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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 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Assessment of high enthalpy geothermal resources and promising areas of Chile

This work aims to assess geothermal power potential in identified high enthalpy geothermal areas in the Chilean Andes, based on reservoir temperature and volume. In addition, we present a set of highly favorable geothermal areas, but without enough data in order to quantify the resource. Information regarding geothermal systems was gathered and ranked to assess Indicated or Inferred resources, depending on the degree of confidence that a resource may exist as indicated by the geoscientific information available to review. Resources were estimated through the USGS Heat in Place method. A Monte Carlo approach is used to quantify variability in boundary conditions. Estimates of total Indicated resource are confined to 3 geothermal systems; Apacheta, El Tatio and Tolhuaca, yielding a total value of 228 ± 154. MWe. The estimates of the total Inferred resources for Chile include 6 geothermal systems and yield a total value of 431 ± 321. MWe. Standard deviation reflects the high variability of reservoir specific parameters for each system. A set of 65 favorable geothermal areas are proposed as the most likely future development targets. Finally, eight of them have initial exploration results that suggest they are highly favorable targets as potential geothermal resources.

58 GEOSCIENCES↗
DOE OSTI2018

Storm-driven particulate organic matter flux connects a tidal tributary floodplain wetland, mainstem river, and estuary

The transport of terrestrial plant matter into coastal waters is important to regional and global biogeochemical cycles, and methods for assessing and predicting fluxes in such dynamic environments are needed. We investigated the hypothesis that upon reconnection of a floodplain wetland to its mainstem river, organic matter produced in the wetland would reach other parts of the ecosystem. If so, we can infer that the organic matter would ultimately become a source for the food web in the mainstem river and estuary. To accomplish this, we adapted numerical hydrodynamic and transport modeling methods to estimate the mass of particulate organic matter (POM) derived from the annually senescent aboveground parts of herbaceous marsh plants (H–POM). The Finite–Volume Community Ocean Model (FVCOM), parameterized with flow, tide, and aboveground biomass data, simulated H–POM mobilization from fluid shear stress during tidal exchange, flooding, and variable river flow; entrainment into the water column; transport via channel and overland flow; and entrapment when wetted surfaces dry. We examined export from a recently reconnected, restoring tidal emergent marsh on the Grays River, a tributary to the Columbia River estuary. Modeling indicated that hydrologically reconnecting 65 ha at the site resulted in export of about 96 × 10 3 kg of H–POM, primarily during pulsed storm flooding events in autumn and early winter. This exported mass amounted to about 19% of the summer peak aboveground biomass measured at the site. Of that 19%, about 48% (47 × 10 3 kg) was deposited downstream in the Grays River and floodplain wetlands, and the remaining 52% (50 × 10 3 kg) passed the confluence of the Grays River and the mainstem estuary located about 7 km from the study site. The colonization of the restoring study site largely by nonnative Phalaris arundinacea (reed canarygrass) may have resulted in 18–28% lower H–POM mobilization than typical marsh plant communities on this floodplain, based on estimates from regional studies of marshes dominated by less recalcitrant species. Here, we concluded that restored floodplain wetlands can contribute significant amounts of organic matter to the estuarine ecosystem and thereby contribute to the restoration of historical trophic structure.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Prime VI

SAND2025-03757O Prime VI is a distribution-of-disease outbreak model calibration code based on variational inference. It accompanies a publication for submission to Statistics in Medicine journal, and the code will be maintained for open-source use on Sandia's GitLab. The software provides methods for calibrating an epidemiological model to measured case-count data for a multitude of correlated spatial regions. The code solves a Bayesian inverse problem for model calibration where the posterior over-model parameters are approximated through a custom implementation of variational inference. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Safta, Cosmin↗
NASA NTRS2010

Efficient Web Services Policy Combination

Large-scale Web security systems usually involve cooperation between domains with non-identical policies. The network management and Web communication software used by the different organizations presents a stumbling block. Many of the tools used by the various divisions do not have the ability to communicate network management data with each other. At best, this means that manual human intervention into the communication protocols used at various network routers and endpoints is required. Developing practical, sound, and automated ways to compose policies to bridge these differences is a long-standing problem. One of the key subtleties is the need to deal with inconsistencies and defaults where one organization proposes a rule on a particular feature, and another has a different rule or expresses no rule. A general approach is to assign priorities to rules and observe the rules with the highest priorities when there are conflicts. The present methods have inherent inefficiency, which heavily restrict their practical applications. A new, efficient algorithm combines policies utilized for Web services. The method is based on an algorithm that allows an automatic and scalable composition of security policies between multiple organizations. It is based on defeasible policy composition, a promising approach for finding conflicts and resolving priorities between rules. In the general case, policy negotiation is an intractable problem. A promising method, suggested in the literature, is when policies are represented in defeasible logic, and composition is based on rules for non-monotonic inference. In this system, policy writers construct metapolicies describing both the policy that they wish to enforce and annotations describing their composition preferences. These annotations can indicate whether certain policy assertions are required by the policy writer or, if not, under what circumstances the policy writer is willing to compromise and allow other assertions to take precedence. Meta-policies are specified in defeasible logic, a computationally efficient non-monotonic logic developed to model human reasoning. One drawback of this method is that at one point the algorithm starts an exhaustive search of all subsets of the set of conclusions of a defeasible theory. Although the propositional defeasible logic has linear complexity, the set of conclusions here may be large, especially in real-life practical cases. This phenomenon leads to an inefficient exponential explosion of complexity. The current process of getting a Web security policy from combination of two meta-policies consists of two steps. The first is generating a new meta-policy that is a composition of the input meta-policies, and the second is mapping the meta-policy onto a security policy. The new algorithm avoids the exhaustive search in the current algorithm, and provides a security policy that matches all requirements of the involved metapolicies.

Vatan, Farrokh↗
DOE OSTI2017

Tensor-Dictionary Learning with Deep Kruskal-Factor Analysis

We introduce new dictionary learning methods for tensor-variate data of any order. We represent each data item as a sum of Kruskal decomposed dictionary atoms within the framework of beta-process factor analysis (BPFA). Our model is nonparametric and can infer the tensor-rank of each dictionary atom. This Kruskal-Factor Analysis (KFA) is a natural generalization of BPFA. We also extend KFA to a deep convolutional setting and develop online learning methods. We test our approach on image processing and classification tasks achieving state of the art results for 2D & 3D inpainting and Caltech 101. The experiments also show that atom-rank impacts both overcompleteness and sparsity.

Stevens, Andrew J.↗
DOE OSTI2020

Estimating posterior quantity of interest expectations in a multilevel scalable framework

Scalable approaches for uncertainty quantification are necessary for characterizing prediction confidence in large-scale subsurface flow simulations with uncertain permeability. To this end we explore a multilevel Monte Carlo approach for estimating posterior moments of a particular quantity of interest, where we employ an element-agglomerated algebraic multigrid (AMG) technique to generate the hierarchy of coarse spaces with guaranteed approximation properties for both the generation of spatially correlated random fields and the forward simulation of Darcy's law to model subsurface flow. In both these components (sampling and forward solves), we exploit solvers that rely on state-of-the-art scalable AMG. To illustrate the applicability of this approach, numerical tests are performed on two 3D examples-a unit cube and an egg-shaped domain with an irregular boundary-where the scalability of each simulation as well as the scalability of the overall algorithm are demonstrated.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

A direct filter method for parameter estimation

Parameter estimation is an important research topic in data assimilation. In this paper, a novel parameter estimation method is introduced, where the parameter is considered as the state process in a nonlinear filtering problem and the state model that contains the parameter is used to construct a pseudo-observation. This approach is named the direct filter method since nonlinear filtering algorithms are used to estimate the parameter directly without estimating the state model as part of the solution in the nonlinear filtering problem. Numerical experiments are carried out to examine the effectiveness and accuracy of the direct filter method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Classification and regression models of audio and vibration signals for machine state monitoring in precision machining systems

Here we present a data-driven method for monitoring machine status in manufacturing processes. Audio and vibration data from precision machining are used for inference in two operating scenarios: (a) variable machine health states (anomaly detection); and (b) settings of machine operation (state estimation). Audio and vibration signals are first processed through Fast Fourier Transform and Principal Component Analysis to extract transformed and informative features. These features are then used in the training of classification and regression models for machine state monitoring. Specifically, three classifiers (K-nearest neighbors, convolutional neural networks and support vector machines) and two regressors (support vector regression and neural network regression) were explored, in terms of their accuracy in machine state prediction. It is shown that the audio and vibration signals are sufficiently rich in information about the machine that 100% state classification accuracy could be accomplished. Data fusion was also explored, showing overall superior accuracy of data-driven regression models.

42 ENGINEERING↗
DOE OSTI2016

Characterizing phonon dynamics using stochastic sampling

Predicting phonon relaxation time from molecular dynamics (MD) requires a long simulation time to compute the mode energy auto-correlation function. Here, we present an alternative approach to infer the phonon life-time from an approximate form of the energy auto-correlation function. The method requires as an input a set of sampled equilibrium configurations. A stochastic sampling method is used to generate the equilibrium configurations. We consider a truncated Taylor series expansion of the phonon energy auto-correlation function. The different terms in the truncated correlation function are obtained using the stochastic sampling approach. The expansion terms, thus, obtained are in good agreement with the corresponding values obtained using MD. We then use the approximate function to compute the phonon relaxation time. The relaxation time computed using this method is compared with that obtained from the exact correlation function. The two values are in agreement with each other.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Uncertainty quantification for high explosive reactant and product equations of state

Equations of state (EOSs) are typically represented as physics-informed models with tunable parameters that are adjusted to replicate calibration data as closely as possible. Uncertainty quantification (UQ) allows for the development of an ensemble of EOS parameters that are consistent with the calibration data instead of a single EOS. In this work, we perform UQ for the reactant and product EOSs for a variety of high explosives (HEs). In doing so, we demonstrate a strategy for dealing with heterogeneous (both experimental and calculated) data. We also use a statistical distance metric to quantify the differences between the various HEs using the UQ results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Cartesian equivariant representations for learning and understanding molecular orbitals

Qualitative and quantitative orbital properties such as bonding/antibonding character, localization, and orbital energies are critical to how chemists understand reactivity, catalysis, and excited-state behavior. Despite this, representations of orbitals in deep learning models have been very underdeveloped relative to representations of molecular geometries and Hamiltonians. Here, we apply state-of-the-art equivariant deep learning architectures to the task of assigning global labels to orbitals, namely energies characterizations, given the molecular coefficients from Hartree–Fock or density functional theory. The architecture we have developed, the Cartesian Equivariant Orbital Network (CEONET), shows how molecular orbital coefficients are readily featurized as equivariant node features common to all graph-based machine-learned potentials. We find that CEONET performs well at predicting difficult quantitative labels such as the orbital energy and orbital entropy. Furthermore, we find that the CEONET representation provides an intuitive latent space for differentiating orbital character for the qualitative assignment of e.g. bonding or antibonding character. In addition to providing a useful representation for further integrating deep learning with electronic structure theory, we expect CEONET to be useful for automatizing and interpreting the results of advanced electronic structure methods such as complete active space self-consistent field theory. In particular, the ability of CEONET to infer multireference character via the orbital entropy paves the way toward the machine-learned selection of active spaces.

chemical reactions↗
DOE OSTI2023

Constructing a Simulation Surrogate with Partially Observed Output

Gaussian process surrogates are a popular alternative to directly using computationally expensive simulation models. When the simulation output consists of many responses, dimension-reduction techniques are often employed to construct these surrogates. However, surrogate methods with dimension reduction generally rely on complete output training data. This article proposes a new Gaussian process surrogate method that permits the use of partially observed output while remaining computationally efficient. The new method involves the imputation of missing values and the adjustment of the covariance matrix used for Gaussian process inference. The resulting surrogate represents the available responses, disregards the missing responses, and provides meaningful uncertainty quantification. In conclusion, the proposed approach is shown to offer sharper inference than alternatives in a simulation study and a case study where an energy density functional model that frequently returns incomplete output is calibrated.

42 ENGINEERING↗
DOE OSTI2023

Enhancing Qubit Readout with Autoencoders

In addition to the need for stable and precisely controllable qubits, quantum computers take advantage of good readout schemes. Superconducting qubit states can be inferred from the readout signal transmitted through a dispersively coupled resonator. Here, this work proposes a readout classification method for superconducting qubits based on a neural network pretrained with an autoencoder approach. A neural network is pretrained with qubit readout signals as autoencoders in order to extract relevant features from the data set. Afterward, the pretrained-network inner-layer values are used to perform a classification of the inputs in a supervised manner. We demonstrate that this method can enhance classification performance, particularly for short- and long-time measurements where more traditional methods present inferior performance.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Data-Driven Invertible Neural Surrogates of Atmospheric Transmission

We present Data-Driven Invertible Neural Surrogates of Atmospheric transmission, or DINSAT. DINSAT is a novel framework for inferring an atmospheric transmission profile from a spectral scene. This framework leverages a lightweight, physics-based simulator that is automatically tuned -- by virtue of autodifferentiation and differentiable programming -- to construct a surrogate atmospheric profile to model the observed data. The framework has utility in (i) performing atmospheric correction, (ii) recasting spectral data between various modalities (e.g. radiance and reflectance at the surface and at the sensor), and (iii) inferring atmospheric transmission profiles, such as absorbing bands and their relative magnitudes. We demonstrate the utility of these methods by performing a canonical atmospheric correction task for the purposes of further analysis - in this case, target detection within a scene.

Koch, James V.↗
DOE OSTI2020

Heat Flux Analysis From IR Imaging on Proto-MPEX

The Prototype Material Plasma Exposure eXperiment (Proto-MPEX) is a linear device used to develop the source and heating concept for MPEX, an experiment to study plasma–material interactions for future fusion reactors. This paper highlights recent analysis and results on Proto-MPEX using an infrared (IR) camera, a key tool for imaging heat fluxes measured at the material target. The target heat fluxes are crucial to understanding the source and heating concepts. The recent analysis includes the application of homography and 3-D finite-element methods to provide between-shot measurements of the 2-D target heat flux profile. The IR camera inferred heat flux is shown to correlate with Langmuir probe inferred heat fluxes for a range of parameters in helicon only and helicon + electron cyclotron heated discharges. Results show both desirable central and undesirable edge heat flux for helicon source and electron heating on the target. These heat flux measurements are shown to be important for better understanding of the source and heating physics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Pressure Profiles of Distant Galaxy Clusters in the Planck Catalogue

Successive releases of Planck data have demonstrated the strength of the Sunyaev–Zeldovich (SZ) effect in detecting hot baryons out to the galaxy cluster peripheries. To infer the hot gas pressure structure from nearby galaxy clusters to more distant objects, we developed a parametric method that models the spectral energy distribution and spatial anisotropies of both the Galactic thermal dust (GTD) and the cosmic microwave background (CMB), which are combined with the cluster SZ and dust signals. Taking advantage of the best angular resolution of the High Frequency Instrument channels (5 arcmin) and using X-ray priors in the innermost cluster regions that are not resolved with Planck, this modeling allowed us to analyze a sample of 61 nearby members of the Planck Catalogue of SZ sources (0<z<0.5, z-tilde =0.15) using the full mission data, as well as to examine a distant sample of 23 clusters (0.5<z<1, z-tilde =0.56) that have been recently followed-up with XMM-Newton and Chandra observations. We find that (i) the average shape of the mass-scaled pressure profiles agrees with results obtained by the Planck Collaboration in the nearby cluster sample, and that (ii) no sign of evolution is discernible between averaged pressure profiles of the low- and high-redshift cluster samples. In line with theoretical predictions for these halo masses and redshift ranges, the dispersion of individual profiles relative to a self-similar shape stays well below 10% inside r {sub 500} but increases in the cluster outskirts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

A Machine Learning Framework to Predict Images of Edge-on Protoplanetary Disks

The physical structure and properties of protoplanetary disks are typically derived from spatially resolved disk images. Edge-on disks in particular provide an important view point on the vertical structure and degree of settling of disks. Such analyses rely on radiative transfer (RT) calculations that are generally computationally intensive due to the high optical depth of disks. Here we present a machine learning framework that has the potential to dramatically speed up the forward modeling process by approximating the results of RT calculations. This framework, trained on an initial set of RT calculations, utilizes an autoencoder neural network to enable the generation of synthetic scattered light images of edge-on disks directly from a set of physical parameters. We demonstrate that this framework generates synthetic images 2–3 orders of magnitude faster than using RT calculations. These machine learning-generated images appear to approximate the RT images well, in particular preserving their size and shape. We also find a strong correlation between the latent space representations of the generated disk images and several of their associated physical parameters. Finally, we discuss potential changes to the framework, such as methods to further improve the image quality, extending the framework to multiple wavelengths, and inverting the process to infer physical parameters from observed images. Overall, these new tools have the potential to enable a more efficient and uniform analysis of edge-on disk properties and the initial conditions of planet formation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

SAGAbg. I. A Near-unity Mass-loading Factor in Low-mass Galaxies via Their Low-redshift Evolution in Stellar Mass, Oxygen Abundance, and Star Formation Rate

Measuring the relation between star formation and galactic winds is observationally difficult. In this work we make an indirect measurement of the mass-loading factor (the ratio between the mass outflow rate and star formation rate) in low-mass galaxies using a differential approach to modeling the low-redshift evolution of the star-forming main sequence and mass–metallicity relation. We use Satellites Around Galactic Analogs (SAGA) background galaxies, i.e., spectra observed by the SAGA Survey that are not associated with the main SAGA host galaxies, to construct a sample of 11,925 spectroscopically confirmed low-mass galaxies from 0.01 ≲ z ≤ 0.21 and measure auroral line metallicities for 120 galaxies. The crux of the method is to use the lowest-redshift galaxies as the boundary condition of our model, and to infer a mass-loading factor for the sample by comparing the expected evolution of the low-redshift reference sample in stellar mass, gas-phase metallicity, and star formation rate against the observed properties of the sample at higher redshift. We infer a mass-loading factor of η m = $0.92^{+1.76}_{-0.74}$, which is in line with direct measurements of the mass-loading factor from the literature despite the drastically different sets of assumptions needed for each approach. While our estimate of the mass-loading factor is in good agreement with recent galaxy simulations that focus on resolving the dynamics of the interstellar medium, it is smaller by over an order of magnitude than the mass-loading factor produced by many contemporary cosmological simulations.

79 ASTRONOMY AND ASTROPHYSICS↗