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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

A Theoretical Approach for Reliability Within Information Supply Chains With Cycles and Negations

Complex networks of information processing systems, or information supply chains, present challenges for performance analysis. Here, we establish a mathematical setting, in which a process within an information supply chain can be analyzed in terms of the functionality of the system’s components. Principles of this methodology are rigorously defended and induce a model for determining the reliability for the various products in these networks. Our model does not limit us from having cycles in the network, as long as the cycles do not contain negation. It is shown that our approach to reliability resolves the nonuniqueness caused by cycles in a probabilistic Boolean network. An iterative algorithm is given to find the reliability values of the model, using a process that can be fully automated. This automated method of discerning reliability is beneficial for systems managers. As a systems manager considers systems modification, such as the replacement of owned and maintained hardware systems with cloud computing resources, the need for comparative analysis of system reliability is paramount. The model is extended to handle conditional knowledge about the network, allowing one to make predictions of weaknesses in the system. Finally, to illustrate the model’s flexibility over different forms, it is demonstrated on a system of components and subcomponents.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Real-Time Federated Cyber-Transmission-Distribution Testbed Architecture for the Resiliency Analysis

With the ongoing automation driven by the push toward the smart electric grid and the advancement in associated cyber infrastructure, the interaction between physical [electric transmission and distribution (T&D) systems], cyber (communication, automation, and control), and human (grid operators and decision-makers) is increasingly becoming more complex. This creates the requirement of analyzing the effect of the transmission system on the distribution system and vice versa with consideration of the additional complexity of the cyber infrastructure. Such an integrated testbed will also help with resiliency analysis, where resiliency refers to the ability of the system to continue serving energy to the critical loads even with limited extreme contingencies. Interaction of the physical power grid with the cyber layer can be effectively modeled using real-time (RT) simulator for developing and validating various operational and control algorithms. Testbeds using RT simulators with multiple capabilities have been developed at different institutions. Still, no single existing testbed can offer full scalability while simultaneously meeting high fidelity requirements for resiliency experimentation. Co-simulating federated testbed assets can provide a scalable experimentation platform that can be leveraged for verification and validation. In this article, an architecture is developed for federated cyber-physical testbed. A local federation with two real-time simulators is developed: real-time digital simulator (RTDS) and OPAL-RT have been interfaced using VILLAS framework for end-to-end testing. Also, a real-time linear predictor is developed and integrated here to address the communication latency impact on geographically allocated federated RT simulation. Finally, resiliency analysis tools are formulated and utilized for T&D systems. Finally as an illustrative use case, the resiliency of a T&D test system is simulated, and the results are analyzed. A 179-bus Western Electricity Coordinating Council (WECC) transmission system is developed using OPAL-RT/ HYPERSIM, and a modified IEEE 13 node feeder system is modeled in RTDS/RSCAD and interfaced for resiliency analysis.

42 ENGINEERING↗
DOE OSTI2019

HERON as a Tool for LWR Market Interaction in a Deregulated Market

This document reports the development of HERON (Holistic Energy Resource Optimization Network), a newly-developed RAVEN (Risk Analysis Virtual ENvironment) plugin for grid and capacity optimization, to technoeconomic analysis in a deregulated market. A short description of the HERON plugin is provided, and the release process is described. HERON as a plugin enables RAVEN to perform stochastic technoeconomic analysis of grid-energy systems in a generic approach. The primary function of HERON is to generate the complex RAVEN workflows necessary to optimize component capacities under stochastic systems. HERON is capable of analyzing systems with complex components transferring a variety of commodities, including production components and varied markets. HERON is capable of optimizing high-resolution dispatch for such systems and guiding stochastic optimization algorithms in RAVEN for finding optimal component capacities. In particular, this document demonstrates the application of HERON to systems with deregulated markets.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

“Shoulda, Coulda, Woulda”: Conceptualizing the Differences in Trust Between Human-Human Teaming and Human-Machine Teaming

Intelligent decision support systems (IDSSs) are machine teammates designed to facilitate better human decision-making in high-consequence domains such as health care, power grid operations, and fraud detection. IDSSs identify patterns in datasets and provide intelligent decision-making recommendations to human teammates. However, previous research indicates that humans often trust IDSS recommendations less than the recommendations from their human teammates, even when the machine teammate is more accurate. To conceptualize why trust differs, we review the literature surrounding trust, error, and predictability. Then, we compile and compare participant trust ratings and decision-making in an abridged systematic review of previous studies manipulating teammate type, error rate, and error type. Finally, we conduct a content analysis of participants’ qualitative responses to trust queries from a survey on generative language models. Results suggest that humans may trust IDSS teammates less than other human teammates because of differences in (1) interaction complexity, (2) blame attribution, and (3) swift trust. We conclude that human factors practitioners should collaborate with data scientists and domain experts to build and maintain trust in IDSSs by anthropomorphizing algorithms, matching mental models, and considering individual differences.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Machine Learning for Prediction of Thermodynamic Descriptors

Our objective is to apply machine learning (ML) algorithms for the prediction of molecular catalysis descriptors from geometric properties derived from experimental crystallographic databases. Catalysis is often considered a “low-data” discipline that is poorly suited for ML methods. An exception is the extensive structural information that is available for molecular catalysts through the Cambridge Structural Database (CSD), which contains atomically precise molecular structures from X-ray diffraction analysis for >600K metal complexes. As a proof-of-principle, we targeted the prediction of hydricity, a thermodynamic property that provides understanding and control of catalytic hydride transfer. We built a training set composed of ~100 molecular complexes with a known hydricity and structural information from the CSD. This data set was converted into a machine-readable format using the smooth overlap of atomic positions (SOAP) representation and further labeled with simple electronic descriptors for the metal centers. Multiple different neural networks were trained on this data set, and the accuracy of the hydricity predictions ranged from < 2 kcal/mol to 20 kcal/mol. The accuracy of each model was highly sensitive to which compounds were in the train versus test set, underscoring the challenges associated with small and chemically diverse data sets. Finally, to further augment the data set, we attempted to experimentally measure several new hydricity values, however these experiments were unsuccessful due to undesired chemical reactivity of the selected complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

EBSD seed LDRD project: Does Corona Virus – 2019 (COVID-19) and Seasonal Flu have similar meteorology and air quality controls driving their spread?

Seasonal influenza and Influenza like Illnesses (ILI) pose a serious public health risk and in turn affect the economy. Various factors affect ILI cases and mortality, including the pathogen and its interaction with the host, as well as environmental and socioeconomic factors such as meteorology, household structure, air pollution, urbanization, and population. Despite the growing number of studies on influenza and ILI, challenges remain in forecasting the timing of seasonal onset, outbreak patterns, and key factors affecting transmission. In particular, the impacts of meteorology and air quality on ILI have been challenging to understand, with linear regression studies focused on different geographic regions producing contradictory results. For example, influenza seasonality has been associated with cold-dry conditions in temperate mid-latitudes, but with humid-rainy conditions in tropical climates. These apparently contradictory results imply that the relationships between influenza cases and atmospheric variables may be too complex to be captured by linear regression models. In this seed project, we analyze meteorology and air quality variables from numerical models to determine which atmospheric variables are most helpful in predicting weekly changes in recorded flu cases. In contrast to most previous studies that relied on linear regression analysis to predict the timing of the flu onset or peak, we employ a robust machine learning algorithm to evaluate the contribution of atmospheric variables to weekly changes in recorded ILI cases. These results may also be relevant to the spread of other respiratory illnesses such as Corona Virus Disease – 2019 (COVID-19).

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

How analytic choices can affect the extraction of electromagnetic form factors from elastic electron scattering cross section data

Scientists often try to incorporate prior knowledge into their regression algorithms, such as a particular analytic behavior or a known value at a kinematic endpoint. Unfortunately, there is often no unique way to make use of this prior knowledge, and thus, different analytic choices can lead to very different regression results from the same set of data. In this paper, to illustrate this point in the context of the proton electromagnetic form factors, we use the Mainz elastic data with its 1422 cross section points and 31 normalization parameters. Starting with a complex unbound non-linear regression, we will show how the addition of a single theory-motivated constraint removes an oscillation from the magnetic form factor and shifts the extracted proton charge radius. We then repeat both regressions using the same algorithm, but with a rebinned version of the Mainz dataset. These examples illustrate how analytic choices, such as the function that is being used or even the binning of the data, can dramatically affect the results of a complex regression. These results also demonstrate why it is critical when using regression algorithms to have either a physical model in mind or a firm mathematical basis

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Learning to Predict Arbitrary Quantum Processes

We present an efficient machine-learning (ML) algorithm for predicting any unknown quantum process ℰ over 𝑛 qubits. For a wide range of distributions 𝒟 on arbitrary 𝑛-qubit states, we show that this ML algorithm can learn to predict any local property of the output from the unknown process ℰ, with a small average error over input states drawn from 𝒟. The ML algorithm is computationally efficient even when the unknown process is a quantum circuit with exponentially many gates. Our algorithm combines efficient procedures for learning properties of an unknown state and for learning a low-degree approximation to an unknown observable. The analysis hinges on proving new norm inequalities, including a quantum analogue of the classical Bohnenblust-Hille inequality, which we derive by giving an improved algorithm for optimizing local Hamiltonians. Numerical experiments on predicting quantum dynamics with evolution time up to 10 6 and system size up to 50 qubits corroborate our proof. Overall, our results highlight the potential for ML models to predict the output of complex quantum dynamics much faster than the time needed to run the process itself.

quantum computation↗
DOE OSTI2023

Domain Adaptation for Measurements of Strong Gravitational Lenses

Upcoming surveys are predicted to discover galaxy-scale strong lenses on the order of 10\textsuperscript{5}, making deep learning methods necessary in lensing data analysis. Currently, there is insufficient real lensing data to train deep learning algorithms, but the alternative of training only on simulated data results in poor performance on real data. Domain Adaptation may be able to bridge the gap between simulated and real datasets. We utilize domain adaptation for the estimation of Einstein radius ($\Theta_E$) in simulated galaxy-scale gravitational lensing images with different levels of observational realism. We evaluate two domain adaptation techniques - Domain Adversarial Neural Networks (DANN) and Maximum Mean Discrepancy (MMD). We train on a source domain of simulated lenses and apply it to a target domain of lenses simulated to emulate noise conditions in the Dark Energy Survey (DES). We show that both domain adaptation techniques can significantly improve the model performance on the more complex target domain dataset. This work is the first application of domain adaptation for a regression task in strong lensing imaging analysis. Our results show the potential of using domain adaptation to perform analysis of future survey data with a deep neural network trained on simulated data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Domain Adaptation for Measurements of Strong Gravitational Lenses

Upcoming surveys are predicted to discover galaxy-scale strong lenses on the order of $10^5$, making deep learning methods necessary in lensing data analysis. Currently, there is insufficient real lensing data to train deep learning algorithms, but the alternative of training only on simulated data results in poor performance on real data. Domain Adaptation may be able to bridge the gap between simulated and real datasets. We utilize domain adaptation for the estimation of Einstein radius ($\Theta_E$) in simulated galaxy-scale gravitational lensing images with different levels of observational realism. We evaluate two domain adaptation techniques - Domain Adversarial Neural Networks (DANN) and Maximum Mean Discrepancy (MMD). We train on a source domain of simulated lenses and apply it to a target domain of lenses simulated to emulate noise conditions in the Dark Energy Survey (DES). We show that both domain adaptation techniques can significantly improve the model performance on the more complex target domain dataset. This work is the first application of domain adaptation for a regression task in strong lensing imaging analysis. Our results show the potential of using domain adaptation to perform analysis of future survey data with a deep neural network trained on simulated data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

High fidelity simulations of contaminant dispersion in an urban environment with comparison to magnetic resonance imaging measurements

The dispersion of a contaminant in an urban environment has the potential to impact a large population of people. In this work, a complex urban canopy flow based on the Oklahoma City downtown business district circa 2003 is studied using Magnetic Resonance Imaging (MRI) and high-fidelity Large Eddy Simulations (LES). MRI is a novel experimental technique that can provide high-resolution measurements in four dimensions (three spatial and temporal) for lab scale models. The experiments and simulations use the same geometry and boundary conditions providing a one-to-one comparison of the two methods. Results are presented on the time-averaged velocity and concentration fields, the temporal dynamics of the concentration plumes for a transient release, and a novel Cloud Identification Algorithm that can separate plumes produced by periodic contaminant releases used for ensemble averaging over many releases. The MRI and LES datasets both include millions of measurement voxels and the comparisons highlight the complex 3D nature of the flow including strong vertical velocities in spanwise street canyons and flow acceleration in streamwise street canyons. The concentration fields are qualitatively similar albeit the LES shows larger dispersion. A quantitative analysis with performance measures compares the datasets pointwise and demonstrates that the two 3D datasets are similar with respect to many measures including a fractional bias of 0.02 (ideal=0.0), correlation coefficient of 0.87 (ideal = 1.0), and the fraction points within a factor of 2 is 0.98 (ideal = 1.0). Plume analysis compares the arrival and residence time of contaminant and is found to vary significantly with location within the urban environment with arrival times between 0 and 1.25 and differences within the contaminant cloud less than 10% at most locations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Towards elastic in situ analysis for high-performance computing simulations

In situ analysis and visualization have grown increasingly popular for enabling direct access to data from high-performance computing (HPC) simulations. As a simulation progresses and interesting physical phenomena emerge, however, the data produced may become increasingly complex, and users may need to dynamically change the type and scale of in situ analysis tasks being carried out and consequently adapt the amount of resources allocated to such tasks. To date, none of the production in situ analysis frameworks offer such an elasticity feature, and for good reason: the assumption that the number of processes could vary during run time would force developers to rethink software and algorithms at every level of the in situ analysis stack. In this paper we present Colza, a data staging service with elastic in situ visualization capabilities. We demonstrate the use of Colza with the Deep Water Impact and the AMR-Wind simulations, coupling them with the ParaView Catalyst and Ascent in situ libraries, and show that Colza enables dynamic rescaling of these widely-used frameworks with no interruption to the simulation or staging service. Here, we highlight the challenges of enabling such elasticity, which requires overcoming these frameworks' reliance on MPI, using distinct engineering approaches, namely dependency injection and dependency overload. To the best of our knowledge, this work is the first to enable elastic in situ visualization capabilities for HPC applications on top of existing production analysis tools.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Abstract - Cooperative Research and Development Agreement between Ames National Laboratory and National Energy Technology Laboratory AGMT-0609

The goal of this project is to develop a merged environment for simulation and analysis (MESA) at the National Energy Technology Laboratory’s (NETL) Hybrid Performance (Hyper) project laboratory. The MESA sensor lab developed as a component of this research will provide a development platform for investigating: 1) advanced control strategies, 2) testing and development of sensor hardware, 3) various modeling in-the-loop algorithms and 4) other advanced computational algorithms for improved plant performance using sensors, real-time models, and complex systems tools.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2018

Revealing micro-asperity rupture through finite source inversion

Laboratory studies of acoustic emission events with seismic signatures have used the point source assumption. Given the millimeter-scale size and clustering of the asperities and the centimeter-scale distances to the sensors, the records can convey information about the source complexity that is not fully revealed in a point source inversion. We develop a finite source inversion technique following Hartzell and Heaton, 1983 to compute the spatiotemporal distribution of slip during rupture of asperities and asperity clusters. First inversions of purely synthetic signals reveal some of the applicability and limitations of the algorithm. A preliminary inversion of one recorded event is included for demonstration. With much further sensitivity analysis and modeling improvements, the resulting slip profiles will provide a new tool for understanding the frictional strength and rupture behaviors of self-similar rough-rough interfaces at any scale.

Parker, JM↗
DOE OSTI2026

A Fast Algorithm for Computing Zigzag Representatives

Zigzag filtrations of simplicial complexes generalize the usual filtrations by allowing simplex deletions in addition to simplex insertions. The barcodes computed from zigzag filtrations encode the evolution of homological features. Although one can locate a particular feature at any index in the filtration using existing algorithms, the resulting representatives may not be compatible with the zigzag: a representative cycle at one index may not map into a representative cycle at its neighbor. For this, one needs to compute compatible representative cycles along each bar in the barcode. It is known that the barcode for a zigzag filtration with m insertions and deletions can be computed $O(m^ω)$ in time, where $ω < 2.373$ is the matrix multiplication exponent. However, it is not known how to compute the compatible representatives so efficiently. For a non-zigzag filtration, the classical matrix-based algorithm provides representatives in $O(m^3)$ time, which can be improved to $O(m^ω)$. However, no known algorithm for zigzag filtrations computes the representatives with the $O(m^3)$ time bound. We present an $O(m^3 n)$ time algorithm for this problem, where $n ≤ m$ is the size of the largest complex in the filtration.

Persistent homology↗
DOE OSTI2019

Graph-based modeling and simulation of complex systems

We present graph-based modeling abstractions to represent cyber-physical dependencies arising in complex systems. Specifically, we propose an algebraic graph abstraction to capture physical connectivity in complex optimization models and a computing graph abstraction to capture communication connectivity in computing architectures. The proposed abstractions are scalable and are used as the backbone of a Julia-based software package that we call Plasmo.j1. Here, we show how the algebraic graph abstraction facilitates the implementation, analysis, and decomposition of optimization problems and we show how the computing graph abstraction facilitates the implementation of optimization and control algorithms and their simulation in virtual environments that involve distributed, centralized, and hierarchical computing architectures.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Status Report on the INL IES Plug-and-Play Framework

This report discusses the advancements and status of the flexible plug-and-play framework development currently ongoing that aims to integrate Modelica/Dymola with the Risk Analysis and Virtual ENvironment (RAVEN) software in terms of both Functional Mock-Up Interface (FMI)/Functional Mock-Up Unit (FMU) construction and usage, which aims to ease the sharing and simulation of complex dynamic models. This report discusses the FMI/FMU development advancements, overall focusing on the deployment of methodologies for RAVEN to export and use FMI/FMU of both Python-based models and advanced AI-constructed algorithms.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗