI. By automating control configuration and reducing engineering effort, these recommendations provide a pathway for transforming successful research demonstrations into scalable, market ready solutions for MPC-based controls.

Pritoni, Marco↗
NASA NTRS1996

Communication Problems in Requirements Engineering: A Field Study

The requirements engineering phase of software development projects is characterized by the intensity and importance of communication activities. During this phase, the various stakeholders must be able to communicate their requirements to the analysts, and the analysts need to be able to communicate the specifications they generate back to the stakeholders for validation. This paper describes a field investigation into the problems of communication between disparate communities involved in the requirements specification activities. The results of this study are discussed in terms of their relation to three major communication barriers: (1) ineffectiveness of the current communication channels; (2) restrictions on expressiveness imposed by notations; and (3) social and organizational barriers. The results confirm that organizational and social issues have great influence on the effectiveness of communication. They also show that in general, end-users find the notations used by software practitioners to model their requirements difficult to understand and validate.

Al-Rawas, Amer↗
DOE OSTI2020

Benchmark problems for the Mesoscale Multiphysics Phase Field Simulator (MEMPHIS)

This report details the current benchmark results to verify, validate and demonstrate the capabilities of the in-house multi-physics phase-field modeling framework Mesoscale Multiphysics Phase Field Simulator (MEMPHIS) developed at the Center for Integrated Nanotechnologies (CINT). MEMPHIS is a general phase-field capability to model various nanoscience and materials science phenomena related to microstructure evolution. MEMPHIS has been benchmarked against a suite of reported classical phase-field benchmark problems to verify and validate the correctness, accuracy and precision of the models and numerical methods currently implemented into the code.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Harnessing Uncertainty through Functional Data Analysis in Gas Breakthrough Data

Detecting subsurface explosions from radionuclide gas migration through rock fractures is an effective way to identify nuclear activity. Los Alamos National Laboratory (LANL) has developed simulation methods, based on data from the 1962 Hardhat underground nuclear test, to predict gas breakthrough times at the surface. However, these methods rely on an imperfect understanding of the relationship between rock damage and fracture permeability. Our clinic project studies methods for predicting breakthrough curves that characterize total mass produced as a function of time, as well as quantifying the uncertainty associated with these predictions. The model that is currently employed to relate damage to permeability uses an empirically motivated power-law expression, with a range of parameter values that are compatible with the experimental Hardhat data. We develop emulators, built from functional data analysis techniques and trained on simulation data, that rapidly predict the gas breakthrough curve given a damage field and given the parameter values of the power-law equation. Using Bayesian regression, we address the problem of uncertainty quantification in our emulators. Finally, in order to test the robustness of the model, we further validate it on a damage field representing different physical conditions.

58 GEOSCIENCES↗
NASA NTRS1984

Near field to far field transformations and multiple beam forming and steering

The feasibility of acoustic verification of microwave near field to far field transformation algorithms using the Phased Array Sonic Simulation System was studied. Existing electromagnetic near field measurement techniques and transformation algorithms (equations) were investigated. It was analytically determined that acoustic verification is valid. Acoustic simulation of electromagnetic near field to far field transformations is emphasized. The acoustic simulation of electromagnetic near field to far field transformation is verified for the modal expansion method. In the modal expansion method, data from antenna near field measurements are converted to a summation or spectrum of modes corresponding to wave numbers in the measurement coordinate system. Fourier transformation of those measurements preserves the far field information in a spectral form that is then readily extractable.

Source record↗
NASA NTRS2017

Evaluating the Acoustic Benefits of Over-the-Rotor Acoustic Treatments Installed on the Advanced Noise Control Fan

Over the last 15 years, over-the-rotor acoustic treatments have been evaluated by NASA with varying success. Recently, NASA has been developing the next generation of over-the-rotor acoustic treatments for fan noise reduction. The NASA Glenn Research Centers Advanced Noise Control Fan was used as a Low Technology Readiness Level test bed. A rapid prototyped in-duct array consisting of 50 microphones was employed, and used to correlate the in-duct analysis to the far-field acoustic levels and to validate an existing beam-former method. The goal of this testing was to improve the Technology Readiness Level of various over-the-rotor acoustic treatments by advancing the understanding of the physical mechanisms and projecting the far-field acoustic benefit.

Fan noise↗
NASA NTRS1993

Accurate Quartic Force Fields and Vibrational Frequencies for HCN and HNC

The quartic force fields of HCN and HNC are determined using atomic natural orbital one-particle basis sets of spdf/spd and spdfg/spdf quality in conjunction with the CCSD(T) electron correlation method (singles and doubles coupled-cluster theory plus a perturbational estimate of the effects of connected triple excitations). The HCN force field is in good agreement with a recent experimentally derived force field and also with the force field recently computed by Wong and Bacskay. On the basis of the good agreement obtained for HCN, it is argued that the ab initio quartic force field for HNC is superior to a prior force field derived from experiment. The harmonic frequencies of HNC are predicted to be 3822 +/- 10,472 +/- 5, and 2051 +/-10/cm for omega1, omega2, and omega3, respectively; the experimentally derived values are above these values and fall outside the estimated uncertainties. Using the quartic force field, spectroscopic constants are predicted for HNC based on a vibrational second-order perturbation theory analysis. It is also asserted that the gas-phase fundamental v(sub 3) for HNC is slightly lower than the matrix isolation value. The range of validity of the quartic force fields is investigated by comparison of variational vibrational energies computed with the quartic force fields to those obtained from our recently reported global HCN/HNC potential energy surface and also to experimental data.

Lee, Timothy J.↗
NASA NTRS1993

Accurate Quartic Force Fields and Vibrational Frequencies for HCN and HNC

The quartic force fields of HCN and HNC are determined using atomic natural orbital one-particle basis sets of spdf/spd and spdfg/spdf quality in conjunction with the CCSD(T) electron correlation method (singles and doubles coupled-cluster theory plus a perturbation estimate of the effects of connected triple excitations). The HCN force field is in good agreement with a recent experimentally derived force field and also with the force field recently computed by Wong and Bacskay. On the basis of the good agreement obtained for HCN, it is argued that the ab initio quartic force field for HNC is superior to a prior force field derived from experiment. The harmonic frequencies of HNC are predicted to be 3822 +/- 10, 472 +/- 5, and 2051 +/- 10 cm(exp -1) for omega(sub 1), omega(sub 2), and omega(sub 3), respectively; the experimentally derived values are above these values and fall outside the estimated uncertainties. Using the quartic force field, spectroscopic constants are predicted for HNC based on a vibrational second-order perturbation theory analysis. It is also asserted that the gas-phase fundamental nu(sub 3) for HNC is slightly lower than the matrix isolation value. The range of validity of the quartic force fields is investigated by comparison of variational vibrational energies computed with the quartic force fields to those obtained from our recently reported global HCN/HNC potential energy surface and also to experimental data.

Lee, Timothy J.↗
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

Interpretable Deep Learning for Advancing Field-Enhanced Catalysis

This DOE Early Career project developed a physics-informed, interpretable AI-and-modeling framework to understand and exploit electric-field effects in heterogeneous catalysis, with ammonia cracking and synthesis as a representative pathway. The team built and validated methods to map local electric fields on metal surfaces and nanoparticles, showing that low-coordination features (tips/edges/corners) can concentrate fields by several-fold relative to flat facets. Using DFT-generated datasets, the project created physics-guided machine learning models that rapidly predict local electric fields and field-dependent adsorption energetics with near-DFT accuracy while reducing computational cost by orders of magnitude. These predictions were integrated with microkinetic modeling to quantify how field-dipole interactions reshape reaction energetics and mechanisms, enabling large increases in predicted catalytic rates and substantial reductions in operating temperature under favorable field conditions. To accelerate discovery of earth-abundant catalysts, the project combined interpretable ML screening (with electronic-structure descriptors identified as key drivers) with a generative inverse-design workflow based on diffusion models and physics constraints. The resulting closed-loop approach, linking simulation, mechanistic modeling, and AI, provides reusable tools and datasets for designing catalysts and operating conditions in field-enhanced catalysis, with broad relevance to electrostatic catalysis, plasma catalysis, electrocatalysis, and other energy-related chemical transformations.

30 DIRECT ENERGY CONVERSION↗
NASA NTRS1983

A stochastic-dynamic model for the spatial structure of forecast error statistics

The present investigation is concerned with the presentation of a simplified model of the spatial structure of forecast error statistics, a comparison of the model with actual numerical weather prediction results, and the extent to which simplifying assumptions made in the model are justified. A stochastic-dynamic model is derived for the spatial structure of the global atmospheric mass-field forecast error. The model states that the relative potential vorticity of the forecast error is random. The covariance function of the model's solutions is found to be governed by a simple deterministic equation. The agreement between the stochastic model and actual mass-field forecast errors fields for 12-36 h periods validates the assumptions on which the model is derived. Within this period, the difference between the potential voriticity fields of the atmosphere and of the numerical forecasts used in the comparison is well represented by white noise.

Balgovind, R.↗