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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Decentralized Low-Rank State Estimation for Power Distribution Systems

This article considers the low-observability state estimation problem in power distribution networks and develops a decentralized state estimation algorithm leveraging the matrix completion methodology. Matrix completion has been shown to be an effective technique in state estimation that exploits the low dimensionality of the power system measurements to recover missing information. This technique can utilize an approximate (linear) load flow model, or it can be used with no physical models in a network where no information about the topology or line admittance is available. The direct application of matrix completion algorithms requires solving a semi-definite programming (SDP) problem, which becomes computationally challenging for large networks. We therefore develop a decentralized algorithm that capitalizes on the popular proximal alternating direction method of multipliers (proximal ADMM). The method allows us to distribute the computation among different areas of the network, leading to a scalable algorithm. By doing all computations at individual control areas and only communicating with neighboring areas, the algorithm eliminates the need for data to be sent to a central processing unit and thus increases efficiency and contributes to the goal of autonomous control of distribution networks. We illustrate the advantages of the proposed algorithm numerically using standard IEEE test cases.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2026

Model Assessment Wizard (MAW)

SAND2026-18710O The Model Assessment Wizard (MAW) is a tool for evaluating ontologies and provides users with a comprehensive workbench for analysis. MAW features sub-modules for visualization, alignment, Shapes Constraint Language (SHACL) and Web Ontology Language (OWL) constraints, and simplification. Users can upload data, identify missing information, visualize ontologies, and update constraints. 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.

Murdock, Jaimie [Sandia National Lab. (SNL-CA), Li↗
DOE OSTI2026

The ABCs of phase retrieval: Connecting the acronyms of scanning transmission electron microscopy

High-resolution scanning transmission electron microscopy (S/TEM) is an indispensable tool for characterizing the structure and properties of materials down to the atomic scale. Conventional S/TEM imaging, however, is limited by the phase problem, whereby the phase of the electron exit wave is lost upon detection. Recent advances in diffractive imaging and 4D-STEM have enabled a range of phase-retrieval techniques that computationally reconstruct the missing information encoded in the phase of the transmission function. These approaches offer improved dose efficiency and enhanced sensitivity to weakly scattering signals, extending quantitative imaging to beam-sensitive materials composed of light elements. In this work, we introduce the phase problem in electron microscopy and survey the diverse landscape of phase-retrieval techniques used in the field. Despite their many acronyms and algorithmic variations, these techniques share a common physical and mathematical foundation. We present a unified framework that connects these seemingly distinct methods, from parallax imaging and tilt-corrected bright-field (tcBF-STEM), to aberration-corrected bright-field (acBF-STEM), optimum bright-field (OBF-STEM) and single-sideband (SSB) ptychography, as well as first-moment integrated center of mass techniques (iCOM) and iterative ptychographic algorithms. Based on these insights, we discuss the opportunities and practical limitations of applying these methods across different materials systems, detector designs, and microscope configurations.Graphical abstractRepresentative electron microscopy configurations used for phase retrieval and diffractive imaging in S/TEM: (a) Zernike phase-contrast transmission electron microscopy (TEM), (b) small-convergence-angle four-dimensional scanning transmission electron microscopy (4D-STEM) for nanobeam-based phase reconstruction methods, and (c) large-convergence-angle 4D-STEM for ptychographic and related diffractive imaging techniques reviewed in this work.

36 MATERIALS SCIENCE↗
DOE OSTI2013

The MCDB System for Management and Analysis of Petabyte-Scale Uncertain Data

Analysts working with very large data sets often use statistical models to “guess” at unknown, inaccurate, or missing information associated with the data. For example, a distant object viewed through an optical lens will have its position slightly shifted by imperfections in the lens. Thus, rather than considering the object’s observed position to be absolutely correct, it makes sense to take into account the lens’s imperfections to obtain a probabilistic guess as to the object’s true position. For another example, it might be important to associate some sort of error distribution with each of the individual sensors in an array of magnetometers. This error distribution may be complex and include spatially-driven covariances, because errors in nearby sensors are likely to be correlated (caused, for example, by the presence of some nearby, fixed metal object). This project is concerned with the design and implementation of a prototype data management system called the Monte Carlo Database System, or MCDB for short. MCDB allows an expert-level analyst or statistician to attach arbitrary stochastic models to very large data sets in order to “guess” the values for unknown or inaccurate data, such as the actual position of the observed object in the lens example above. When the resulting data set is analyzed, the underlying stochastic models are used to generate hundreds or thousands of possible data set instances, and each of those possible instances is analyzed separately by MCDB. Thus, MCDB does not just give a single answer to the analysis, but it actually gives an empirical distribution of query results that embody the underlying uncertainty, and can in turn be analyzed using standard statistical techniques. The stochastic models in MCDB are implemented as user-defined, external C++ libraries called Variable Generation functions (VG functions for short). Because the VG function interface is exceedingly general, it allows MCDB to be used in a very wide variety of application domains, in conjunction with virtually any stochastic model. Ultimately, we ended up calling the system that we developed over the course of the project SimSQL, to denote the fact that it allowed for stochastic simulation of data. The software developed during the lifetime of the project is available for download from the SimSQL project website: http://cmj4.web.rice.edu/SimSQL/SimSQL.html.

42 ENGINEERING↗
DOE OSTI2019

Algorithms for X-Ray Imaging of Single Particles

Our group develops image reconstruction algorithms and applies them to data collected with x-ray sources (synchrotron, XFEL) and electron microscopes. Some of the challenges we face are (1) extremely low signal levels and noise, (2) missing information (phase, sample orientation), and (3) large, very sparse datasets. We have made significant progress in all three of these areas in our DOE project. This final report highlights two results produced during the extension of the project that proved to be spectacular successes. Publications and software products generated over the entire project period are listed at the end of the report.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Modeling Electric Double Layer Effects on Charge Transfer at Flow Battery Electrode/Electrolyte Interfaces

The proposal aims to model interfacial processes associated with redox flow batteries (RFB) for grid/stationary storage, with the ultimate goal of helping design new electrolytes, electrodes, redox species, and interfaces. It addresses the linked problems of electric double layer (EDL) structure and electron transfer at model electrode/electrolyte interfaces. Fast electron transfer partly determines which redox species are viable for flow batteries (along with solubility, viscosity, etc.). Commercial systems apply aqueous, vanadium-based complexes, but other choices and organic electrolytes with larger voltage windows are the subject of active research at Sandia and elsewhere. The high salt concentration present in flow battery electrolytes yields non-trivial EDL consisting of solvents, counter-ions, co-ions, and redox species (at different charge states at the charging voltage threshold). EDL strongly influences electron transfer, especially when redox “mediators” are used. Modeling this key missing information is the main challenge. Our proposal seeks to apply Sandia’s LAMMPS molecular dynamics code. As a proof of principle, we study minimal model systems (graphite electrode, with ferrocene and fluornone as redox-active species). These model "catholyte" and "anolyte" molecules exhibit low reorganization energies (in the sense of Marcus theory) and are most amenable to EDL simulations which involve switching of redox states to mimic electron transfer. This study will enable future modeling and design of redox species relevant to flow batteries and redox mediators used at Sandia for other purposes.

25 ENERGY STORAGE↗
DOE OSTI2020

Data Repository for Power system Open models With Evolving Resources (DR POWER) (Final Scientific/Technical Report)

Pacific Northwest National Laboratory (PNNL) and the National Rural Electric Cooperative Association (NRECA) created a Data Repository for Power system Open models With Evolving Resources (DR POWER) to establish, curate, and evolve open-access power grid models and scenarios, and measurements and observations, collectively referred to as datasets. Existing open-access datasets are inadequate (too small and not representative of the complexity of the modern grid, and scattered all over the world wide web) for the investigation and benchmarking of the advanced optimization methods needed for next-generation grids. Open-access datasets are static and inadequate in other aspects: they do not provide format transformation tools; there is missing information needed for advanced applications; hard to cite; no model evolution history; difficult to update current collections; and little to no community involvement and feedback. Overall, the current landscape is hindering model evolution and benchmarking standards needed for transformational approaches to be developed, tested, and accepted by the power modeling community.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Non-Destructive, Three-Dimensional Imaging of Processes in the Rhizosphere Utilizing High Energy Photons

Soil structure, which can be described as the aggregation and distribution of pore spaces, regulates carbon, nutrient, and water cycling across the Earth system. Yet the inability to make quantitative, dynamic, in situ measurements of soil structure and rhizosphere carbon flow has prevented meaningful incorporation of soil structural processes into Earth System Models (ESMs). The key limitations are: (i) Lack of scale integration between micron-scale soil structure and ecosystem-scale models, (ii) Poor functional linkage between soil structural properties and biogeochemical processes, and (iii) Absence of dynamic 3D measurements of rhizosphere structural changes and carbon transformations. To address these challenges, we developed a new integrated positron emission tomography (PET) - microcomputed tomography (CT) imaging platform that enables the first 4D (spatial 3D and time), non-invasive, quantitative imaging of carbon allocation and rhizosphere structural dynamics in living plants and intact soils. The system combines: • Rhizo-PET (R-PET): a high-resolution positron emission tomography scanner optimized for 11 CO 2 tracing in plant roots. • a-Se micro-CT: a high-contrast, high-spatial resolution CT system based on amorphous selenium (a-Se) direct conversion technology, enabling micron-scale visualization of soil structure and root–soil interfaces. Together, these advances allow us to quantify how carbon exudates move, transform, and stabilize within the rhizosphere, directly informing missing processes in BER-relevant carbon cycle models.

42 ENGINEERING↗
DOE OSTI2026

AI-Driven Frameworks for Characterizing Urban Energy Systems

We develop AI-driven frameworks to characterize urban energy systems with the goal of transforming planning by reducing the labor of model generation, scaling scenario exploration, and improving accuracy for localized analysis. The approach integrates top-down and bottom-up data to train different AI models that predict missing information and generate inputs and targeted scenarios for district-scale models. The result is a scalable framework that provides actionable insights for reliable and efficient planning.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

Greenhouse gas emissions reduction strategies that maximize portfolio-wide life cycle cost reduction, resilience, and environmental justice benefits

While strategies to achieve net-zero emissions at an individual site are well understood, new analysis methods are required for organizations seeking to achieve net-zero across multiple facilities, each with concurrent priority goals. At a portfolio level, distinct locations present varied challenges that cannot be addressed through singular solutions, and competing goals can take precedence with the assumption that net-zero emissions strategies deter from energy resilience and cost savings, therefore negatively impacting nearby communities. This study tests these assumptions by analyzing 16 diverse sites (varying in size, climate, and energy use) to identify strategies that reduce emissions and assess the impact these strategies have on life cycle costs, resilience, and communities with environmental justice concerns. Methods were developed to approximate missing information essential to net-zero evaluation. Established methods were augmented to evaluate life cycle costs, resilience, and environmental justice impacts across a set of strategies and accommodate the multi-criteria analyses. Potential benefits from identified strategies were quantified using site characteristics and a set of corresponding metrics. The net-zero analysis found that 11 sites could use on-site strategies to eliminate all but 2% of emissions generated. The remaining emissions can be offset, for instance through sequestration, executed at the portfolio scale. On-site carbon-free energy was found to reduce 51% of emissions across all sites; efficiency reduced 19% of emissions; sequestration 16%; procured carbon-free energy 15%; fuel switching 1.6%; and fleet electrification 1.3%. Building electrification, however, increased emissions by 4.4%. Different strategies also provide cost, resilience, and/or environmental justice benefits—the degree to which varies with individual site conditions. The findings indicate an advantage to considering the strategies as a comprehensive set, which leads to co-benefits, both in the ability to achieve net-zero goals and in advancing other goals. The results present the case for comprehensive advanced planning at the portfolio level to prioritize investments that will balance the minimization of emissions and life cycle cost with the maximization of resilience and environmental justice benefits. The novel methods for evaluation and integration, valuation of benefits, and consideration at the portfolio scale allow organizations to select investments that simultaneously address multiple key priorities.

Net-Zero Emissions↗
NASA NTRS1973

New evidence for interplanetary boulders?

The method of detection, the magnitude and the rate of occurrence of sudden disturbances in the motions of some short period comets are discussed. The disturbances have recently been suggested as potential indicators of collisions between the comets and interplanetary boulders - minor objects whose existence was predicted. The character of explosive phenomena, caused by an impact of such a boulder on a comet's nuclear surface, depends significantly on the surface texture of the target body. A method is suggested which supplies a good deal of the missing information about the structure and optical properties of nuclear surfaces from precise photometric observations of cometary nuclei at large solar distances.

Sekanina, Z.↗
NASA NTRS1974

ERTS-1, earthquakes, and tectonic evolution in Alaska

In comparing seismicity patterns in Alaska with ERTS-1 imagery, it is striking to see the frequency with which earthquake epicenters fall on, or near, lineaments visible on the imagery. Often these lineaments prove to be tectonics faults which have been mapped in the field. But equally as often, existing geologic and tectonic maps show no evidence of these features. The remoteness and inaccessibility of most of Alaska is responsible, in large part, for the inadequacy of the mapping. ERTS-1 imagery is filling a vital need in providing much of the missing information, and is pointing out many areas of potential earthquake hazard. Earthquakes in central and south-central Alaska result when the northeastern corner of the north Pacific lithospheric plate underthrusts the continent. North of Mt. McKinley, the seismicity is continental in nature and of shallow origin, with earthquakes occurring on lineaments, and frequently at intersections of lineaments. The shallower events tend to align themselves with lineaments visible on the imagery.

Gedney, L.↗
NASA NTRS1988

Interferometric tomography of continuous fields with incomplete projections

Interferometric tomography in the presence of an opaque object is investigated. The developed iterative algorithm does not need to augment the missing information. It is based on the successive reconstruction of the difference field, the difference between the object field to be reconstructed and its estimate, only in the difined region. The application of the algorithm results in stable convergence.

Cha, Soyoung S.↗
NASA NTRS1989

Interferometric tomography of continuous fields with incomplete projections

Interferometric tomography in the presence of an opaque object has been investigated. In principle the developed iterative algorithm does not need to augment the missing information. It is based on the successive reconstruction of the difference field, the difference between the object field to be reconstructed and its estimate, in the defined region only. The application of the algorithm results in stable convergence.

Cha, Soyoung S.↗
NASA NTRS1991

Man in space - The use of animal models

The use of animal surrogates as experimental subjects in order to provide essential missing information on the effects of long-term spaceflights, to validate countermeasures, and to test medical treatment techniques is discussed. Research needs also include the definition of biomedical adaptations to flight, and the developments of standards for safe space missions to assure human health and productivity during and following flight. NASA research plans in this area are outlined. Over the next 40 years, NASA plans to concentrate on the use of rodents and nonhuman primates as the models of choice for various physiological responses observed in humans during extended stays in space. This research will include flights on the Space Shuttle, unmanned biosatellites, and the Space Station Freedom.

Ballard, Rodney W.↗
NASA NTRS1995

The Submillimeter Wave Astronomy Satellite

The Submillimeter Wave Astronomy Satellite (SWAS) mission is dedicated to the study of star formation and interstellar chemistry. To carry out this mission, SWAS will survey dense (n(sub H2) greater than 10(exp 3) cm(exp -3)) molecular clouds within our galaxy in either the ground-state of a low-lying transition of five astrophysically important species: H2O, H2O-18, O2, CI, and CO-13. By observing these lines SWAS will: (1) test long-standing theories that predict that these species are the dominant coolants of molecular clouds during the early stages of their collapse to form stars and planets, and (2) supply heretofore missing information about the abundanceof key species central to the chemical models of dense interstellar gas. SWAS will employ two independent Schottky barrier diode mixers, passively cooled to approx. 150 K, coupled to a highly efficient 54 x 68 cm off-axis Cassegrain antenna. During its two year mission, SWAS will observe giant and dark cloud cores with the goal of detecting or setting an upper limit on the water abundance of 3 x 10(exp -6) and on th molecular oxygen abundances of 2 x 10(exp -6), both relative to H2. In addition, advantage will be taken of SWAS's relatively large beamsize of 3.2 x 4.0 arcminutes at 551 GHz and 3.6 x 4.5 arcminutes at 492 GHz to obtain large-area (approx. 1 deg x 1 deg) maps of giant and dark clouds in the CO-13 and CI lines. SWAS is scheduled for launch in mid-1995.

Melnick, Gary J.↗
DOE OSTI2017

Estimating a Service-Life Distribution Based on Production Counts and a Failure Database

A manufacturer wanted to compare the service-life distributions of two similar products. These concern product lifetimes after installation (not manufacture). For each product, there were available production counts and an imperfect database providing information on failing units. In the real case, these units were expensive repairable units warrantied against repairs. Failure (of interest here) was relatively rare and driven by a different mode/mechanism than ordinary repair events (not of interest here). Approach: Data models for the service life based on a standard parametric lifetime distribution and a related limited failure population were developed. These models were used to develop expressions for the likelihood of the available data that properly accounts for information missing in the failure database. Results: A Bayesian approach was employed to obtain estimates of model parameters (with associated uncertainty) in order to investigate characteristics of the service-life distribution. Custom software was developed and is included as Supplemental Material to this case study. One part of a responsible approach to the original case was a simulation experiment used to validate the correctness of the software and the behavior of the statistical methodology before using its results in the application, and an example of such an experiment is included here. Because of confidentiality issues that prevent use of the original data, simulated data with characteristics like the manufacturer’s proprietary data are used to illustrate some aspects of our real analyses. Lastly, we also note that, although this case focuses on rare and complete product failure, the statistical methodology provided is directly applicable to more standard warranty data problems involving typically much larger warranty databases where entries are warranty claims (often for repairs) rather than reports of complete failures.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Neutron and Gamma Correlations using CGM in MCNP 6.2.0

The general-purpose Monte Carlo radiation-transport code MCNP6{sup TM} came from the integration of MCNP5{sup TM} and MCNPX{sup TM}. The most recent release of MCNP, version 6.2.0, is scheduled for release in early 2017, which includes a variety of bug fixes and new features to the code. MCNP traditionally models nuclear reactions using Monte Carlo sampling techniques on measured and modeled cross-sectional data contained within ACE (A Compact Evaluated Nuclear Data File) libraries. In addition to reaction cross-sections, ACE libraries contain information relating to the production of secondary particles, such as secondary neutrons and photons. For example, an incident neutron on a nucleus can produce a nuclear reaction in the form (n, M{sub n}n'), where n is the incident neutron and M{sub n} is the number of secondary neutrons n' produced. Using this notation, different reactions can be described based on their neutron multiplicity, such as neutron capture (M{sub n} = 0), elastic and inelastic scattering (M{sub n} = 1), and reactions with multiple secondary neutrons (M{sub n} > 1). Accounting for secondary γ-rays emitted from the residual nuclei, this reaction can further be generalized as n, Mnn'M to describe a reaction producing M{sub n} neutrons and M -rays. These values M{sub n} and M are referred to as the neutron and multiplicities, respectively. ACE libraries contain the cross-sectional data for each reaction, and their corresponding statistically averaged multiplicities for neutrons and photons, M-bar{sub n} and M-bar{sub γ}. However, there are several limitations to reaction sampling using ACE libraries. First, the data contained within ACE libraries is limited by the accuracy of the model and/or experiment, which out of necessity can greatly simplify the true physics behind a reaction. For example, the value M{sub γ} in a (n, M{sub n}n'M{sub γ}γ) reaction is determined by the statistically averaged multiplicity M-bar{sub γ} instead of a distribution. Consequently, MCNP, unable to produce a continuous distribution, will utilizes a binary sampling around M-bar{sub γ}. While this sampling method provides a statistically average M{sub γ} over a large simulation, it is an inaccurate representation of an individual reaction and its corresponding secondary particles. Secondary neutrons are affected in a similar manner, such that different kinds of secondary neutrons can be sampled from the same interaction (eg., an inelastic neutron with an [n, 2n] neutron). Lastly, the random sampling technique for secondary particles remains completely independent of the sampled reaction, eliminating the ability to correlate secondary particles for a given reaction. To supplement these data libraries, additional codes and models describing certain nuclear reactions are employed. These codes can fill in the information missing from ACE, provide a better model to the true physics distribution, and can provide true correlated secondary particles, which has many useful applications in research and industry.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗