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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 775 records · Page 43

A Distributionally Robust Resilience Enhancement Strategy for Distribution Networks Considering Decision-Dependent Contingencies

When performing the resilience enhancement for distribution networks, there are two obstacles to reliably model the uncertain contingencies: 1) decision-dependent uncertainty (DDU) due to various line hardening decisions, and 2) distributional ambiguity due to limited outage information during extreme weather events (EWEs). Here, to address these two challenges, this paper develops scenario-wise decision-dependent ambiguity sets (SWDD-ASs), where the DDU and distributional ambiguity inherent in EWE-induced contingencies are simultaneously captured for each possible EWE scenario. Then, a two-stage tri-level decision-dependent distributionally robust resilient enhancement (DD-DRRE) model is formulated, whose outputs include the optimal line hardening, distributed generation (DG) allocation, and proactive network reconfiguration strategy under the worst-case distributions in SWDD-ASs. Subsequently, the DD-DRRE model is equivalently recast to a mixed-integer linear programming (MILP)-based master problem and multiple scenario-wise subproblems, facilitating the adoption of a customized column-and-constraint generation (C&CG) algorithm. Finally, case studies demonstrate a remarkable improvement in the out-of-sample performance of our model, compared to its prevailing stochastic and robust counterparts. Moreover, the potential values of incorporating the ambiguity and distributional information are quantitatively estimated, providing a useful reference for planners with different budgets and risk-aversion levels.

decision-dependent uncertainty↗

Physics Discovery in Nanoplasmonic Systems via Autonomous Experiments in Scanning Transmission Electron Microscopy

Abstract Physics‐driven discovery in an autonomous experiment has emerged as a dream application of machine learning in physical sciences. Here, this work develops and experimentally implements a deep kernel learning (DKL) workflow combining the correlative prediction of the target functional response and its uncertainty from the structure, and physics‐based selection of acquisition function, which autonomously guides the navigation of the image space. Compared to classical Bayesian optimization (BO) methods, this approach allows to capture the complex spatial features present in the images of realistic materials, and dynamically learn structure–property relationships. In combination with the flexible scalarizer function that allows to ascribe the degree of physical interest to predicted spectra, this enables physical discovery in automated experiment. Here, this approach is illustrated for nanoplasmonic studies of nanoparticles and experimentally implemented in a truly autonomous fashion for bulk‐ and edge plasmon discovery in MnPS 3 , a lesser‐known beam‐sensitive layered 2D material. This approach is universal, can be directly used as‐is with any specimen, and is expected to be applicable to any probe‐based microscopic techniques including other STEM modalities, scanning probe microscopies, chemical, and optical imaging.

42 ENGINEERING↗

Deep reinforcement learning control of hydraulic fracturing

Hydraulic fracturing is a technique to extract oil and gas from shale formations, and obtaining a uniform proppant concentration along the fracture is key to its productivity. Recently, various model predictive control schemes have been proposed to achieve this objective. But such controllers require an accurate and computationally efficient model which is difficult to obtain given the complexity of the process and uncertainties in the rock formation properties. In this article, we design a model-free data-based reinforcement learning controller which learns an optimal control policy through interactions with the process. Deep reinforcement learning (DRL) controller is based on the Deep Deterministic Policy Gradient algorithm that combines Deep-Q-network with actor-critic framework. In addition, we utilize dimensionality reduction and transfer learning to quicken the learning process. We show that the controller learns an optimal policy to obtain uniform proppant concentration despite the complex nature of the process while satisfying various input constraints.

42 ENGINEERING↗

Heisenberg uncertainty of spatially gated electromagnetic fields

A Heisenberg uncertainty relation is derived for spatially-gated electric ΔE and magnetic ΔH field fluctuations. The uncertainty increases for small gating sizes, which implies that in confined spaces, the quantum nature of the electromagnetic field must be taken into account. Optimizing the state of light to minimize ΔE at the expense of ΔH and vice versa should be possible. Spatial confinements and quantum fields may alternatively be realized without gating by interaction of the field with a nanostructure. Possible applications include nonlinear spectroscopy of nanostructures and optical cavities and chiral signals.

Chernyak, Vladimir Y.↗

A High-Quality Workflow for Multi-Resolution Scientific Data Reduction and Visualization

Multi-resolution methods such as Adaptive Mesh Refinement (AMR) can enhance storage efficiency for HPC applications generating vast volumes of data. However, their applicability is limited and cannot be universally deployed across all applications. Furthermore, integrating lossy compression with multi-resolution techniques to further boost storage efficiency encounters significant barriers. To this end, we introduce an innovative workflow that facilitates high-quality multi-resolution data compression for both uniform and AMR simulations. Initially, to extend the usability of multi-resolution techniques, our workflow employs a compression-oriented Region of Interest (ROI) extraction method, transforming uniform data into a multi-resolution format. Subsequently, to bridge the gap between multi-resolution techniques and lossy compressors, we optimize three distinct compressors, ensuring their optimal performance on multi-resolution data. These optimizations can improve the compression ratio of SOTA approaches by up to 3.3× under the same data quality loss. Lastly, we incorporate an advanced uncertainty visualization method into our workflow to understand the potential impacts of lossy compression. Experimental evaluation demonstrates that our workflow achieves significant compression quality improvements.

Wang, Daoce↗

Building Load Control Using Distributionally Robust Chance-Constrained Programs with Right-Hand Side Uncertainty and the Risk-Adjustable Variants

Aggregation of heating, ventilation, and air conditioning (HVAC) loads can provide reserves to absorb volatile renewable energy, especially solar photo-voltaic (PV) generation. In this paper, we decide HVAC control schedules under uncertain PV generation, using a distributionally robust chance-constrained (DRCC) building load control model under two typical ambiguity sets: the moment-based and Wasserstein ambiguity sets. We derive mixed integer linear programming (MILP) reformulations for DRCC problems under both sets. Especially, for the Wasserstein ambiguity set, we use the right-hand side (RHS) uncertainty to derive a more compact MILP reformulation than the commonly known MILP reformulations with big-M constants. All the results also apply to general individual chance constraints with RHS uncertainty. Furthermore, we propose an adjustable chance-constrained variant to achieve tradeoff between the operational risk and costs. We derive MILP reformulations under the Wasserstein ambiguity set and second-order conic programming (SOCP) reformulations under the moment-based set. Using real-world data, we conduct computational studies to demonstrate the efficiency of the solution approaches and the effectiveness of the solutions. Summary of Contribution: The problem studied in this paper is motivated by a building load control problem that uses the aggregation of heating, ventilation, and air conditioning (HVAC) loads as flexible reserves to absorb uncertain solar photovoltaic (PV) generation. The problem is formulated as distributionally robust chance-constrained (DRCC) programs with right-hand side (RHS) uncertainty. In addition, we propose a risk-adjustable variant of the DRCC programs, where the risk level, instead of being predetermined, is treated as a decision variable. The paper aims to provide tractable reformulations and solution algorithms for both the (general) DRCC and the (general) adjustable DRCC models with RHS uncertainty.

97 MATHEMATICS AND COMPUTING↗

A perspective on Bayesian methods applied to materials discovery and design

For more than two decades, there has been increasing interest in developing frameworks for the accelerated discovery and design of novel materials that could enable promising and transformative technologies. The Integrated Computational Materials Engineering (ICME) program called for integrating computational tools to establish linkages along process-structure-property-performance (PSPP) chains. The Materials Genome Initiative called for integrating experiments and computations within data science frameworks as a strategy to accelerate the materials development cycle. While these frameworks and paradigms have been quite influential, traditional ICME or data science-based approaches tend to have some limitations, mainly when querying the materials space is costly and very little information is available. Bayesian methods are more suitable in this context due to their efficiency gains. To this end, the materials discovery problem is framed as a Bayesian Optimization (BO). Different examples in which BO has been applied to solve materials discovery problems are presented. The methods/examples discussed include BO under model uncertainty, multi-information source BO, multi-objective and multi-constraint BO, and batch BO. Bayesian Materials Discovery is a promising area of research that is likely to become more influential as more attention is put on autonomous materials discovery platforms. Therefore, a discussion is provided on the potential development of such methods to increase the ability of existing platforms in materials discovery. Here, the ultimate goal is to pave the way to autonomous materials discovery.

36 MATERIALS SCIENCE↗

Robust Resilient Signal Reconstruction under Adversarial Attacks

We consider the problem of signal reconstruction for a system under sparse signal corruption by a malicious agent. The reconstruction problem follows the standard error coding problem that has been studied extensively in the literature. We include a new challenge of robust estimation of the attack support. The problem is then cast as a constrained optimization problem merging promising techniques in the area of deep learning and estimation theory. A pruning algorithm is developed to reduce the "false positive" uncertainty of data-driven attack localization results, thereby improving the probability of correct signal reconstruction. Sufficient conditions for the correct reconstruction and the associated reconstruction error bounds are obtained for both exact and inexact attack support estimation. Moreover, a simulation of a water distribution system is presented to validate the proposed techniques.

Robust, Signal reconstruction, Resilient estimator↗

UAS remote sensing (3DR SOLO platform): multispectral reflectance and normalized difference vegetation index, Seward Peninsula, Alaska, 2022

Airborne remote sensing data collected using a Parrot Sequoia+ multispectral sensor installed on a 3DR SOLO unoccupied aerial system (UAS) – operated by the Terrestrial Ecosystem Science & Technology group https://www.bnl.gov/envsci/testgroup/ at Brookhaven National Laboratory. This package includes data from 19 flights flown over the NGEE-Arctic, Kougarok Mile Marker (MM) 80, Kougarok Fire Complex (KFC) and Teller MM 27 sites in July 2022. Derived image products include point cloud, ortho-mosaiced multispectral image, a digital surface model (DSM) using the structure from motion (SfM) technique, and a normalized difference vegetation index (NDVI) map. Unprocessed and processed data products are included in this package (processing levels 0-2). Data and metadata are provided as text (*.txt, *.json, *hdr,), tabular (*.dat, *.csv), point cloud (*.laz), Cloud Optimized GeoTIFF (COG, *.tif), and image (*.jpg, *.tif, *png) formats.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

A convergence metric for counting statistics in time-resolved small angle neutron scattering

Here, this work introduces a model-independent, dimensionless metric for predicting optimal measurement duration in time-resolved small-angle neutron scattering using early-time data. Built on a Gaussian process regression framework, the method reconstructs scattering profiles with quantified uncertainty, even from sparse or noisy measurements. Demonstrated on the EQ-SANS instrument at the Spallation Neutron Source, the approach generalizes to general SANS instruments with a two-dimensional detector. A key result is the discovery of a dimensionless convergence metric revealing a universal power-law scaling in profile evolution across soft matter systems. When time is normalized by a system-specific characteristic time t*, the variation in inferred profiles collapses onto a single curve with an exponent between −2 and −1. This trend emerges within the first ten time steps, enabling early prediction of measurement sufficiency. The method supports real-time experimental optimization and is especially valuable for maximizing efficiency in low-flux environments such as compact accelerator-based neutron sources.

Tung, Chi-Huan [Oak Ridge National Laboratory (ORN↗

Long-Term Vehicle Speed Prediction via Historical Traffic Data Analysis for Improved Energy Efficiency of Connected Electric Vehicles

Connected and automated vehicles (CAVs) are expected to provide enhanced safety, mobility, and energy efficiency. While abundant evidence has been accumulated showing substantial energy saving potentials of CAVs through eco-driving, traffic condition prediction has remained to be the main challenge in capitalizing the gains. The coupled power and thermal subsystems of CAVs necessitate the use of different speed preview windows for effective and integrated power and thermal management. Real-time vehicle-to-infrastructure (V2I) communications can provide an accurate speed prediction over a short prediction horizon (e.g., 30 s to 60 s), but not for a long range (e.g., over 180 s). Therefore, advanced approaches are required to develop detailed speed prediction for robust optimization-based energy management of CAVs. This paper presents an integrated speed prediction framework based on historical traffic data classification and real-time V2I communications for efficient energy management of electrified CAVs. The proposed framework provides multi-range speed predictions with different fidelity over short and long horizons. The proposed multi-range speed prediction is integrated with an economic model predictive control (MPC) strategy for the battery thermal management (BTM) of connected and automated electric vehicles (EVs). The simulation results over real-world urban driving cycles confirm the enhanced prediction performance of the proposed data classification strategy over a long prediction horizon. Despite the uncertainty in long-range CAVs’ speed predictions, the vehicle-level simulation results show that 14% and 19% energy savings can be accumulated sequentially through eco-driving and BTM optimization (eco-cooling), respectively, when compared with normal driving (i.e., human driver) and conventional BTM strategy.

Engineering↗

Development of Explainable, Knowledge-Guided AI Models to Enhance the E3SM Land Model Development and Uncertainty Quantification

Focal Area(s): (2)Predictive modeling using AI techniques and AI-derived model components; use of AI and other tools to design a prediction system comprising of a hierarchy of models. (3) Insight gleaned from complex data (both observed and simulated) using AI, big data analytics, and other advanced methods, including explainable AI and physics- or knowledge- guided AI. Science Challenge: The Energy Exascale Earth System Model (E3SM) is a fully coupled, state-of-the-science Earth system model that uses code optimized for DOE's advanced computers to address the most critical scientific questions facing our nation and society (Golaz et al., 2019). The E3SM Land model (ELM) is designed to understand how the changes in terrestrial land surfaces will interact with other Earth system components and has been used to understand hydrologic cycles, biogeophysics, and ecosystem dynamics. In spite of great successes, the ELM has several known issues that restrain rapid improvements. For example, the ELM uses equilibrium models to simulate dynamic land-climate interactions and it requires long model spin-up time to identify suitable initial conditions for transient simulations. The ELM lacks built-in uncertainty mechanisms that can improve the robustness of model predictions. The ELM is a holistic, deterministic model system with a rigid design, and in many situations, it is hard to modify the ELM system to incorporate new theory/hypothesis and new data across scales to address emerging science problems (such as predicting the impacts of water cycle extremes). In addition, The ELM is technically optimized for traditional CPU-centric computers and it cannot fully utilize the current and incoming leadership computers for model simulations and uncertainty quantification (UQ). The success of artificial intelligence (AI) has inspired scientists to use AI models to discover intrinsic features from simulation data (Chattopadhyay et al., 2020) and observational data (Reichstein et al., 2019) to gain further process understanding of Earth science problems. However, autonomous AI model training through deep learning usually requires a huge amount of annotated data. To overcome the limitations from the data and computing resources, knowledge-guided AI models are necessary where human-knowledge is ingested in model construction (Banino et al., 2018) and training process (Silver et al., 2016) for efficient learning. Herein, we present a new way that leverages the process understanding from the ELM to guide AI model development for the ELM enhancement and UQ. We hope this study can inspire further Earth and environmental system model developments and transformations.

54 ENVIRONMENTAL SCIENCES↗

Quantifying Uncertainty of Deep Reinforcement Learning Based Decision Making for Operations and Maintenance of Nuclear Power Plant

This paper summarizes research that integrates condition monitoring and prognostics with decision making for nuclear power plant operations and maintenance. As part of this research, we have developed an online asset management tool to help reduce life-cycle maintenance and repair costs. Using the latest advancements in condition monitoring, supply chain analytics, and deep reinforcement learning, we have created a predictive maintenance tool that can optimize the maintenance and spare-part management of a repairable nuclear system. To demonstrate these methods, preliminary studies were conducted on a simple, representative maintenance system undergoing a stochastic degradation process that requires repairs or replacement to continue operation. Through Monte Carlo simulations, we were able to reduce maintenance spending by approximately 50% compared to optimized, time-based maintenance strategies. Not only does the decision maker reduce the average life-cycle costs, it also minimizes the chance of high cost scenarios, lowering the variance of the expected cost distributions, and reducing overall financial risk. Furthermore, this work also studies the ability of the decision maker to handle various levels of noise from observation uncertainty. By introducing uncertainty into the decision-making process, we have quantified the robustness and resiliency of the decision maker, as well as identified necessary levels of observability to demonstrate cost effectiveness.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

An economic assessment of behind-the-meter photovoltaics paired with batteries on the Hawaiian Islands.

Due to natural variability and uncertainty, the ever-increasing penetration of solar generation in Hawaii presents challenges to power grid operators to maintain reliable system operation. Demand response (DR) has the potential to be a cost-effective tool for Hawaii to reach its aggressive renewable energy goals while maintaining the reliability of power grids. The Hawaii Public Utilities Commission has approved the Hawaiian Electric Company's revised portfolio of DR programs. The companies have released a grid services purchase agreement and subscribed an initial tranche of load into their DR programs. This paper presents innovative analytical methods and comprehensive economic assessment for distributed photovoltaics (PV) paired with battery energy storage systems (BESSs) for two new DR programs, including fast frequency response and capacity grid service. Optimal dispatch and sizing methods are proposed for the paired system considering different tariff schedules and PV compensation programs across five islands. It was found that while the best resource configuration and potential economic benefits vary with tariff structure, a BESS paired with PV can be optimally dispatched to generate multiple value streams simultaneously. Compensation from DR programs is an important value stream to help increase the cost-effectiveness of the integrated system.

Battery energy storage system↗

Weighted greedy-optimal design of computer experiments for kernel-based and Gaussian process model emulation and calibration

This article is concerned with the approximation of high-dimensional functions by kernel-based methods. Motivated by uncertainty quantification, which often necessitates the construction of approximations that are accurate with respect to a probability density function of random variables, we aim at minimizing the approximation error with respect to a weighted $L^p$-norm. We present a greedy procedure for designing computer experiments based upon a weighted modification of the pivoted Cholesky factorization. The method successively generates nested samples with the goal of minimizing error in regions of high probability. Numerical experiments validate that this new importance sampling strategy is superior to other sampling approaches, especially when used with non-product probability density functions. We also show how to use the proposed algorithm to efficiently generate surrogates for inferring unknown model parameters from data.

97 MATHEMATICS AND COMPUTING↗

Incorporate day-ahead robustness and real-time incentives for electricity market design

In this paper, we propose a two-stage electricity market framework to explore the participation of distributed energy resources (DERs) in a day-ahead (DA) market and a real-time (RT) market. The objective is to determine the optimal bidding strategies of the aggregated DERs in the DA market and generate online incentive signals for DER-owners to optimize the social-welfare taking into account network operational constraints. Distributionally robust optimization is used to explicitly incorporate data-based statistical information of renewable forecasts into the supply/demand decisions in the DA market. We evaluate the conservativeness of bidding strategies distinguished by different risk aversion settings. In the RT market, a bi-level time-varying optimization problem is proposed to design the online incentive signals to tradeoff the RT imbalance penalty for distribution system operators (DSOs) and the costs of individual DER-owners. This enables tracking their optimal dispatch to provide fast balancing services, in the presence of time-varying network states while satisfying the voltage regulation requirement. Simulation results on both DA wholesale market and RT balancing market demonstrate the necessity of this two-stage design, and its robustness to uncertainties, the performance of convergence, the tracking ability and the feasibility of the resulting network operations.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Gaussian Process Optimization of Sensitivity-Based Similarity Metrics between New Nuclear Applications and New/Existing Benchmarks

Confidently designing safe, new nuclear criticality experiments requires expert judgement, which could take years of experience. Sensitivity/uncertainty (S/U) analysis can be utilized by less experienced individuals to conservatively estimate uncertainties in important parameters, such as k eff , in newly proposed nuclear applications. This type of analysis relies on matching new nuclear applications with existing benchmark experiments. The Whisper-1.1 software package included in MCNP6.2 ®1 contains more than 1,100 International Criticality Safety Benchmark Evaluation Project (ICSBEP) benchmarks. These benchmarks however rarely match new nuclear applications. The number of benchmarks available to match a given set of materials or geometric configurations varies significantly. Furthermore, recently performed benchmark experiments may not have had enough time to be properly documented and published. Benchmarks are vital for determining the accuracy of nuclear data and can assist nuclear physics and evaluators in improving nuclear data libraries. Exhaustively exploring the parameter space using simulations with software such as MCNP is too computationally expensive. In this work, Gaussian process optimization was implemented to reduce the number of simulations needed for optimization over multiple parameters. This optimization scheme was designed to selectively generate new benchmarks with high sensitivity-based similarity metrics to user-defined nuclear applications. Two benchmark models of spherically nested shells containing plutonium, uranium, tantalum, and water were used in the optimization to match an application containing plutonium plates, stacked in a tantalum reflector, surrounded by water.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Risk-informed Physical Security Using Dynamic Force-on-Force Modelling Tools (ABSTRACT)

Physical security requirement of nuclear power plants (NPPs) in the US is regulated in a mainly prescriptive manner. This “one size fits all” approach may consequently overlook plant-specific characteristics which are beneficial for the inherent safety and security of the plant. Although a performance-based security measure has been promulgated in 10 CFR 73.55(r), current evaluation methods generally emphasize static and conservative assumptions on physical security uncertainties. This conservatism contributes to the overall operational and maintenance costs, which account to 70% of total operating expenditures for an NPP. This paper describes an ongoing work at the Idaho National Laboratory within the Light Water Reactor Sustainability pathway, which aims to optimize physical protection system with regards to system effectiveness and dollar costs. To achieve this goal, a risk-informed approach to physical security is proposed. This approach leverages the Event Modeling Risk Assessment using Linked Diagrams (EMRALD) tool to model facility infiltration and Force-on-Force (FoF) engagement in a dynamic manner. The dynamic FoF analysis was conducted by coupling human performance uncertainties modeled in EMRALD to existing commercial 3-dimensional FoF software, i.e. SCRIBE3D, AVERT and Simajin. Meanwhile, risk analysis was accomplished by coupling the attack outcomes to existing plant Probabilistic Risk Assessment (PRA) model with FLEX strategy. This approach reduces the conservatisms in security modeling and further acknowledges the possibility for plant operators to mitigate the attack outcomes. A sabotage attack on a hypothetical NPP facility was devised to demonstrate the proposed methodology. Dynamic FoF rules were implemented in EMRALD coupled to SCRIBE3D. This dynamic evaluation revealed an additional 21% system effectiveness in protecting the target set relative to the static modelling approach. Furthermore, the conditional core damage probability could be reduced by up to 46% by crediting operator actions in mitigating the sabotage outcomes. We evaluated the relative importance of each component of the physical security posture included in the model and assessed tradeoffs between components to identify potential opportunities for cost reduction while maintaining a specific level of system effectiveness. Results of the cost analysis will be presented in the conference. This study is expected to help NPP operators in allocating resources optimally to satisfy the security requirements.

97 MATHEMATICS AND COMPUTING↗