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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Finding Liebig’s law of the minimum

Abstract Liebig’s law of the minimum (LLM) is often used to interpret empirical biological growth data and model multiple substrates co‐limited growth. However, its mechanistic foundation is rarely discussed, even though its validity has been questioned since its introduction in the 1820s. Here we first show that LLM is a crude approximation of the law of mass action, the state of art theory of biochemical reactions, and the LLM model is less accurate than two other approximations of the law of mass action: the synthesizing unit model and the additive model. We corroborate this conclusion using empirical data sets of algae and plants grown under two co‐limiting substrates. Based on our analysis, we show that when growth is modeled directly as a function of substrate uptake, the LLM model improperly restricts the organism to be of fixed elemental stoichiometry, making it incapable of consistently resolving biological adaptation, ecological evolution, and community assembly. When growth is modeled as a function of the cellular nutrient quota, the LLM model may obtain good results at the risk of incorrect model parameters as compared to those inferred from the more accurate synthesizing unit model. However, biogeochemical models that implement these three formulations are needed to evaluate which formulation is acceptably accurate and their impacts on predicted long‐term ecosystem dynamics. In particular, studies are needed that explore the extent to which parameter calibration can rescue model performance when the mechanistic representation of a biogeochemical process is known to be deficient.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Atomistic modeling of energy band alignment in CdTe(1 0 0) and CdTe(1 1 1) surfaces

An atomic-scale perspective of energy band alignment in CdTe surfaces has not been spatially studied despite the major role surfaces play in forming interfaces within CdTe-based thin film photovoltaic devices. Atomistic modeling based on density functional theory coupled with surface Green’s function is used for calculating energy band alignment of CdTe surfaces. The CdTe(1 0 0) ((1×1) and c(2×2) reconstruction) and CdTe(1 1 1) ((1×1) and (2×2) reconstruction) facets without and with surface relaxation provide insightful band bending characteristics that influence charge carrier transport. Results show that unrelaxed (1×1) CdTe(1 0 0) and CdTe(1 1 1) surfaces bend the valence band downward with surface polarity dictating the surface potential magnitude. The reconstructed CdTe(1 0 0) c(2×2) and CdTe(1 1 1) (2×2) surfaces result in favorable surface electronic features in relation to their unreconstructed variants. In addition, the structurally relaxed CdTe(1 1 1) surfaces develop an internal energy cusp potential that may enhance hole charge transport toward the back of CdTe solar cell devices. In conclusion, energy band alignments calculated within the study lead to a detailed understanding of how CdTe surfaces may affect CdTe-based thin film photovoltaic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Learning Optimal Power Flow Solutions using Linearized Models in Power Distribution Systems

Solving nonlinear optimal power flow (OPF) problem is computationally expensive, and poses scalability challenges for power distribution networks. An alternative to solving the original nonlinear OPF is the linear approximated OPF models. Although, these linear approximated OPF models are fast, the resulting solutions may result in significant optimality gap. Lately, the application of machine learning (ML) methods in successfully solving the nonlinear OPF has been reported. These methods learn and estimate the nonlinear control policies using a purely data-driven approach. In this paper, we propose an approach to complements the ML based approach to solving OPF using solutions from known linearized OPF model. Specifically, we use supervised learning to map the solutions of linear OPF to nonlinear control variables. Unlike, the traditional ML based methods for OPF that approximate the full distribution feeder model using function approximation, our approach uses a two-node approximation of radial networks. The proposed approach is validated using IEEE 123 bus test system for OPF solutions obtained using the nonlinear OPF models.

optimal power flow, power distribution systems, su↗
NASA NTRS2004

A New Approach to Using a Cloud-Resolving Model to Study the Interactions between Clouds, Precipitation and Aerosols

Recently Grabowski and Khairoutdinov and Randall have proposed and demonstrated, the feasibility of using 2D CRMs (these did not include detailed land processes and used periodic lateral boundary conditions) as 'super-parameterizations or a multi-scale modeling framework MMF' for cloud processes within atmospheric generation circulation models (GCMs). In the MMF, a fine-resolution 2D CRM takes the place of the single-column parameterization that is used in conventional GCMs. An overview of this approach is given by Randall et al.. Since a CRM can explicitly simulate cloud processes at the natural space and time scales of clouddynamical processes, it's possible to compute statistics of cloud fields, including radiances and radar backscatters, directly simulated/produced by the CRM. A seed fund is available at NASA Goddard to build a MMF based on a 2D GCE model and the Goddard fvGCM. A prototype MMF will be developed at end of 2004. The major objectives are to test and evaluate its performance using the GCE model as the super parameterization and compare its results with other super parameterizations, conventional GCMs and observations. Recently, a detailed spectral-bin microphysical scheme was implemented into the Goddard Cumulus Ensemble (WE) model. The GCE model is a CRM and it has been improved and applied to study the precipitation processes in the past two decades. Atmospheric aerosols are also described using number density size-distribution functions. The model is tested by studying the evolution of deep tropical clouds in the west Pacific warm pool region and summertime convection over a mid-latitude continent with different concentrations of CCN: a low 'clean' concentration and a high 'dirty' concentration. The impact of atmospheric aerosol concentration on cloud and precipitation will be investigated. In addition, the similarities and differences between bulk- and spectral-bin microphysics will be presented,

Tao, Wei-Kuo↗
NASA NTRS1997

Utility of BRDF Models for Estimating Optimal View Angles in Classification of Remotely Sensed Images

Statistical classification of remotely sensed images attempts to discriminate between surface cover types on the basis of the spectral response recorded by a sensor. It is well known that surfaces reflect incident radiation as a function of wavelength producing a spectral signature specific to the material under investigation. Multispectral and hyperspectral sensors sample the spectral response over tens and even hundreds of wavelength bands to capture the variation of spectral response with wavelength. Classification algorithms then exploit these differences in spectral response to distinguish between materials of interest. Sensors of this type, however, collect detailed spectral information from one direction (usually nadir); consequently, do not consider the directional nature of reflectance potentially detectable at different sensor view angles. Improvements in sensor technology have resulted in remote sensing platforms capable of detecting reflected energy across wavelengths (spectral signatures) and from multiple view angles (angular signatures) in the fore and aft directions. Sensors of this type include: the moderate resolution imaging spectroradiometer (MODIS), the multiangle imaging spectroradiometer (MISR), and the airborne solid-state array spectroradiometer (ASAS). A goal of this paper, then, is to explore the utility of Bidirectional Reflectance Distribution Function (BRDF) models in the selection of optimal view angles for the classification of remotely sensed images by employing a strategy of searching for the maximum difference between surface BRDFs. After a brief discussion of directional reflect ante in Section 2, attention is directed to the Beard-Maxwell BRDF model and its use in predicting the bidirectional reflectance of a surface. The selection of optimal viewing angles is addressed in Section 3, followed by conclusions and future work in Section 4.

Valdez, P. F.↗
DOE OSTI2024

Statistical analysis of magnetic divertor configuration influence on H-mode transitions

DIII-D plasmas are compared for two upper divertor configurations: with the outer strike point on the small angle slot (SAS) divertor target and with the outer strike point on the horizontal divertor target (HT). Scanning the vertical distance between the magnetic null point and the divertor target over a range 0.10–0.16 m is shown to increase the threshold power, $P_\mathrm{th}$, and edge plasma power, $P_\mathrm{Loss},$ for the low-to-high confinement (L–H) and H–L transitions respectively, by up to a factor of 1.4. The X-point height scans were performed at three L-mode core plasma line average electron densities, $\bar{n}_\mathrm{e} = $ 1.2, 2.2 and 3.6 $\times 10^{19}\,\mathrm{m}^{-3}$, to investigate the density dependence of divertor magnetic configuration influence on $P_\mathrm{th}$. The X-point height, $Z_\textrm{x-pt}$, was further extended across the range 0.16–0.22 m with the more open HT divertor configuration, for which a clear decrease in $P_\mathrm{th}$ with increasing $Z_\textrm{x-pt}$ is observed. The dependence of $P_\textrm{th}$ on divertor magnetic geometry is further investigated using a time-dependent probability density function (PDF) model and information geometry to elucidate the roles played by pedestal plasma turbulence and perpendicular velocity flows. The degree of stochasticity of the plasma turbulence is observed to be sensitive to the plasma heating rate. The calculated square of the information rate shows changes in the relative density fluctuations and perpendicular velocity PDFs begin 2–5 ms prior to the L–H transition for three plasmas; providing a crucial measurement of the dynamic timescale of external transport barrier formation. Additionally, both information length and rate provide potential predictors of the L–H transition for these plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Integrating New Arctic Plant Functional Types in a Land Surface Model Using Above- and Belowground Field Observations: Modeling Archive

This Modeling Archive is in support of an NGEE Arctic publication "Integrating New Arctic Plant Functional Types in a Land Surface Model Using Above- and Belowground Field Observations". We used field observations of biomass and leaf traits (Salmon et al., 2019b) across a gradient of plant communities on the Seward Peninsula in northwest Alaska (Breen et al., 2020; Iversen et al., 2017) to replace the original ELM configuration with nine, arctic-specific PFTs. Original arctic PFTs in the model were (1) broadleaf deciduous boreal shrub and (2) C3 arctic grass. New PFTs were (1) lichen, (2) bryophyte, (3) evergreen dwarf shrub, (4) deciduous dwarf shrub, (5) deciduous low shrub, (6) deciduous low to tall shrub, (7) alder shrub, (8) forb, and (9) graminoid. New PFTs were parameterized and evaluated using site-level trait and biomass measurements (Salmon et al., 2019b), root C:N ratios and rooting depth patterns (Salmon et al., 2019c), and root biomass (Salmon et al., 2020). This archive contains forcing data and model output from ELM simulations conducted at the Kougarok Hillslope site (Kougarok Road Mile Marker 64). Simulations were conducted for the Kougarok Hillslope site using meteorological driving data from the Scenarios Network for Alaska and Arctic Planning (SNAP) downscaled climate projection dataset using NCAR-CCSM forcing (Bieniek et al., 2020 dataset; Walsh et al., 2018). The archive includes three versions of model simulations representing a progression from the original model configuration to an Arctic-specific configuration (see Output section below). Simulation 1 used grid cell data from a global E3SM configuration, including the fractional area of E3SM PFTs assigned to the grid cell containing the Kougarok Hillslope site in global simulations. This simulation did not distinguish between different plant communities on the Kougarok Hillslope, but instead used a single point simulation to represent the entire area. Simulation 2 used default E3SM PFT definitions combined with adjusted depth to bedrock for plant communities with shallow rocky layers to represent the role of abiotic soil factors in driving site differences (based on depth measurements of Iversen et al., 2019a), and adjusted the relative areas of the broadleaf deciduous boreal shrub and C3 arctic grass PFTs to reflect the observed spatial coverage of shrub and non-shrub PFTs across Kougarok Hillslope plant communities. Simulation 3 used the new arctic PFT definitions and parameterizations based on the vegetation types present at the site, along with the adjusted soil depths used in Simulation 2. Included are *.pdf, *.nc (NetCDF), *tar.gz, *.py, and *.bash files. We would like to thank Mary's Igloo Native Corporation for allowing us to perform this research on their land and giving us the opportunity to share this research with their community. Thanks to Shawn Serbin and Alistair Rogers for helpful discussions. Holly Vander Stel, Joanne Childs, and Stan Wullschleger helped with collection of field data. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗
NASA NTRSDate not supplied

A New BRDF Hotspot Model and its Use in Improving Radiative Transfer Model Efficiency and Application to VLIDORT-based PCRTM Model

The term “hotspot” refers to the sharp increase of reflectance occurring when incident (solar) and reflected (viewing) directions almost coincide in the backscatter direction. The accurate simulation of hotspot directional signatures is important for many remote sensing applications. The RossThick-LiSparse-Reciprocal (RTLSR) Bidirectional Reflectance Distribution Function (BRDF) model is widely used in radiative transfer simulations, and the hotspot model mostly used is from Maignan- Bréon but it typically requires large values of numerical quadrature and Fourier expansion terms in order to represent the hotspot accurately. To improve its use in atmospheric radiative transfer (RT) model simulations, we have developed a modified version based on the Maignan-Bréon’s hotspot BRDF model that converge much faster numerically, making it more practical for use in RT models that require Fourier expansion of BRDF to simulate the top-of-atmosphere (TOA) hotspot signatures. On basis of the vector linearized discrete ordinate radiative transfer model (VLIDORT), we have built a line-by-line based simulation system that can simulate the TOA radiance for atmospheres with 26 gases, different aerosols, dust and clouds, and surface with different BRDF. Using simulated results under diverse atmospheric conditions, we have developed VLIDORT-PCRTM model.

Xiaozhen Xiong↗
DOE OSTI2020

Covariant spectator theory of n p scattering: Deuteron form factors

The deuteron form factors are calculated using two model wave functions obtained from the 2007 CST high precision fits to $np$ scattering data. Included in the calculation are a new class of isoscalar $np$ interaction currents which are automatically generated by the nuclear force model used in these fits. If the nuclear model WJC2 is used, a precision fit ($\chi^2$/datum $\eqsim1$) to the Sick Global Analysis (GA) of all $ed$ elastic scattering data can be obtained by adjusting the unknown off-shell nucleon form factors $F_3(Q^2)$ (discussed before) and $F_4(Q^2)$ (introduced in this paper), and predicting the high $Q^2$ behavior of the neutron charge form factor $G_{En}(Q^2)$ well beyond the region where it has been measured directly. Relativistic corrections, isoscalar interaction currents, and off-shell effects are defined, discussed, and their size displayed. A rationale for extending $ed$ elastic scattering measurements to higher $Q^2$ is presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Review of Grey Box/Black Box Data Contamination Metrics on Open and Commercial Models

Dataset contamination is a problem where benchmarks and tasks used to evaluate the capabilities of Large Language Models (LLMs) have been incorporated into the training dataset of the models. This gives a false sense of performance that can overestimate how these models will function on truly unseen data. This problem becomes worse with commercial LLMs with larger and non-accessible training data, so techniques have been developed to try to measure the degree to which a model is contaminated with a benchmark’s data. To understand the effectiveness of these techniques, particularly when evaluating contamination on coding tasks, we review trends and categorize techniques by the degree of access to the model that is required. The research literature on this topic has reported mixed effectiveness of these techniques, so we select a set of black box (text access only) and grey box (access to model loss/probabilities required) techniques and apply them to both commercial and non-commercial models. We implement these metrics as part of a framework to test the contamination of Python code in LLMs to see to what extent we can replicate the effectiveness (or ineffectiveness) of these contamination detection techniques. Though we find mixed results in the capabilities of these metrics to identify contamination, we do observe evidence that they can identify contamination (broadly) in fine-tuned models when both a baseline and fine-tuned model is present. Additionally, similarity metrics were able to identify between contaminated and uncontaminated data even in situations where the data is distributionally similar (e.g., drawn from the same set of code projects).

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1987

Bragg-cell receiver study

Bragg-cell receivers are employed in specialized Electronic Warfare (EW) applications for the measurement of frequency. Bragg-cell receiver characteristics are fully characterized for simple RF emitter signals. This receiver is early in its development cycle when compared to the IFM receiver. Functional mathematical models are derived and presented in this report for the Bragg-cell receiver. Theoretical analysis is presented and digital computer signal processing results are presented for the Bragg-cell receiver. Probability density function analysis are performed for output frequency. Probability density function distributions are observed to depart from assumed distributions for wideband and complex RF signals. This analysis is significant for high resolution and fine grain EW Bragg-cell receiver systems.

Wilson, Lonnie A.↗
DOE OSTI2022

Increasing Functional Diversity in a Global Land Surface Model Illustrates Uncertainties Related to Parameter Simplification

Abstract Simulations of the land surface carbon cycle typically compress functional diversity into a small set of plant functional types (PFT), with parameters defined by the average value of measurements of functional traits. In most earth system models, all wild plant life is represented by between five and 14 PFTs and a typical grid cell (≈100 × 100 km) may contain a single PFT. Model logic applied to this coarse representation of ecological functional diversity provides a reasonable proxy for the carbon cycle, but does not capture the non‐linear influence of functional traits on productivity. Here we show through simulations using the Energy Exascale Land Surface Model in 15 diverse terrestrial landscapes, that better accounting for functional diversity markedly alters predicted total carbon uptake. The shift in carbon uptake is as great as 30% and 10% in boreal and tropical regions, respectively, when compared to a single PFT parameterized with the trait means. The traits that best predict gross primary production vary based on vegetation phenology, which broadly determines where traits fall within the global distribution. Carbon uptake is more closely associated with specific leaf area for evergreen PFTs and the leaf carbon to nitrogen ratio in deciduous PFTs.

58 GEOSCIENCES↗
NASA NTRS1986

The effect of heavy ions on the formation and structure of cometary bow shocks

A hybrid simulation model is used to investigate the effects of heavy cometary ions on the formation and structure of a cometary bow shock. The calculations are carried out over various Mach numbers and heavy ion velocity distribution functions. The model is based on previous formulations for phenomena in the solar wind and at the earth's bow shock. The generation of the shock is described in terms of particles injected from one side of the simulation field and reflected from the other end of the field, i.e., a solid wall boundary model. This technique permits the steep buildup of the ion density near the cometary nucleus, followed by coupling of the incident and reflected ion streams to produce a shock. It is shown that at low Mach numbers (up to Mach 2) the shock is transitory and periodically formed by protons, then destroyed by heavy ions (O+). Slightly higher Mach numbers lead to a true stationary shock. An examination of coupling effects between the solar wind and the heavy ions at low Mach numbers by using the Rankine-Hugoniot relations reveals that the ions and the solar wind protons cannot be treated as a single fluid calculating the shock characteristics.

Omidi, N.↗
NASA NTRS1991

An overview of the NASA electronic components information management system

The NASA Parts Project Office (NPPO) comprehensive data system to support all NASA Electric, Electronic, and Electromechanical (EEE) parts management and technical data requirements is described. A phase delivery approach is adopted, comprising four principal phases. Phases 1 and 2 support Space Station Freedom (SSF) and use a centralized architecture with all data and processing kept on a mainframe computer. Phases 3 and 4 support all NASA centers and projects and implement a distributed system architecture, in which data and processing are shared among networked database servers. The Phase 1 system, which became operational in February of 1990, implements a core set of functions. Phase 2, scheduled for release in 1991, adds functions to the Phase 1 system. Phase 3, to be prototyped beginning in 1991 and delivered in 1992, introduces a distributed system, separate from the Phase 1 and 2 system, with a refined semantic data model. Phase 4 extends the data model and functionality of the Phase 3 system to provide support for the NASA design community, including integration with Computer Aided Design (CAD) environments. Phase 4 is scheduled for prototyping in 1992 to 93 and delivery in 1994.

Kramer, G.↗
DOE OSTI2022

ML Pipeline (Machine Learning Pipeline) [SWR-22-35]

The Machine Learning Pipeline (ML Pipeline) allows the user to fit a model to predict a dependent variable, y, based on a feature set, X. ML Pipeline gives the ability to automatically generate features with its Feature Engineering function, automatically select the most important features with its Feature Selection function, fit the model with its Fit function, and evaluate the model with its Evaluate function. ML Pipeline's functionality can not only help the user predict values for the desired variable it also gives the user a better understanding of which features are important and how effective the model is. ML Pipeline accomplishes all this, while remaining simple to use and interpret.

Schiek, Andrew↗
DOE OSTI2025

Bayesian model mixing with multireference energy density functional

Reliably predicting nuclear properties across the entire chart of isotopes is important for applications ranging from nuclear astrophysics to superheavy science to nuclear technology. To this day, however, all the theoretical models that can scale at the level of the chart of isotopes remain semiphenomenological. Because they are fitted locally, their predictive power can vary significantly; different versions of the same theory provide different predictions. Bayesian model mixing takes advantage of such imperfect models to build a local mixture of a set of models to make improved predictions. Earlier attempts to use Bayesian model mixing for mass table calculations relied on models treated at single-reference energy density functional level, which fail to capture some of the correlations caused by configuration mixing or the restoration of broken symmetries. In this study we have applied Bayesian model mixing techniques within a multireference energy density functional (MR-EDF) framework. We considered predictions of two-particle separation energies from particle number projection or angular momentum projection with four different energy density functionals—a total of eight different MR-EDF models. We used a hierarchical Bayesian stacking framework with a Dirichlet prior distribution over weights together with an inverse log-ratio transform to enable positive correlations between different models. We found that Bayesian model mixing provides significantly improved predictions compared to the participating models. Published by the American Physical Society 2025

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

SERA: A Hydrogen Infrastructure Capacity Expansion Model

The Scenario Evaluation and Regionalization Analysis (SERA) model is an infrastructure planning optimization model that can guide hydrogen production, delivery, and end-use investment decisions and accelerate the adoption of low-cost hydrogen at scale, whether for fuel cell electric vehicles or non-transportation applications. In this talk, we will review the SERA model objective function as well as the data inputs and outputs. We will also look at a SERA case study identifying potential dispensed costs of hydrogen along major refueling corridors throughout the United States. In addition to the SERA model, Justin will also discuss his recent work for the Office of Manufacturing and Energy Supply Chains on electrolyzer supply chain readiness, and his work for the Hydrogen Fuel Cell Technologies Office and Environmental Protection Agency on the levelized cost of dispensed hydrogen for heavy-duty trucking.

30 DIRECT ENERGY CONVERSION↗