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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 OSTI2026

Development of Digital Twin-Informed Predictive Maintenance for Critical Components in Advanced Reactors

Small modular reactors (SMRs) and microreactors, along with other advanced reactor (AR) technologies, are key to the future of nuclear energy. For these systems to achieve low operating costs, high reliability, and flexibility across applications, their operation and maintenance must be optimized. Digital twin (DT) technology is one of the technologies that enables real-time (or faster than real-time) monitoring and prognosis of critical components which are vital for operational efficiency, low costs, and enhanced safety of ARs, accelerating their deployment. DT technology provides dynamic virtual representation of physical assets by integrating real-time data, physics-based models, and advanced analytics, which is critical to optimizing the performance of the entire energy system throughout the life cycle. DTs empower engineers and operators to virtually explore different scenarios, configurations, and control strategies, allowing for the identification of optimal solutions that maximize reactor efficiency, safety, and economics.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2013

RUSHMAPS: Real-Time Uploadable Spherical Harmonic Moment Analysis for Particle Spectrometers

RUSHMAPS is a new onboard data reduction scheme that gives real-time access to key science parameters (e.g. moments) of a class of heliophysics science and/or solar system exploration investigation that includes plasma particle spectrometers (PPS), but requires moments reporting (density, bulk-velocity, temperature, pressure, etc.) of higher-level quality, and tolerates a lowpass (variable quality) spectral representation of the corresponding particle velocity distributions, such that telemetry use is minimized. The proposed methodology trades access to the full-resolution velocity distribution data, saving on telemetry, for real-time access to both the moments and an adjustable-quality (increasing quality increases volume) spectral representation of distribution functions. Traditional onboard data storage and downlink bandwidth constraints severely limit PPS system functionality and drive cost, which, as a consequence, drives a limited data collection and lower angular energy and time resolution. This prototypical system exploit, using high-performance processing technology at GSFC (Goddard Space Flight Center), uses a SpaceCube and/or Maestro-type platform for processing. These processing platforms are currently being used on the International Space Station as a technology demonstration, and work is currently ongoing in a new onboard computation system for the Earth Science missions, but they have never been implemented in heliospheric science or solar system exploration missions. Preliminary analysis confirms that the targeted processor platforms possess the processing resources required for realtime application of these algorithms to the spectrometer data. SpaceCube platforms demonstrate that the target architecture possesses the sort of compact, low-mass/power, radiation-tolerant characteristics needed for flight. These high-performing hybrid systems embed unprecedented amounts of onboard processing power in the CPU (central processing unit), FPGAs (field programmable gate arrays), and DSP (digital signal processing) elements. The fundamental computational algorithm de constructs 3D velocity distributions in terms of spherical harmonic spectral coefficients (which are analogous to a Fourier sine-cosine decomposition), but uses instead spherical harmonics Legendre polynomial orthogonal functions as a basis for the expansion, portraying each 2D angular distribution at every energy or, geometrically, spherical speed-shell swept by the particle spectrometer. Optionally, these spherical harmonic spectral coefficients may be telemetered to the ground. These will provide a smoothed description of the velocity distribution function whose quality will depend on the number of coefficients determined. Successfully implemented on the GSFC-developed processor, the capability to integrate the proposed methodology with both heritage and anticipated future plasma particle spectrometer designs is demonstrated (with sufficiently detailed design analysis to advance TRL) to show specific science relevancy with future HSD (Heliophysics Science Division) solar-interplanetary, planetary missions, sounding rockets and/or CubeSat missions.

Figueroa-Vinas, Adolfo↗
NASA NTRS1978

A learning flight control system for the F8-DFBW aircraft

This report contains a complete description of a learning control system designed for the F8-DFBW aircraft. The system is parameter-adaptive with the additional feature that it 'learns' the variation of the control system gains needed over the flight envelope. It, thus, generates and modifies its gain schedule when suitable data are available. The report emphasizes the novel learning features of the system: the forms of representation of the flight envelope and the process by which identified parameters are used to modify the gain schedule. It contains data taken during piloted real-time 6 degree-of-freedom simulations that were used to develop and evaluate the system.

Montgomery, R. C.↗
DOE OSTI2015

A Public-Private-Academic Partnership to Advance Solar Power Forecasting

Executive Summary NOAA is making major contributions to the solar forecasting project in three areas. First, it is improving its forecasts of solar irradiance, clouds, and aerosols in its numerical weather prediction models. Second, it is providing advanced satellite products for DOE's FOA awardees to use in their forecast systems. Third, it is using high-quality ground-based measurements from SURFRAD and ISIS stations to verify and validate forecast model output. This reports covers results from all three areas for the period May 1, 2014 - April 30, 2015. Modeling In its modeling effort, NOAA continues work to improve the skill of solar forecasts from the Earth System Research Lab (ESRL) research versions of the 13-km Rapid Refresh (RAP) and the 3-km High-Resolution Rapid Refresh (HRRR) models, which are in turn transitioned into operations at the National Centers for Environmental Prediction (NCEP). A major milestone was achieved in September 2014 with the initial operational implementation of the HRRR at NCEP. In the ESRL research versions of the models, testing and development, in both real-time runs and retrospective experiments, is guided by an extensive in-house verification system. Early in the SFIP project, we developed the capability to verify our model forecasts against the high-quality surface radiation measurements from the SURFRAD and ISIS networks. This highlighted some shortcomings with the RAP and HRRR forecasts of incoming shortwave radiation. Most of our effort during Phase 1 of SFIP was focused on addressing these problems with a variety of model system improvements. The RAP and HRRR models during the warm season of 2014 had a noticeable warm and dry bias in near-surface conditions over most of the central and eastern United States, and our new SURFRAD/ISIS verification revealed that there was also a large excess of incoming global horizontal irradiance in the models. We hypothesized that a lack of cloud cover (particularly low-level cloud cover) in the models was resulting in too much heating of the land surface. This, in turn, caused unrealistically strong surface heat fluxes and turbulent mixing in the planetary boundary layer (PBL), which further reduced the already deficient cloud cover. We addressed these issues with a combination of data assimilation system modifications and model physics improvements. Many of our data assimilation changes were made with a view towards improving the near-term representation of clouds and precipitation. One of these changes involved better accounting for regions of weak reflectivity in the RAP cloud / hydrometeor assimilation system, in order to improve the representation of light precipitation in the RAP initial conditions and provide more realistic initial cloud cover. Additional modifications more accurately accounted for radar beam blockage and data gaps (particularly in the western United States), which improves shorter lead times forecasts of clouds and precipitation. We have also tested the assimilation of new data sources within the RAP and the HRRR, including radar radial velocity data and surface mesonet observations. Within the HRRR, we have tested the cycling of the 3-km land surface fields to allow a higher-resolution treatment of land surface processes. In terms of model physics development for SFIP, we have implemented a shallow cumulus scheme within the RAP, and have made numerous improvements to the Mellor-Yamada-Nakanishi-Niino (MYNN) PBL scheme to address insufficient low-level cloud cover in the models. We have conducted tests incorporating the radiation effects of (parameterized) boundary-layer clouds within the modified MYNN PBL scheme (independent of the convective schemes). The Grell-Freitas-Olson shallow cumulus scheme has also been tested within the 3-km HRRR. Finally, we have also modified the RUC land surface model (LSM) treatment of the vegetation wilting point, reducing it to increase evapotranspiration and increase cloud cover in the boundary layer. All of these changes work in tandem to significantly improve the model forecasts of cloud cover, incoming shortwave radiation, and near-surface temperature and moisture. Satellite The role of NOAA/NESDIS in the Solar Forecasting Improvement Project is to provide Advanced Satellite Products (ASPs) for the two forecasting teams at NCAR and IBM. The ASPs are cloud, surface, and atmosphere products derived from geostationary satellite imagery at the highest possible spatial and temporal resolution - such quantities as cloud mask, cloud probability, cloud transmission, cloud top height, cloud top temperature, cloud effective particle size, etc. Ancillary data, such as elevation and numerical weather prediction fields are provided in the files at the same resolution as well. There are at this time 147 different variables in the ASP output, including quality flags and processing information. The main goals for Year 1 of the project were to implement an Advanced Satellite Products system for the use of the IBM and NCAR teams, begin validation, and make any needed changes based on feedback from the teams. ASP files are being produced every GOES Imager acquisition, which occur on a 15-30 minute schedule. Processing is done on a dedicated computer, with a turn-around time of 8-21 minutes from image acquisition to results available on ftp. Several helpful visualizations of the data are also created for users on web pages. Users have been provided with a document titled "User's Guide for 1km Cloud Products Derived from GOES Imager Data using CLAVR-x", which discusses the basics of the source imagery, the process by which it is turned into Advanced Satellite Products, and considerations users should make when using the data. Validation of selected variables from the older 4km version of the products was also included. Future work will concentrate on validation of the 1km products and improving the turn-around time, product variety, and product quality as needed. Ground Observations In the ground-based measurement effort, NOAA's main objectives are to provide high quality radiation products for validation and verification of short-term to day-ahead solar forecasts. More specifically for the three year project, our goals include (1) Maintaining and providing data from our 7 SURFRAD and 7 ISIS; (2) Update ISIS radiation measurements from 3 min to 1 min data: (3) Purchase and install new pyrheliometers for direct solar irradiance measurements at the 7 SURFRAD sites; (4) Building, testing, and deploying two mobile SURFRAD stations at two utility plants in collaboration with DOE sponsored partners, and includes ongoing maintenance and processing of the data at the mobile sites; (5) Upgrading the data acquisition and communications at 7 SURFRAD sites and 7 ISIS sites; (6) Providing radiation data at the 7 SURFRAD sites in near real-time; (7) Develop and provide aerosol optical depth and cloud images and cloud fraction at our two mobile sites; (8) Provide data recovery rates each year; (9) Provide temporally and spatially averaged radiation products for comparison to HRRR and RAP solar forecasts and advanced satellite products; (10) Provide a data-set for analysis of conversion of direct and diffuse to sloped surfaces; (11) and as time permits develop and provide spectral solar irradiance, cloud optical depth and spectral albedo from the mobile sites. Milestones this year include working with the DOE sponsored teams to find locations to deploy two mobile SURFRAD stations. One existing unit was deployed at a 30MW PV facility in the San Luis Valley in collaboration with Xcel and the NCAR team in August, 2014. The second unit was built and tested at our facilities in Boulder, CO and deployed near Green Mountain Power's Education Center in Rutland, VT in collaboration with Green Mountain Power and the IBM Team in October, 2014. Data processing was implemented and the radiation data from these two mobile sites have been made available on our ftp server in near real-time. We also are providing images and cloud fraction from the TSI cameras for these two mobile sites on our ftp site. Another milestone was upgrading our data acquisition and communication systems at 7 SURFRAD and 7 ISIS sites. We accelerated our schedule for these upgrades to provide timely radiation products. These upgrades allow more reliable and near-real time radiation data delivery to the DOE sponsored teams to meet their goals. Lastly, we changed the data rate at the ISIS sites from 3 min to 1 min.

14 SOLAR ENERGY↗
DOE OSTI2021

TEMPI: An Interposed MPI Library with Canonical Representation of MPI Datatypes [Poster]

TEMPI provides a transparent non-contiguous data-handling layer compatible with various MPIs. MPI Datatypes are a powerful abstraction for allowing an MPI implementation to operate on non-contiguous data. CUDA-aware MPI implementations must also manage transfer of such data between the host system and GPU. The non-unique and recursive nature of MPI datatypes mean that providing fast GPU handling is a challenge. The same noncontiguous pattern may be described in a variety of ways, all of which should be treated equivalently by an implementation. This work introduces a novel technique to do this for strided datatypes. Methods for transferring non-contiguous data between the CPU and GPU depends on the properties of the data layout. This work shows that a simple performance model can accurately select the fastest method. Unfortunately, the combination of MPI software and system hardware available may not provide sufficient performance. The contributions of this work are deployed on OLCF Summit through an interposer library which does not require privileged access to the system to use

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Simulating and benchmarking neutron total scattering instrumentation from inception of events to reduced and fitted data

In the design and realization of modern neutron scattering instrumentation, particularly when designing beamline concepts from the ground up, it is desirable to fully benchmark against realistically simulated data. This is especially true for total scattering beamlines, where the future deliverable data is to be analysed in both reciprocal- and real-space representations, and needs must be carefully balanced to ensure sufficient range, resolution and flux of the instrument. An approach to optimize the design of neutron scattering instrumentation via a workflow including ray-tracing simulations, event-based data reduction, heuristic analysis and fitting against realistically simulated spectra is demonstrated here. The case of the DISCOVER beamline concept at the Spallation Neutron Source is used as an example. The results of the calculations are benchmarked through simulation of existing instrumentation and subsequent direct comparison with measured data. Finally, on the basis of the validated models, the ability to explore design characteristics for future beamline concepts or future instrument improvements is demonstrated through the examples of detector tube size and detector layout.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Time-of-Flight Estimation for Nondestructive Evaluation

Ultrasonic testing (UT) for nondestructive evaluation (NDE) is a critical entity necessary to resolve both the quality and precision questions of complex parts evolving from the classical approaches to the innovative additive manufacturing (AM) process. This modality provides the essential quantitative information for acceptance and potential flaw detectionof apart under investigation. A primary ingredient in UT besides the required precision robotic hardware for theacquisition of high-qualitymeasurement data is the underlying signal processing. It is here that much of the system performance capability resides. In this report,we discuss the basic steps in UT signal processing along with current capabilities that must be achieved in order to satisfy the criticaldemands of the various LLNL programs.In itsbasic foundations, signal processing is essentially the “extraction of critical information (signals) from noisy, uncertain data.” Clearly, in a perfect world the best signal processing is none---just make a reliable, noise-free, uncertainty-free, measurement. Unfortunately, even the best of systems is still straddled within the confines and limitations of physical instrumentation. With this in mind, we discuss the development of signal processing techniques toextract the desired UT information from noisy measurement data. We start with a discussion of a simple homogeneous representation of a “part” under investigation and its insonification by an ultrasonicexcitation from a physics-based perspective. Once developed, we briefly discussthe various choices of excitation signals and their tradeoffs.Next,we discuss a simulation approach employing simple models from the signal processing perspective and then move on to the development of the basic signal processing approach to ultrasonic signal processing all based on estimating the pulse arrival estimation. Starting with simple peak detection techniques, progressing to the processing workhorse so-called “matched-filter” and finally to the more sophisticated “model-based matched filter.”The underlying pre-and post-processing of noisy measurement data along with the application of these techniques are subsequently demonstrated on experimental ultrasonic data.Finally, we present some results for processing “weld” data when the ultrasonic excitation signal is not directly available.

42 ENGINEERING↗
DOE OSTI2026

A ModEx Framework for Watershed Subsurface Investigation With Limited Geophysical Data Using Machine Learning and Hydrologic Modeling

Abstract Subsurface heterogeneity influences watershed hydrology strongly but remains difficult to characterize at catchment scales with sparse and costly field data. Geophysical surveys such as electromagnetic induction (EMI) provide local spatial subsurface images yet scaling them to watershed scales and converting EMI‐derived resistivity into hydraulic properties remains a challenge. We present a Model–Experiment (ModEx) framework that integrates limited EMI data with machine learning (ML) and hydrologic modeling to improve process representation and guide field investigations. Sparse EMI surveys were scaled to the catchment scale using a Random Forest model, and the resulting resistivity fields were combined with nearby borehole constraints to parameterize a hydrologic model. The EMI‐informed hydrological simulations improved predictions of streamflow sustained by subsurface flow and shallow saturation patterns. By combining EMI data and ML with hydrologic modeling, the ModEx framework guides future subsurface surveys, providing a transferable and efficient strategy for data–model integration across diverse watersheds. Plain Language Summary Mapping the underground network of soil and rock that controls water is essential for predicting floods and droughts, but seeing underground is difficult and expensive. We cannot drill everywhere, so scientists use geophysical tools to scan broad areas. There are two key challenges: these geophysical scans are often sparse across the whole watershed, and the geophysical data is hard to translate into water‐related properties. We used artificial intelligence to solve these problems. We taught a computer to find patterns linking the limited geophysical data to the land surface properties. This allowed it to fill in the gaps and create a complete, useful subsurface map for the entire watershed. This new map improves hydrologic simulations, leading to more accurate predictions of water movement in the watershed. It also helps scientists build better models with less data and generates a priority map showing where to measure next, making future investigations more efficient. Key Points Limited EMI scaled with ML improves catchment‐scale subsurface parameterization for hydrologic models The framework integrates hydrologic modeling with limited geophysical data to support subsurface investigation design ModEx framework offers a transferable data–model integration strategy that quantifies and reduces uncertainty guiding watershed studies

Chen, Hang↗
DOE OSTI2018

Model-Based Ultrasonic SignalProcessing for the Nondestructive Evaluation of Additive Manufacturing Components

Ultrasonic testing (UT) for nondestructive evaluation (NDE) is a critical entity necessary to resolve both the quality and precision questions of complex parts evolving from the innovative additive manufacturing (AM) process. This modality provides the essential quantitative information for acceptance and potential flaw detection of the part under investigation. A primary ingredient in UT besides the required precision robotic hardware for the acquisition of high quality measurement data is the underlying signal processing. It is here that much of the system performance capability resides. In this report, we discuss the basic steps in UT signal processing along with current and future capabilities that must be achieved in order to satisfy the critical demands created by the AM process. In its basic foundations, signal processing is essentially the “extraction of critical information (signals) from noisy, uncertain data.” Clearly, in a perfect world the best signal processing is none---just make a reliable, noise-free, uncertainty-free, measurement. Unfortunately, even the best of systems is still straddled within the confines and limitations of physical instrumentation. With this in mind, we discuss the development of signal processing techniques to extract the desired UT information from noisy measurement data. We start with a discussion of a simple homogeneous representation of a “part” under investigation and its insonification by an ultrasonic excitation from a physics-based perspective. Once developed, we briefly discuss the various choices of excitation signals and their tradeoffs. Next we discuss a simulation approach employing simple models from the signal processing perspective and then move on to the development of the basic signal processing approach to ultrasonic signal processing all based on estimating the pulse arrival estimation. Starting with simple peak detection techniques, progressing to the processing workhorse so-called “matched-filter” and finally to the more sophisticated “model-based matched filter.” The underlying pre- and post-processing of noisy measurement data along with the application of these techniques are subsequently demonstrated on experimental ultrasonic data. Finally, we discuss some open problems in UT and suggest a much more sophisticated model-based approach expanding these revolutionary ideas and encompassing more realistic signal models that incorporate noise, jitter and other pertinent uncertainties into the processor.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Multichannel Deconvolution of Vibrational Shock Signals: An Inverse Filtering Approach

When transporting critical systems of national security interest, out-of-the ordinary, impulsive events that can potentially be undetected and affect overall system performance are of great concern. Impulsive events that can occur are essentially pulse-like, transient signals of short duration that evolve from various phenomena. Here the event can be created by either the dropping of a test object, the system, subjecting it to a compact high-energy blow or being struck unintentionally during transit resulting in potential damage. The intensity and location of the strike can cause an inoperability condition that is unacceptable in a national security environment. Therefore, it is essential to detect, classify and localize damage of any test object subjected to an impulsive-event. This effort was targeted to evaluate the vibrational response of test objects that are subjected to “transport” shocks and roadway vibrations during shipping and handling. Any potential damage that could be inflicted during transportation must not only be detected, but also be evaluated to determine the operational readiness of a test object before and after transport. This event is a critical task that must be addressed as part of the Lawrence Livermore National Laboratory (LLNL) national security mission. The estimation of excitation signals from noisy data is termed the deconvolution problem in the signal processing literature. The deconvolution problem is based on recovering the input excitation signal from a system characterized by its impulse response sequence. Using this model of the system, an “inverse” representation or filter is developed to remove the system from the measured data and recover the input. Deconvolution techniques have existed for a long-time; however, transient deconvolution presents a few uncommon problems, since the signal has a finite-length time duration resulting in a limited amount of data containing information about the excitation process. The transient is wideband in the frequency domain relative to any measurement sensor implying that the smaller bandwidth sensor system “filters” the excitation eliminating some of its essential information for recovery. This fact, coupled with the filtering effect of the test object itself makes this excitation recovery (deconvolution) problem a challenge for signal processing.

42 ENGINEERING↗
NASA NTRS1993

A petabyte size electronic library using the N-Gram memory engine

A model library containing petabytes of data is proposed by Triada, Ltd., Ann Arbor, Michigan. The library uses the newly patented N-Gram Memory Engine (Neurex), for storage, compression, and retrieval. Neurex splits data into two parts: a hierarchical network of associative memories that store 'information' from data and a permutation operator that preserves sequence. Neurex is expected to offer four advantages in mass storage systems. Neurex representations are dense, fully reversible, hence less expensive to store. Neurex becomes exponentially more stable with increasing data flow; thus its contents and the inverting algorithm may be mass produced for low cost distribution. Only a small permutation operator would be recalled from the library to recover data. Neurex may be enhanced to recall patterns using a partial pattern. Neurex nodes are measures of their pattern. Researchers might use nodes in statistical models to avoid costly sorting and counting procedures. Neurex subsumes a theory of learning and memory that the author believes extends information theory. Its first axiom is a symmetry principle: learning creates memory and memory evidences learning. The theory treats an information store that evolves from a null state to stationarity. A Neurex extracts information data without a priori knowledge; i.e., unlike neural networks, neither feedback nor training is required. The model consists of an energetically conservative field of uniformly distributed events with variable spatial and temporal scale, and an observer walking randomly through this field. A bank of band limited transducers (an 'eye'), each transducer in a bank being tuned to a sub-band, outputs signals upon registering events. Output signals are 'observed' by another transducer bank (a mid-brain), except the band limit of the second bank is narrower than the band limit of the first bank. The banks are arrayed as n 'levels' or 'time domains, td.' The banks are the hierarchical network (a cortex) and transducers are (associative) memories. A model Neurex was built and studied. Data were 50 MB to 10 GB samples of text, data base, and images: black/white, grey scale, and high resolution in several spectral bands. Memories at td, S(m(sub td)), were plotted against outputs of memories at td-1. S(m(sub td)) was Boltzman distributed, and memory frequencies exhibited self-organized criticality (SOC); i.e., 'l/f(sup beta)' after long exposures to data. Whereas output signals from level n may be encoded with B(sub output) = O(-log(2)f(sup beta)) bits, and input data encoded with B(sub input) = O((S(td)/S(td-1))(sup n)), B(sup output)/B(sub input) is much less than 1 always, the Neurex determines a canonical code for data and it is a lossless data compressor. Further tests are underway to confirm these results with more data types and larger samples.

Bugajski, Joseph M.↗
DOE OSTI2020

Blockchain based Communication Architectures with Applications to Private Security Networks

Existing communication protocols in high consequence security networks are highly centralized. While this naively makes the controls easier to physically secure, external actors require fewer resources to disrupt the system because there are fewer points in the system can be destroyed or interrupted without the entire system failing. We present a solution to this problem using a proof-of-work-based blockchain implementation built on MultiChain. We construct a test-bed network containing two types of data input: visual imagers and microwave sensor information. These data types are ubiquitous in perimeter intrusion detection security systems and allow a realistic representation of a real-world network architecture. The cameras in this system use an object detection algorithm to nd important targets in the scene. The raw data from the camera and the outputs from the detection algorithm are then placed in a transaction on the distributed ledger. Similarly, microwave data is used to detect relevant events and are placed in a transaction. These transactions are then bundled into blocks and broadcast to the rest of the network using the Bitcoin-based MultiChain protocol. We develop five tests to examine the security metrics of our network. We performed the five security metric test using different sized networks from 7 to 39 nodes to determine how the metrics scale with respect to size. We nd that when compared to a centralized architecture our implementation provides a resiliency increase that is expected from a blockchain-based protocol without slowing the system so much that a human operator would notice. Furthermore, our approach is able to detect tampering in real time. Based on these results, we theorize that security networks in general could use a blockchain-based approach in a meaningful way.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Surrogate multi-fidelity data and model fusion for scientific discovery and uncertainty quantification in Earth System Models

This whitepaper addresses the Earth and Environmental Systems Sciences Division (EESSD)’s predictability challenges in modeling the integrated water cycle and data-model integration. Specifically, it focuses on reducing and characterizing the uncertainty in the representation of process models for unresolved physics, either due to model resolution or limited by the physical under standing or computational efficiency, and the use of observational data for in-situ process parameter optimization within ESM. The described methods may also be used to determine the nature of responses (e.g. strength and direction), and hence to identify critical processes that drive the overall ESM responses to perturbation in the forcing

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1987

Transformation Aids Crop Analysis From Spectral Data

Crop analysis aided by mathematical transformation that optimizes perspective of six-dimensional, six-band, spectral data taken from spacecraft or aircraft. Transformation applied to any temperatureclimate vegetated scene, providing direct view of regions of data concentration resulting from band correlations and fundamental reflectance properties of scene classes. Almost all of data variability captured in three spectral features, thus reducing by factor of 2 number of spectral features carried, incurring minimal loss of important information. Three-dimensional representation with two principal planes retains about 95 percent of six-dimensional spectral data used to distinguish among scenes containing green plants and bare soil with varying degrees of moisture.

Crist, E. P.↗
DOE OSTI2021

Novel Data Driven Noise Emulation Framework using Deep Neural Network for Generating Synthetic PMU Measurements

Sensors play a critical role in supporting day-to-day grid operations and they are essential to operator’s decision-making process. Furthermore, sensors and sensor behaviors need to be emulated with grid simulations to perform modeling studies and to design cutting edge power systems applications. Ensuring the accurate behavior of these applications requires accurate emulation of sensors and pertinent signals. However, most grid simulators and modeling tools assume either zero error scenarios or simplistic noise models that may not always correlate to real-world sensors. To address the above issue, this work presents an initial study on the noise characteristics of phasor measurement units (PMUs), along with models for recreating their unique noise signatures. The proposed methods (both analytical and machine-learning-based) provide a substantial increase in a sensor’s model fidelity, a feature that can be leveraged by an end-user application to yield more accurate system representations. The proposed methods were then applied to micro PMU data from the EPFL microgrid campus to extract sensor noise profiles. This data was used to train a deep learning model, which was tested to emulate the noise characteristics present in actual signals. Based on the observed results and the employed data-driven methodology, the proposed methods may be adapted to replicate the behavior of other grid sensors and power new applications capable of detecting sensor degradation and eventual device failures in near real-time.

PMU, noise emulation, synthetic measurements, deep↗
DOE OSTI2020

How good are polarizable and flexible models for water: Insights from a many-body perspective

We present a systematic analysis of state-of-the-art polarizable and flexible water models from a many-body perspective, with a specific focus on their ability to represent the Born–Oppenheimer potential energy surface of water from the gas to the liquid phase. Using coupled cluster data in the completed basis set limit as a reference, we examine the accuracy of the polarizable models in reproducing individual many-body contributions to interaction energies and harmonic frequencies of water clusters and compare their performance with that of MB-pol, an explicit many-body model that has been shown to correctly predict the properties of water across the entire phase diagram. Based on these comparisons, we use MB-pol as a reference to analyze the ability of the polarizable models to reproduce the energy landscape of liquid water under ambient conditions. We find that, while correctly reproducing the energetics of minimum-energy structures, the polarizable models examined in this study suffer from inadequate representations of many-body effects for distorted configurations. To investigate the role played by geometry-dependent representations of 1-body charge distributions in reproducing coupled cluster data for both interaction and many-body energies, we introduce a simplified version of MB-pol that adopts fixed atomic charges and demonstrate that the new model retains the same accuracy as the original MB-pol model. Based on the analyses presented in this study, we believe that future developments of both polarizable and explicit many-body models should continue in parallel and would benefit from synergistic efforts aimed at integrating the best aspects of the two theoretical/computational frameworks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Advective gas flow in bentonite: Development and comparison of enhanced multi-phase numerical approaches

Understanding the impact of repository gas, generated from degradation of waste and its interaction with the host rock, is essential when assessing the performance and safety function of long-term disposal systems for radioactive waste. Numerical models based on conventional multi-phase flow theory have historically been applied to predict the outcome and impact of gas flow on different repository components. However, they remain unable to describe the full complexity of the physical processes observed in water-saturated experiments (e.g., creation of dilatant pathways) and thus, the development of novel representations for their description is required when assessing fully saturated clay-based systems. This was the primary focus of Task A within the international cooperative project DECOVALEX-2019 (D-2019) and refinement of these approaches is the primary focus of this study (Task B in the current phase of DECOVALEX-2023). This paper summarises development of enhanced numerical representations of key processes and compares the performance of each model against high-quality laboratory test data. Experimental data reveals that gas percolation in water-saturated compacted bentonite is characterised by four key features: (i) a quiescence phase, followed by (ii) the gas breakthrough, which leads to a (iii) peak value, which is then followed by (iv) a negative decay. Three models based on the multiphase flow theory have been developed. These models can provide good initial values and reasonable responses for gas breakthrough (although some of them still predict a too-smooth response). Peak gas pressure values are in general reasonably well captured, although maximum radial stress differences are observed at 48 mm from the base of the sample. Here, numerical peak values of 12.8 MPa are predicted, whereas experimental values are about 11 MPa. These models are also capable of providing a reasonable representation of the negative pressure decay following peak pressure. However, other key specific features (such as the timing of gas breakthrough) still require a better representation. The model simulations and their comparison with experimental data show that these models need to be further improved with respect to model parameter calibration, the numerical representation of spatial heterogeneities in material properties and flow localisation, and the upscaling of the related physical processes and parameters. To further understand gas flow localisation, a new conceptual model has been developed, which shows that discrete channels can possibly be induced through the instability of gas-bentonite interface during gas injection, thus providing a new perspective for modeling gas percolation in low-permeability deformable media.

58 GEOSCIENCES↗
DOE OSTI2023

Session Introduction: Graph Representations and Algorithms in Biomedicine

Connectivity is a fundamental property of biological systems: on the cellular level, proteins interact with each other to form protein-protein interaction networks (PPIs); on the organism level, neurons are arranged in a network; and on a community-level, species can have complex relationships with one another that drive the development and balance of an ecosystem. Graphs, representations of systems consisting of entities as vertices and their connections as edges, are a useful structure to characterize many such systems. Such models can be used to understand biological systems that naturally have a network structure, including PPIs, biological neurons, and ecosystems. In today’s information age, graph representations and algorithms (often in combination with machine learning techniques) are used to organize massive amounts of related data, much of which may be heterogeneous or unstructured, and identify patterns that represent novel biological insights. PSB’s 2023 session “Graph Representations and algorithms in Biomedicine,” encompasses modern developments in graph theory and its applications to various fields of biomedicine. This session includes a wide range of research - knowledge graphs built from text-mined health data, heterogeneous networks using multi-omic databases, and graphs refined to represent uncertainty or improve memory usage.

Chrisman, Brianna S.↗