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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
NASA NTRS1980

Wheat forecast economics effect study

A model to assess the value of improved information regarding the inventories, productions, exports, and imports of crop on a worldwide basis is discussed. A previously proposed model is interpreted in a stochastic control setting and the underlying assumptions of the model are revealed. In solving the stochastic optimization problem, the Markov programming approach is much more powerful and exact as compared to the dynamic programming-simulation approach of the original model. The convergence of a dual variable Markov programming algorithm is shown to be fast and efficient. A computer program for the general model of multicountry-multiperiod is developed. As an example, the case of one country-two periods is treated and the results are presented in detail. A comparison with the original model results reveals certain interesting aspects of the algorithms and the dependence of the value of information on the incremental cost function.

Mehra, R. K.↗
NASA NTRS1999

Remote Thermal IR Spectroscopy of our Solar System

Indirect methods to detect extrasolar planets have been successful in identifying a number of stars with companion planets. No direct detection of an extrasolar planet has yet been reported. Spectroscopy in the thermal infrared region provides a potentially powerful approach to detection and characterization of planets and planetary systems. We can use knowledge of our own solar system, its planets and their atmospheres to model spectral characteristics of planets around other stars. Spectra derived from modeling our own solar system seen from an extrasolar perspective can be used to constrain detection strategies, identification of planetary class (terrestrial vs. gaseous) and retrieval of chemical, thermal and dynamical information. Emission from planets in our solar system peaks in the thermal infrared region, approximately 10 - 30 microns, substantially displaced from the maximum of the much brighter solar emission in the visible near 0.5 microns. This fact provides a relatively good contrast ratio to discriminate between stellar (solar) and planetary emission and optimize the delectability of planetary spectra. Important molecular constituents in planetary atmospheres have rotational-vibrational spectra in the thermal infrared region. Spectra from these molecules have been well characterized in the laboratory and studied in the atmospheres of solar system planets from ground-based and space platforms. The best example of such measurements are the studies with Fourier transform spectrometers, the Infrared Interferometer Spectrometers (IRIS), from spacecraft: Earth observed from NIMBUS 8, Mars observed from Mariner 9, and the outer planets observed from Voyager spacecraft. An Earth-like planet is characterized by atmospheric spectra of ozone, carbon dioxide, and water. Terrestrial planets have oxidizing atmospheres which are easily distinguished from reducing atmospheres of gaseous giant planets which lack oxygen-bearing species and are characterized by spectra containing hydrocarbons such as methane and ethane. Spectroscopic information on extrasolar planets thus can permit their classification. Spectra and spectral lines contain information on the temperature structure of the atmosphere. Line and band spectra can be used to identify the molecular constituents and retrieve species abundances, thereby classifying and characterizing the planet. At high enough spectral resolution characteristic planetary atmospheric dynamics and unique phenomena such as failure of local thermodynamic equilibrium can be identified. Dynamically induced effects such as planetary rotation and orbital velocity shift and change the shape of spectral features and must be modeled in detailed spectral studies. We will use our knowledge of the compositional, thermal and dynamical characteristics of planetary atmospheres in our own solar system to model spectra observed remotely on similar planets in extrasolar planetary systems. We will use a detailed radiative transfer and beam integration program developed for the modeling and interpretation of thermal infrared spectra measured from nearby planet planets to generate models of an extra-solar "Earth" and "Jupiter". From these models we will show how key spectral features distinguish between terrestrial and gaseous planets, what information can be obtained with different spectral resolution, what spectral features can be used to search for conditions for biogenic activity, and how dynamics and distance modify the observed spectra. We also will look at unique planetary phenomena such as atmospheric lasing and discuss their utility as probes for detection and identification of planets. Results of such studies will provide information to constrain design for instrumentation needed to directly detect extrasolar planets.

Kostiuk, Theodor↗
DOE OSTI2022

Search for supersymmetry in final states with two or three soft leptons and missing transverse momentum in proton-proton collisions at $\sqrt{s}$ = 13 TeV

A search for supersymmetry in events with two or three low-momentum leptons and missing transverse momentum is performed. The search uses proton-proton collisions at $\sqrt{s}$ = 13 TeV collected in the three-year period 2016–2018 by the CMS experiment at the LHC and corresponding to an integrated luminosity of up to 137 fb -1 . The data are found to be in agreement with expectations from standard model processes. The results are interpreted in terms of electroweakino and top squark pair production with a small mass difference between the produced supersymmetric particles and the lightest neutralino. For the electroweakino interpretation, two simplified models are used, a wino-bino model and a higgsino model. Exclusion limits at 95% confidence level are set on $^{\sim0}_{χ2}/^{\sim±}_{χ1}$ masses up to 275 GeV for a mass difference of 10 GeV in the wino-bino case, and up to 205(150) GeV for a mass difference of 7.5 (3) GeV in the higgsino case. The results for the higgsino are further interpreted using a phenomenological minimal supersymmetric standard model, excluding the higgsino mass parameter μ up to 180 GeV with the bino mass parameter M 1 at 800 GeV. In the top squark interpretation, exclusion limits are set at top squark masses up to 540 GeV for four-body top squark decays and up to 480 GeV for chargino-mediated decays with a mass difference of 30 GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Isothermal evaporation of a-pinene ozonolysis SOA: volatility, phase state, and oligomeric composition

We present measurements of the isothermal evaporation of a-pinene ozonolysis secondary organic aerosol (SOA). Using a novel, filter-based method, we replicate previous findings of the volume fraction remaining, presented here as carbon number weighted signal fraction remaining (SFR), as a function of evaporation time. We apply two detailed physical models to interpret the evaporative behavior of both the bulk SOA and individual components. Both models find that a combination of effectively non-volatile products, together with reversible oligomers (or otherwise reactive monomers) having a decomposition lifetime of 9 to 28 hours, best explains the evolution of composition and volatility as particles age in the absence of both organic vapors and oxidants, even under an assumption of relatively viscous (soft wax-like) particles. We find that the residence time in the SOA formation chamber, and time spent undergoing isothermal evaporation, both indicative of the physical age of the aerosol, are the most important experimental parameter determining the evaporation rate. The evolution of volatility observed in these experiments is compared to field measurements in a boreal forest site. The ambient monoterpene-dominated SOA volatility is only reproduced in the laboratory after 24 hours of extended aging in a dilute, dark, oxidant-free environment.

D'Ambro, Emma↗
DOE OSTI2025

pyTCR: A tropical cyclone rainfall model for python

pyTCR is a climatology software package developed in the Python programming language. It integrates the capabilities of several legacy physical models and increases computational efficiency to allow rapid estimation of tropical cyclone (TC) rainfall consistent with the large-scale environment. Specifically, pyTCR implements a horizontally distributed and vertically integrated model [Zhu et al., 2013] for simulating rainfall driven by TCs. Along storm tracks, rainfall is estimated by computing the cross-boundary-layer, upward water vapor transport caused by different mechanisms including frictional convergence, vortex stretching, large-scale baroclinic effect (i.e., wind shear), topographic forcing, and radiative cooling [Lu et al., 2018]. The package provides essential functionalities for modeling and interpreting spatio-temporal TC rainfall data. pyTCR requires a limited number of model input parameters, making it a convenient and useful tool for analyzing rainfall mechanisms driven by TCs. To sample rare (most intense) rainfall events that are often of great societal interest, pyTCR adapts and leverages outputs from a statistical-dynamical TC downscaling model [Lin et al., 2023] capable of rapidly generating a large number of synthetic TCs given a certain climate. As a result, pyTCR significantly reduces computational effort and improves the efficiency in capturing extreme TC rainfall events at the tail of the distributions from limited datasets. Furthermore, the TC downscaling model is forced entirely by large-scale environmental conditions from reanalysis data or coupled General Circulation Models (GCMs), simplifying the projection of TC-induced rainfall and wind speed under future climate using pyTCR. Finally, pyTCR can be coupled with hydrological and wind models to assess risks associated with independent and compound events (e.g., storm surges and freshwater flooding).

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1985

A model for the proton spectrum and cosmic ray anisotropy

The problem of the origin of the cosmic rays is still uncertain. As a theory, it should explain the support of particles and energy, the mechanism of acceleration and propagation as well as some important features obtained directly from cosmic ray experiments, such as the power spectrum and the knee. There are two kinds of models for interpreting the knee of the cosmic ray spectrum. One is the leaky box model. Another model suggests that the cut-off rigidity of the main sources causes the knee. The present paper studies the spectrum and the anisotropy of cosmic rays in an isotropic diffuse model with explosive discrete sources in an infinite galaxy.

Xu, C.↗
NASA NTRS2012

GRB 120422A: a Low-Luminosity Gamma-Ray Burst Driven by a Central Engine

GRB 120422A is a low-luminosity gamma-ray burst (GRB) associated with a bright supernova, which distinguishesitself by its relatively short T(sub 90) (approximately 5 s) and an energetic and steep-decaying X-ray tail. We analyze the Swift BurstAlert Telescope and X-ray Telescope data and discuss the physical implications. We show that the steep declineearly in the X-ray light curve can be interpreted as the curvature tail of a late emission episode around 58-86 s,with a curved instantaneous spectrum at the end of the emission episode. Together with the main activity in thefirst 20 s and the weak emission from 40 s to 60 s, the prompt emission is variable, which points to a centralengine origin in contrast to a shock-breakout origin, which is used to interpret some other nearby low-luminosity supernova GRBs. Both the curvature effect model and interpreting the early shallow decay as the coasting externalforward shock emission in a wind medium provide a constraint on the bulk Lorentz factor to be around several.Comparing the properties ofGRB 120422A and other supernova GRBs,we find that themain criterion to distinguish engine-driven GRBs from shock-breakout GRBs is the time-averaged -ray luminosity. Engine-driven GRBs likelyhave a luminosity above approximately 10(sup 48) erg s(sup -1).

engine↗
DOE OSTI2026

Deciphering the Solvation Structure of Aqueous ZnCl 2 Solutions from X-ray Absorption Spectra Using the Interpretable Graph Neural Network

Machine learning (ML) provides powerful pathways for predicting spectroscopic observables from atomic structures, but its broader impact depends on making model predictions interpretable in terms of physical and chemical principles. Here, we introduce a physics-guided graph neural network (GNN) model that predicts Zn K-edge X-ray spectroscopy (XAS) spectra of aqueous ZnCl 2 solutions. Training data are generated from ab initio XAS calculations on molecular dynamics snapshots obtained using a machine learning interatomic potential. The GNN reproduces experimental spectra across concentrations from dilute (<0.1 m) to highly concentrated (30 m, “water-in-salt”) regimes and scales efficiently to large, disordered liquid systems beyond the reach of conventional ab initio approaches. Gradient-based attribution analysis reveals that the model learns physically meaningful structure-spectrum relationships. Ligand-specific attributions reflect orbital hybridization patterns and the origin of the excitations derived from the density functional theory. Bond-length attributions recover spectral shifts consistent with multiple-scattering theory. Finally, this work bridges data-driven prediction with electronic-structure theory, establishing a general paradigm for interpretable ML that links atomic structure, electronic structure, and spectroscopic observables.

25 ENERGY STORAGE↗
DOE OSTI2026

A Unified Workflow for Sensitivity-Based Kinetic Analysis in Microkinetic Models

Degrees of rate control (DRC), apparent activation energies, and apparent reaction orders are established local sensitivity diagnostics for interpreting microkinetic models, but applying them routinely to large mechanisms often requires substantial reaction-specific bookkeeping, perturbation design, and postprocessing. Here, in this study, we present a unified derivative-based workflow that evaluates these quantities from a single compiled reaction-network model and target-rate definition. For any user-provided microkinetic model, the workflow compiles the mechanism into stoichiometrically consistent mass-action rate equations, solves the surface dynamics, and uses automatic differentiation to compute sensitivities with respect to rate constants, temperature, and gas partial pressures. By combining their calculations in the same framework, the workflow clearly demonstrates the relationships between different DRCs and the apparent activation energy. Using existing examples of propylene partial oxidation and methane oxidation on Pd(100), we verify expected transient redistribution of rate control, distinguish net Campbell DRCs from one-sided directional sensitivities, and show how apparent activation energy can be reconstructed either from one-sided DRCs or from state-based DRCs while critical mechanistic insights are obtained consistently. In the methane oxidation case, a pathway-subset test further illustrates how a simplified mechanism preserves key kinetic signatures of a full model, showing the potential of our user-friendly tool for model construction beyond kinetic analysis.

36 MATERIALS SCIENCE↗
NASA NTRS1980

Interpretation of postseismic deformation with a viscoelastic relaxation model

A viscoelastic relaxation model is used to interpret postseismic surface deformation for the large-magnitude Aleutian earthquakes of 1957 and 1965. The lithosphere and asthenosphere are modeled as elastic solids with an anomalous viscoelastic inclusion below the island arc volcanoes. It is found that the observed postseismic surface deformation is a corollary of the known island arc structure. A satisfactory fit to the uplift following the 1957 earthquake is found for a viscoelastic volume with 80-km width extending from a depth of 50 to 200 km.

Wahr, J.↗
DOE OSTI2022

Deep learning of dynamically responsive chemical Hamiltonians with semiempirical quantum mechanics

Conventional machine-learning (ML) models in computational chemistry learn to directly predict molecular properties using quantum chemistry only for reference data. While these heuristic ML methods show quantum-level accuracy with speeds several orders of magnitude faster than traditional quantum chemistry methods, they suffer from poor extensibility and transferability; i.e., their accuracy degrades on large or new chemical systems. Incorporating quantum chemistry frameworks into the ML models directly solves this problem. Here we take the structure of semiempirical quantum mechanics (SEQM) methods to construct dynamically responsive Hamiltonians. SEQM methods use empirical parameters fitted to experimental properties to construct reduced-order Hamiltonians, facilitating much faster calculations than ab initio methods but with compromised accuracy. By replacing these static parameters with machine-learned dynamic values inferred from the local environment, we greatly improve the accuracy of the SEQM methods. Trained on molecular energies and atomic forces, these dynamically generated Hamiltonian parameters show a strong correlation with atomic hybridization and bonding. Trained with only about 60,000 small organic molecular conformers, the resulting model retains interpretability, extensibility, and transferability when testing on much larger chemical systems and predicting various molecular properties. Overall, this work demonstrates the virtues of incorporating physics-based descriptions with ML to develop models that are simultaneously accurate, transferable, and interpretable.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

A procedure for rule extraction from a Self-Organising plasma disruption predictor for JET

In a previous paper, a Self-Organizing Map had proven to be able to identify the regions of the plasma operative space characterizing the pre-disruptive phase at JET without relying on any a priori information. One of the strengths of this disruption predictor lies in its inherent self-organization capability. The Self-Organizing Map discovers non-trivial relationships and captures the complicated interplay of device diagnostics on the internal plasma states directly from the experimental data. Moreover, the provided model allows the visualization of high-dimensional plasma parameters and facilitates easy interrogation of the model to understand the reasons behind its correlations. In this paper, an additional step is taken towards the interpretability of models for predicting disruptions by training a Decision Tree to classify the plasma states according to the interpretation provided by the Self-Organizing Map (stable or at high risk of disruptions). The Decision tree provides a set of rules which describe the transition of the plasma towards the pre-disruptive phase as visualized in the Self-Organizing Map. The obtained rules for the database explored in the study identify four regions in the map, two of which are at risk of disruption. These regions correspond to partitions of a 3D space based on the peaking factors of the core and divertor radiation, as well as the Locked Mode. The agreement between the Self-Organizing Map answers and the rules supplied by the Decision Tree is confirmed by the comparison of the performance exhibited by the two models in the prediction of disruptions.

Setzu, Samuele [Univ. of Cagliari, Monserrato, Cag↗
NASA NTRS2011

The 5 Hour Pulse Period and Broadband Spectrum of the Symbiotic X-Ray Binary 3A 1954+319

We present an analysis of the highly variable accreting X-ray pulsar 3A 1954+319 using 2005-2009 monitoring data obtained with INTEGRAL and Swift. This considerably extends the pulse period history and covers flaring episodes in 2005 and 2008. In 2006 the source was identified as one of only a few known symbiotic X-ray binaries, Le" systems composed of a neutron star accreting from the inhomogeneous medium around an M-giant star. The extremely long pulse period of approximately 5.3 h is directly visible in the 2008 INTEGRAL-ISGRI outburst light curve. The pulse profile is double peaked and not significantly energy dependent. During the outburst a strong spin-up of -1.8 x 10(exp -4) h h(exp -1) occurred. Between 2005 and 2008 a long term spin-down trend of 2.1 x 10(exp -5) h h(exp -1) was observed for the first time for this source. The 3-80 keV pulse peak spectrum of 3A 1954+319 during the 2008 flare could be well described by a thermal Comptonization model. We interpret the results within the framework of a recently developed quasi-spherical accretion model for symbiotic X-ray binaries.

Marcu, Diana M.↗
NASA NTRS1991

Relationships of soil, grass, and bedrock over the Kaweah serpentine melange through spectral mixture analysis of AVIRIS data

A linear mixing model is used to model the spectral variability of an AVIRIS scene from the western foothills of the Sierra Nevada and calibrate these radiance data to reflectance. Five spectral endmembers from the AVIRIS data, plus an ideal 'shade' endmember were required to model the continuum reflectance of each pixel in the image. Three of the endmembers were interpreted to model the surface constituents green vegetation, dry grass, and illumination. These are the main transient surface constituents that are expected to change with shifts in land use or climatic influences and viewing conditions ('shade' only). The spectral distinction between the other three endmembers is very small, yet the spatial distributions are coherent and interpretable. These distributions cross anthropogenic and vegetation boundaries and are best interpreted as different soil types. Comparison of the fraction images to the bedrock geology maps indicates that substrate composition must be a factor contributing to the spectral properties of these endmembers. Detailed examination of the reflectance spectra of the three soil endmembers reveals that differences in the amount of ferric and ferrous iron and/or organic constituents in the soils is largely responsible for the differences in spectral properties of these endmembers.

Mustard, John F.↗
DOE OSTI2023

Steptoe Valley NV Data Compilation: Understanding a Stratigraphic Hydrothermal Resource through Geophysical Imaging

Sandia National Laboratories partnered with a multi-disciplinary group of subject matter experts to evaluate a stratigraphic geothermal resource in Steptoe Valley, Nevada using both established and novel geophysical imaging techniques. Provided here are a compilation of newly acquired data over the area and select modeling efforts. This encompasses a 3D geological model (inclusive of full Leapfrog files, Leapfrog viewer files, and XYZ data for faults and stratigraphy) with embedded geophysical modeling, controlled-source electromagnetic (CSEM) and magnetotelluric (MT) data packages, aqueous spring geochemistry data, seismic reflection interpretations, and a gravity data package. The stratigraphic reservoir in Steptoe Valley was previously discovered during oil and gas exploration. Subsequent studies, such as the Nevada Play Fairway Analysis, added data which further highlighted potential resource targets in the basin. Geophysical surveys, complimented with refined geologic mapping and geochemical sampling, were deployed to further characterize the resource. The resulting 3D geologic interpretation, conceptual model refinements, and reservoir simulations suggest that a power-capable reservoir is economically accessible in the Paleozoic carbonates of the deep/central basin. Additional geophysical characterization and exploration drilling efforts are recommended to calibrate interpretation and determine where/how to potentially develop the Steptoe resource. The geophysical tools, interpretations, lessons learned, and publicly available data generated by this study establish an exploration methodology to inform decisions for successful development of stratigraphic reservoirs.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

Integrating continuous atmospheric boundary layer and tower-based flux measurements to advance understanding of land-atmosphere interactions

The atmospheric boundary layer mediates the exchange of energy, matter, and momentum between the land surface and the free troposphere, integrating a range of physical, chemical, and biological processes and is defined as the lowest layer of the atmosphere (ranging from a few meters to 3 km). In this review, we investigate how continuous, automated observations of the atmospheric boundary layer can enhance the scientific value of co-located eddy covariance measurements of land-atmosphere fluxes of carbon, water, and energy, as are being made at FLUXNET sites worldwide. We highlight four key opportunities to integrate tower-based flux measurements with continuous, long-term atmospheric boundary layer measurements: (1) to interpret surface flux and atmospheric boundary layer exchange dynamics and feedbacks at flux tower sites, (2) to support flux footprint modelling, the interpretation of surface fluxes in heterogeneous terrain, and quality control of eddy covariance flux measurements, (3) to support regional-scale modeling and upscaling of surface fluxes to continental scales, and (4) to quantify land-atmosphere coupling and validate its representation in Earth system models. Adding a suite of atmospheric boundary layer measurements to eddy covariance flux tower sites, and supporting the sharing of these data to tower networks, would allow the Earth science community to address new emerging research questions, better interpret ongoing flux tower measurements, and would present novel opportunities for collaborations between FLUXNET scientists and atmospheric and remote sensing scientists.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2021

Integrating continuous atmospheric boundary layer and tower-based flux measurements to advance understanding of land-atmosphere interactions

The atmospheric boundary layer mediates the exchange of energy, matter, and momentum between the land surface and the free troposphere, integrating a range of physical, chemical, and biological processes and is defined as the lowest layer of the atmosphere (ranging from a few meters to 3 km). In this review, we investigate how continuous, automated observations of the atmospheric boundary layer can enhance the scientific value of co-located eddy covariance measurements of land-atmosphere fluxes of carbon, water, and energy, as are being made at FLUXNET sites worldwide. We highlight four key opportunities to integrate tower-based flux measurements with continuous, long-term atmospheric boundary layer measurements: (1) to interpret surface flux and atmospheric boundary layer exchange dynamics and feedbacks at flux tower sites, (2) to support flux footprint modelling, the interpretation of surface fluxes in heterogeneous and mountainous terrain, and quality control of eddy covariance flux measurements, (3) to support regional-scale modeling and upscaling of surface fluxes to continental scales, and (4) to quantify land-atmosphere coupling and validate its representation in Earth system models. Adding a suite of atmospheric boundary layer measurements to eddy covariance flux tower sites, and supporting the sharing of these data to tower networks, would allow the Earth science community to address new emerging research questions, better interpret ongoing flux tower measurements, and would present novel opportunities for collaborations between FLUXNET scientists and atmospheric and remote sensing scientists.

Manuel Helbig↗
DOE OSTI2023

Automated classification of big X-ray diffraction data using deep learning models

Abstract In current in situ X-ray diffraction (XRD) techniques, data generation surpasses human analytical capabilities, potentially leading to the loss of insights. Automated techniques require human intervention, and lack the performance and adaptability required for material exploration. Given the critical need for high-throughput automated XRD pattern analysis, we present a generalized deep learning model to classify a diverse set of materials’ crystal systems and space groups. In our approach, we generate training data with a holistic representation of patterns that emerge from varying experimental conditions and crystal properties. We also employ an expedited learning technique to refine our model’s expertise to experimental conditions. In addition, we optimize model architecture to elicit classification based on Bragg’s Law and use evaluation data to interpret our model’s decision-making. We evaluate our models using experimental data, materials unseen in training, and altered cubic crystals, where we observe state-of-the-art performance and even greater advances in space group classification.

Chemistry↗