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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Unleashing the Power of Knowledge Extraction from Scientific Literature in Catalysis

Valuable knowledge of catalysis is often hidden in a large amount of scientific literature. There is an urgent need to extract useful knowledge to facilitate scientific discovery. Here this work takes the first step toward the goal in the field of catalysis. Specifically, we construct the first information extraction benchmark data set that covers the field of catalysis and also develop a general extraction framework that can accurately extract catalysis-related entities from scientific literature with 90% extraction accuracy. We further demonstrate the feasibility of leveraging the extracted knowledge to help users better access relevant information in catalysis through an entity-aware search engine and a correlation analysis system.

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

Domain Adaptive Graph Neural Networks for Constraining Cosmological Parameters Across Multiple Data Sets

Deep learning models have been shown to outperform methods that rely on summary statistics, like the power spectrum, in extracting information from complex cosmological data sets. However, due to differences in the subgrid physics implementation and numerical approximations across different simulation suites, models trained on data from one cosmological simulation show a drop in performance when tested on another. Similarly, models trained on any of the simulations would also likely experience a drop in performance when applied to observational data. Training on data from two different suites of the CAMELS hydrodynamic cosmological simulations, we examine the generalization capabilities of Domain Adaptive Graph Neural Networks (DA-GNNs). By utilizing GNNs, we capitalize on their capacity to capture structured scale-free cosmological information from galaxy distributions. Moreover, by including unsupervised domain adaptation via Maximum Mean Discrepancy (MMD), we enable our models to extract domain-invariant features. We demonstrate that DA-GNN achieves higher accuracy and robustness on cross-dataset tasks. Using data visualizations, we show the effects of domain adaptation on proper latent space data alignment. This shows that DA-GNNs are a promising method for extracting domain-independent cosmological information, a vital step toward robust deep learning for real cosmic survey data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Domain Adaptive Graph Neural Networks for Constraining Cosmological Parameters Across Multiple Data Sets

Deep learning models have been shown to outperform methods that rely on summary statistics, like the power spectrum, in extracting information from complex cosmological data sets. However, due to differences in the subgrid physics implementation and numerical approximations across different simulation suites, models trained on data from one cosmological simulation show a drop in performance when tested on another. Similarly, models trained on any of the simulations would also likely experience a drop in performance when applied to observational data. Training on data from two different suites of the CAMELS hydrodynamic cosmological simulations, we examine the generalization capabilities of Domain Adaptive Graph Neural Networks (DA-GNNs). By utilizing GNNs, we capitalize on their capacity to capture structured scale-free cosmological information from galaxy distributions. Moreover, by including unsupervised domain adaptation via Maximum Mean Discrepancy (MMD), we enable our models to extract domain-invariant features. We demonstrate that DA-GNN achieves higher accuracy and robustness on cross-dataset tasks (up to $28\%$ better relative error and up to almost an order of magnitude better $\chi^2$). Using data visualizations, we show the effects of domain adaptation on proper latent space data alignment. This shows that DA-GNNs are a promising method for extracting domain-independent cosmological information, a vital step toward robust deep learning for real cosmic survey data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Quantum state reduction: Generalized bipartitions from algebras of observables

Reduced density matrices are a powerful tool in the analysis of entanglement structure, approximate or coarse-grained dynamics, decoherence, and the emergence of classicality. It is straightforward to produce a reduced density matrix with the partial-trace map by tracing out part of the quantum state, but in many natural situations this reduction may not be achievable. We investigate the general problem of identifying how the quantum state is reduced given a restriction on the observables. For example, in an experimental setting, the set of observables that can actually be measured is usually modest (compared to the set of all possible observables) and their resolution is limited. In such situations, the appropriate state-reduction map can be defined via a generalized bipartition, which is associated with the structure of irreducible representations of the algebra generated by the restricted set of observables. One of our main technical results is a general, not inherently numeric, algorithm for finding irreducible representations of matrix algebras. In our work, we demonstrate the viability of this approach with two examples of limited-resolution observables. The definition of quantum state reductions can also be extended beyond algebras of observables. To accomplish this task we introduce a more flexible notion of bipartition, the partial bipartition, which describes coarse grainings preserving information about a limited set (not necessarily algebra) of observables. We describe a variational method to choose the coarse grainings most compatible with a specified Hamiltonian, which exhibit emergent classicality in the reduced state space. We apply this construction to the concrete example of the one-dimensional Ising model. Our results have relevance for quantum information, bulk reconstruction in holography, and quantum gravity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Latent Mechanisms of Polarization Switching from In Situ Electron Microscopy Observations

In situ scanning transmission electron microscopy enables observation of the domain dynamics in ferroelectric materials as a function of externally applied bias and temperature. The resultant data sets contain a wealth of information on polarization switching and phase transition mechanisms. However, identification of these mechanisms from observational data sets has remained a problem due to a large variety of possible configurations, many of which are degenerate. Here, an approach based on a combination of deep learning-based semantic segmentation, rotationally invariant variational autoencoder (VAE), and non-negative matrix factorization to enable learning of a latent space representation of the data with multiple real-space rotationally equivalent variants mapped to the same latent space descriptors is introduced. By varying the size of training sub-images in the VAE, the degree of complexity in the structural descriptors is tuned from simple domain wall detection to the identification of switching pathways. Importantly, this yields a powerful tool for the exploration of the dynamic data in mesoscopic electron, scanning probe, optical, and chemical imaging. Moreover, this work adds to the growing body of knowledge of incorporating physical constraints into the machine and deep-learning methods to improve learned descriptors of physical phenomena.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Regulatory Considerations for Domestic Reprocessing Facility Physical Security

U.S. advanced non-light-water reactor vendors may pursue collocated on-site reprocessing activities. Therefore, these facilities are likely to possess formula quantities, or Category I quantities, of special nuclear material (SNM) during normal operations. The U.S. Nuclear Regulatory Commission (U.S. NRC) has yet to formally establish a regulatory framework for commercial reprocessing. While Category I requirements would explicitly not apply in this circumstance under current regulatory requirements, regulatory certainty does not exist. A novel framework should be developed to ensure public health and safety while also risk-informing the physical security requirements. This report reviews the relevant background of related rulemaking activities and proposes risk-informed physical protection requirements to satisfy these objectives. Insights from NRC security-related rulemaking activities provide a substantial technical basis to approach potential establishment of physical security requirements for reprocessing facilities. If a licensee can provide justification that the material satisfies a sufficient self-protecting radiation dose threshold, the material may not be subject to theft or diversion requirements and only potential sabotage requirements would apply. Furthermore, if the material can be justified to be moderately dilute, a set of risk-informed requirements could provide adequate protection of public health and safety. A revised performance objective for prevention of theft of moderately dilute Category I SNM may be detection to allow prompt recovery by a local law enforcement agency. However, a significant caveat to the proposed categorization scheme is the unknown integration of radiological sabotage with requirements for the protection against theft. Future licensees should consult with the NRC regarding treatment of this regulatory topic. Additionally, the self-protecting radiation dose threshold (either the existing or a proposed future threshold) would need to be considered. An integrated approach may apply graded potential requirements for protection against the design basis threat of radiological sabotage currently applicable to commercial nuclear power plants and Category I SNM facilities defined within 10 CFR 73.1(a).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Intersections of Disadvantaged Communities and Renewable Energy Potential: Analyses to Inform Equitable Investment Prioritization

Renewable energy development can bolster local economies through job creation, local tax revenues, and reduced energy costs; however, communities most in need of economic development and employment opportunities often see lower levels of renewable energy deployment. We sought to identify areas where indicators of disadvantaged communities intersect with high generation potential from cost- effective renewable energy opportunities. This presentation highlights the geospatial intersection of the technical potential and levelized cost of energy for three renewable technologies (residential solar, utility solar, and land-based wind) and three sociodemographic metrics (energy burden, unemployment, and employment in mining, quarrying, and oil and gas extraction). This research and the associated county-level data set are intended to inform national- and state-level energy-related assistance programs, economic development efforts, and infrastructure programs seeking to prioritize investments in disadvantaged communities.

disadvantaged communities↗
DOE OSTI2022

The Climatic Impact‐Driver Framework for Assessment of Risk‐Relevant Climate Information

Abstract The climate science and applications communities need a broad and demand‐driven concept to assess physical climate conditions that are relevant for impacts on human and natural systems. Here, we augment the description of the “climatic impact‐driver” (CID) approach adopted in the Working Group I (WGI) contribution to the Intergovernmental Panel on Climate Change (IPCC) Sixth Assessment Report. CIDs are broadly defined as “physical climate system conditions (e.g., means, events, and extremes) that affect an element of society or ecosystems. Depending on system tolerance, CIDs and their changes can be detrimental, beneficial, neutral, or a mixture of each across interacting system elements and regions.” We give background information on the IPCC Report process that led to the development of the 7 CID types (heat and cold, wet and dry, wind, snow and ice, coastal, open ocean, and other) and 33 distinct CID categories, each of which may be evaluated using a variety of CID indices. This inventory of CIDs was co‐developed with WGII to provide a useful collaboration point between physical climate scientists and impacts/risk experts to assess the specific climatic phenomena driving sectoral responses and identify relevant CID indices within each sector. The CID Framework ensures that a comprehensive set of climatic conditions informs adaptation planning and risk management and may also help prioritize improvements in modeling sectoral dynamics that depend on climatic conditions. CIDs contribute to climate services by increasing coherence and neutrality when identifying and communicating relevant findings from physical climate research to risk assessment and planning activities.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Observing fish interactions with marine energy turbines using acoustic cameras

Abstract Marine current energy converters such as tidal and riverine turbines have the potential to provide reliable, clean power. The risk of collision of fishes with marine energy turbines is not yet well understood, in part due to the challenges associated with observing fish at turbine sites. Turbidity and light availability can limit the effectiveness of optical sensors like video cameras, motivating the use of acoustic cameras for this task. However, challenges persist in collecting and interpreting data acquired from acoustic cameras. Given the limited number of turbine deployments to date, it is prudent to draw on the application of acoustic cameras to monitor fish in other scenarios. This article synthesizes their use for other fisheries applications to inform best practices and set realistic expectations for the results of acoustic camera monitoring at turbine sites. We discuss six key tasks performed with acoustic cameras: detecting objects, identifying objects as fish, counting fish, measuring fish, classifying fish taxonomically and analysing fish behavior. Specific challenges to monitoring fish at turbine sites are discussed. This article is intended to serve as a reference for researchers, regulators and marine energy developers on effective use of acoustic cameras to monitor fish at turbine sites. The studies detailed in this article provide evidence that, in some scenarios, acoustic cameras can be used to inform the risk of fish collision with marine energy turbines but doing so requires careful study design and data processing.

Cotter, Emma↗
DOE OSTI2022

Multi-Variable Parametric Analysis of Prototype Building Energy Performance Using Current and Future Weather Scenarios For Data-Driven Market Transformation Support

This project aimed to develop a public building simulation data set that may be used to inform building code development and guidelines for building innovation. The data set consists of several common building types and many representative locations across the United States. A parametric design of building properties was developed to create a range of building energy models that represent common building design decisions with a particular focus on fenestration options. The US Department of Energy prototype building energy models were altered according to a parametric building design and simulated using both current weather data and future weather estimates derived from global climate models. The resulting data set allows for pertinent exploration of building design parameters, including fenestration, within different environments across the United States in the broader context of climate change.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

WiP Abstract: Edge-Based Privacy of Naturalistic Driving Data Collection

Collecting large driving datasets is important for data-driven transportation research and studied in naturalistic driving [3]. Due to the standard implementation of a Controller Area Network (CAN) bus for a vehicle’s inter-module communication, many off-the-shelf devices can easily transform a vehicle into a rich data collection utility [2]. Vehicles with Adaptive Cruise Control (ACC) are an example of a feature resulting in emergent traffic behavior when scaled [4]. While these utilities were designed with particular data use cases, data may be publicly shared to benefit other researchers through online tools like CyVerse [1]. However, such data should only be shared when any private information is removed. This private information may exist as a set of GPS coordinates, since the start and end points of a trip may designate a driver’s place of residence or work. When considering larger continuously-collected data sets with a focus on naturalistic driving, many drivers are needed to make data collection feasible. Removal of private information becomes much more of a challenge since every driver may uniquely define their geographic privacy. This project aims to build upon the foundation of libpanda [2] by adding features of edge-based data privacy enforcement. In it’s current form, libpanda uses a GPS in conjunction with a CAN interface to record data. Libpanda feature s a set of startup and shutdown scripts to perform automatic data collection and upload. With additional support hardware on a Raspberry Pi, the Pi can maintain power on vehicle shutdown to automatically upload data before shutdown.

Bunting, Matt↗
DOE OSTI2025

Noisy quantum trees: infinite protection without correction

We study quantum networks with tree structures, in which information propagates from a root to leaves. At each node in the network, the received qubit unitarily interacts with fresh ancilla qubits, after which each qubit is sent through a noisy channel to a different node in the next level. Therefore, as the tree depth grows, there is a competition between the irreversible effect of noise and the protection against such noise achieved by the delocalization of information. In the classical setting, where each node simply copies the input bit into multiple output bits, this model has been studied as the broadcasting or reconstruction problem on trees, which has broad applications. In this work, we study the quantum version of this problem. We consider a Clifford encoder at each node that encodes the input qubit in a stabilizer code, along with a single qubit Pauli noise channel at each edge. Such noisy quantum trees describe a scenario in which one has access to a stream of fresh (low-entropy) ancilla qubits, but cannot perform error correction. Therefore, they provide a different perspective on quantum fault tolerance. Furthermore, they provide a useful model for describing the effect of noise within the encoders of concatenated codes. We prove that above certain noise thresholds, which depend on the properties of the code such as its distance, as well as the properties of the encoder, information decays exponentially with the depth of the tree. On the other hand, by studying certain efficient decoders, we prove that for codes with distance d ≥ 2 and for sufficiently small (but non-zero) noise, classical information and entanglement propagate over a noisy tree with infinite depth. Indeed, we find that this remains true even for binary trees with certain 2-qubit encoders at each node, which encodes the received qubit in the binary repetition code with distance d = 1.

Quantum information↗
DOE OSTI2022

Physics-informed machine learning modeling for predictive control using noisy data

Due to the occurrence of over-fitting at the learning phase, the modeling of chemical processes via artificial neural networks (ANN) by using corrupted data (i.e., noisy data) is an ongoing challenge. Therefore, this work investigates the effect of both Gaussian and non-Gaussian noise on the performance of process-structure based recurrent neural networks (RNN) models, which take the form of partially-connected RNN models in this work, that are used to approximate a class of multi-input-multi-outputs nonlinear systems. Furthermore, two different techniques, specifically Monte Carlo dropout and co-teaching, are utilized in the development of partially-connected RNN models. Here, these two techniques are employed to reduce the over-fitting in ANNs when noisy data is used in the training process and, hence, to improve the open-loop accuracy as well as the closed-loop performance under a Lyapunov-based model predictive controller (MPC). Aspen Plus Dynamics, a well-known high-fidelity process simulator, is used to simulate a large-scale chemical process application in order to demonstrate the anticipated improvements in both open-loop approximation and closed-loop controller performance in the presence of Gaussian and non-Gaussian noise in the data set using physics-informed RNNs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Evaluating Synthetic Smart Meter Locations For Communication System Modeling

An important part of good communication models for smart grid applications, particularly when wireless protocols are used, is the location information of the nodes. We’ve developed metrics to assist in evaluating whether a given model with such information is representative of feeders found in the world. These metrics are applied to a set of feeder models with known good location information for the smart meter locations and compared to a set of feeder models with similar location information that is not expected to be representative of real-world feeders. The comparison reveals that the suspect models do not pass statistical tests utilizing the developed metrics, providing initial validation of the analysis technique.

smart meter, feeder model, GridLAB-D↗
DOE OSTI2022

Development of Cr, Se, U, Sb, and Te isotopes as indicators of redox reactions, contaminant fate, and contaminant transport in aqueous systems: A review

Cr, Se, U, Sb, and Te are toxic, redox-active elements that are more mobile and environmentally problematic in their oxidized forms, and less mobile and bioavailable in their reduced forms. This chapter reviews the development of Cr, Se, U, Sb, and Te isotope ratio measurements as new indicators of redox reactions and contaminant migration. Reliable analytical methods exist, but are still evolving. Understanding of isotopic fractionation induced by various (bio)geochemical processes has been explored in dozens of publications, yet is far from complete: Reduction reactions, the major driver of isotopic variation, have been relatively well studied. However, the magnitude of fractionation is variable and the systematics of that variation are still being explored. Isotopic fractionation induced by oxidation reactions is not well understood. Non-redox reactions, which involve smaller changes in bonding of these elements, tend to induce less isotopic fractionation, but can nonetheless cause significant isotopic shifts. Field applications of Cr, Se, U isotope ratios have demonstrated that they are useful as indicators of reduction in natural systems. A few studies suggest they are also useful as indicators of oxidation and contaminant sources. The physical and chemical complexity of groundwater systems hinders accurate quantitative interpretation of Cr, Se, U isotope data using simple models. Numerical models have been developed that capture the behavior of complex, coupled systems and enable the most effective extraction of information from field data sets.

58 GEOSCIENCES↗
DOE OSTI2023

Sequential Image Recovery Using Joint Hierarchical Bayesian Learning

Abstract Recovering temporal image sequences (videos) based on indirect, noisy, or incomplete data is an essential yet challenging task. We specifically consider the case where each data set is missing vital information, which prevents the accurate recovery of the individual images. Although some recent (variational) methods have demonstrated high-resolution image recovery based on jointly recovering sequential images, there remain robustness issues due to parameter tuning and restrictions on the type of sequential images. Here, we present a method based on hierarchical Bayesian learning for the joint recovery of sequential images that incorporates prior intra- and inter-image information. Our method restores the missing information in each image by “borrowing” it from the other images. More precisely, we couple sequential images by penalizing their pixel-wise difference. The corresponding penalty terms (one for each pixel and pair of subsequent images) are treated as weakly-informative random variables that favor small pixel-wise differences but allow occasional outliers. As a result, all of the individual reconstructions yield improved accuracy. Our method can be used for various data acquisitions and allows for uncertainty quantification. Some preliminary results indicate its potential use for sequential deblurring and magnetic resonance imaging.

Xiao, Yao↗
DOE OSTI2023

Bayesian sequential optimal experimental design for nonlinear models using policy gradient reinforcement learning

We present a mathematical framework and computational methods for optimally designing a finite sequence of experiments. This sequential optimal experimental design (sOED) problem is formulated as a finite-horizon partially observable Markov decision process (POMDP) under a Bayesian setting and with information-theoretic utilities. The formulation is general and may accommodate continuous random variables, non-Gaussian posteriors, and nonlinear forward models. The sOED design policy incorporates elements of feedback and lookahead simultaneously, and we show it to generalize the commonly-used batch and greedy design strategies. We solve for the sOED policy using the policy gradient (PG) method from reinforcement learning, and provide a derivation for the PG expression in the sOED context. Adopting an actor-critic approach, the policy and value functions are parameterized using deep neural networks and improved via PG estimates produced from simulated episodes of designs and observations. The new PG-sOED algorithm is first validated on a linear-Gaussian benchmark, and then compared against other design baselines on a sensor movement problem for contaminant source inversion in a convection-diffusion field. As a result, we provide explanation for the policy behaviors using knowledge of the underlying physical process.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Enabling site-specific well leakage risk estimation during geologic carbon sequestration using a modular deep-learning-based wellbore leakage model

Geologic carbon sequestration (GCS) is a promising technology for mitigating net carbon emissions and growing climate concern by storing CO 2 in reservoirs. Oil and gas brownfields are an attractive option for CO 2 storage, but these sites have many historical wellbores from petroleum production and can be a potential leakage pathway for CO 2 or formation brine. Therefore, risk management of GCS operations requires an assessment of potential well leakage. Due to the high uncertainty of the system, stochastic approaches are ideal for quantifying the range of risk behaviors, but they must be computationally efficient in the face of complex physics. Here, we develop a new physics-centric deep learning wellbore model to predict the leakage of CO 2 and brine through leaky wellbores. Multi-physics numerical simulations were used to generate data sets, and physics-informed features were introduced. Neural networks were optimized with an automated searching algorithm. Feature analysis quantifies the impact of each feature on model prediction and confirms the role of physics-inspired parameters. The model shows high predictive performance across a wide range of geologic and injection conditions and well attributes. In conclusion, a case study illustrates how the model is applied to assess well leakage in GCS operations.

58 GEOSCIENCES↗