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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 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Algorithm to extract direction in 2D discrete distributions and a continuous Frobenius norm

In this study, we present a novel algorithm for determining directionality in 2D distributions of discrete data. We compare a reference dataset with a known direction to a measured dataset with an unknown direction by the Frobenius norm of the difference (FND) to find the unknown direction. To generalize this concept, we develop a continuous Frobenius norm of the difference (CFND) as a continuous analog of the FND and derive its analytical expression. By relating fitted and normalized 2D Gaussian distributions, we show that the CFND approximates the FND, and we validate this relationship with computer simulations. We find that a first-order approximation of the CFND between two similar Gaussian distributions takes the form of an absolute sine function, offering a simple analytical form with potential applications in specialized areas such as segmented inverse beta decay neutrino detectors, astronomy, machine learning, and more. Our methodology consists of modeling a 2D Gaussian distribution, binning the data into a histogram, and encoding it as a square matrix. Rotating this matrix around its geometric center and comparing it to a measured dataset using the FND gives us rotational data that we fit with an absolute sine function. The location of the minimum of this fit is the angle closest to the true angle of the direction in the measured dataset. We present the derivation and discuss initial applications of the CFND in our novel algorithm, demonstrating its success in approximating directionality in 2D distributions.

Physics↗
DOE OSTI2025

Algorithm to extract direction in 2D discrete distributions and a continuous Frobenius norm

In this study, we present a novel algorithm for determining directionality in 2D distributions of discrete data. We compare a reference dataset with a known direction to a measured dataset with an unknown direction by the Frobenius norm of the difference (FND) to find the unknown direction. To generalize this concept, we develop a continuous Frobenius norm of the difference (CFND) as a continuous analog of the FND and derive its analytical expression. By relating fitted and normalized 2D Gaussian distributions, we show that the CFND approximates the FND, and we validate this relationship with computer simulations. We find that a first-order approximation of the CFND between two similar Gaussian distributions takes the form of an absolute sine function, offering a simple analytical form with potential for specialized applications in segmented inverse beta decay (IBD) neutrino detectors, astronomy, machine learning, and more. Although this method may easily extend to 3D scalar fields, our focus here is on 2D real-valued fields as it directly applies to directionality. Our methodology consists of modeling a 2D Gaussian distribution, binning the data into a histogram, and encoding it as a square matrix. Rotating this matrix around its geometric center and comparing it to a measured dataset using the FND gives us rotational data that we fit with an absolute sine function. The location of the minimum of this fit is the angle closest to the true angle of the direction in the measured dataset. We present the derivation and discuss initial applications of the CFND in our novel algorithm, demonstrating its success in approximating directionality in 2D distributions.

Data Analysis, Statistics and Probability (physics↗
DOE OSTI2023

Reducing the Flow Maldistribution in Heat Exchangers through a Novel Polymer Manifold: Numerical Evaluation

The maldistribution of working fluid is one of the issues in heat exchangers that causes a reduction in performance of not only the heat exchanger but also the entire HVAC system. One of the methods to reduce such maldistribution is to improve manifold design to evenly distribute the flow. In the present work, an advanced maldistribution reduction manifold, which was based on a preliminary maldistribution reduction manifold, was designed to further improve the flow distribution in the heat exchanger. In the design, spiral baffles are used to create vortices in the tubes to regulate the flow in each tube. The design also keeps the tubes away from the manifold inlet to avoid direct flow from the inlet. Due to the complexity, the design of the advanced maldistribution reduction manifold is for AM only, which cannot be fabricated by traditional manufacturing. To evaluate the design, a computational fluid dynamic model is developed to study flow distribution in heat exchanger manifolds. The simulation results reveal that the relative standard deviation of the tubes in the advanced maldistribution reduction design is half of the preliminary maldistribution reduction design and about 1/20 of the reference design.

42 ENGINEERING↗
DOE OSTI2022

Cyber Infrastructure for the Smart Electric Grid

As electric power systems undergo a transformative upgrade with the integration of advanced technologies to enable the smarter electric grid, professionals who work in the area require a new understanding of the evolving complexity of the grid. Cyber Infrastructure for the Smart Electric Grid delivers a comprehensive overview of the fundamental principles of smart grid operation and control, smart grid technologies, including sensors, communication networks, computation, data management, and cyber security, and the interdependencies between the component technologies on which a smart grid's security depends. The book offers readers the opportunity to critically analyze the smart grid infrastructure needed to sense, communicate, compute, and control in a secure way.

communication networks↗
DOE OSTI2024

Architecture and performance of Perlmutter's 35 PB ClusterStor E1000 all-flash file system

NERSC's newest system, Perlmutter, features a 35 PB all-flash Lustre file system built on HPE Cray ClusterStor E1000. Here, we present its architecture, early performance figures, and performance considerations unique to this architecture. We demonstrate the performance of E1000 OSSes through low-level Lustre tests that achieve over 90% of the theoretical bandwidth of the SSDs at the OST and LNet levels. We also show end-to-end performance for both traditional dimensions of I/O performance (peak bulk-synchronous bandwidth) and nonoptimal workloads endemic to production computing (small, incoherent I/Os at random offsets) and compare them to NERSC's previous system, Cori, to illustrate that Perlmutter achieves the performance of a burst buffer and the resilience of a scratch file system. Finally, we discuss performance considerations unique to all-flash Lustre and present ways in which users and HPC facilities can adjust their I/O patterns and operations to make optimal use of such architectures.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Prospects for strong coupling measurement at hadron colliders using soft-drop jet mass

We compute the soft-drop jet-mass distribution from pp collisions to NNLL accuracy while including nonperturbative corrections through a field-theory based formalism. Using these calculations, we assess the theoretical uncertainties on an αs precision measurement due to higher order perturbative effects, nonperturbative corrections, and PDF uncertainty. We identify which soft-drop parameters are well-suited for measuring αs, and find that higher-logarithmic resummation has a qualitatively important effect on the shape of the jet-mass distribution. We find that quark jets and gluon jets have similar sensitivity to αs, and emphasize that experimentally distinguishing quark and gluon jets is not required for an αs measurement. We conclude that measuring αs to the 10% level is feasible now, and with improvements in theory a 5% level measurement is possible. Getting down to the 1% level to be competitive with other state-of-the-art measurements will be challenging.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

A matheuristic for design and dispatch of a utility-connected distributed energy system

Modeling distributed power generation systems often requires complicated mathematical expressions that present challenges for commercial optimization solvers. Here, this paper presents a matheuristic to solve a mixed-integer optimization model that informs decisions regarding the design and dispatch of a utility-connected microgrid. We deploy a genetic algorithm to search the system design space and a linear program to solve the economic dispatch problem. The model is a component of a web tool that requires solutions within a few minutes. Our method yields objective function values within 5% of an exogenously produced optimal in fewer than 30 seconds for 90% of our test cases compared to only 10% of our test cases by a traditional optimization solver in the same amount of time.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Scalable training of trustworthy and energy-efficient predictive graph foundation models for atomistic materials modeling: a case study with HydraGNN

We present our work on developing and training scalable, trustworthy, and energy-efficient predictive graph foundation models (GFMs) using HydraGNN, a multi-headed graph convolutional neural network architecture. HydraGNN expands the boundaries of graph neural network (GNN) computations in both training scale and data diversity. It abstracts over message passing algorithms, allowing both reproduction of and comparison across algorithmic innovations that define nearest-neighbor convolution in GNNs. This work discusses a series of optimizations that have allowed scaling up the GFMs training to tens of thousands of GPUs on datasets consisting of hundreds of millions of graphs. Our GFMs use multitask learning (MTL) to simultaneously learn graph-level and node-level properties of atomistic structures, such as energy and atomic forces. Using over 154 million atomistic structures for training, we illustrate the performance of our approach along with the lessons learned on two state-of-the-art US Department of Energy (US-DOE) supercomputers, namely the Perlmutter petascale system at the National Energy Research Scientific Computing Center and the Frontier exascale system at Oak Ridge Leadership Computing Facility. The HydraGNN architecture enables the GFM to achieve near-linear strong scaling performance using more than 2000 GPUs on Perlmutter and 16,000 GPUs on Frontier.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Anelasticity and Phase Transition During Ramp-Release in Tin

This study examines the qualitative features of an anelasticity model associated with the bowing of dislocations in the presence of phase transition. A simple physically plausible mechanism is introduced to describe the interaction of anelasticity and the transformation. Varying the anelastic parameters results in strong differences in the deviatoric stress response. The model is applied to study the behavior of tin (Sn) and compared to data from ramp driven compression-release experiments. Tin exhibits a complex phase diagram within a relatively accessible range of temperature and pressures and the characterization of its phases is considered an open problem with significant scientific merit. The coupling between anelasticity, plasticity, and phase transformation contributes to release wave features traditionally associated with the phase transition effect alone suggesting the importance of accounting for the effects jointly. Posterior distributions of the plastic and anelastic parameters are computed using Bayesian-inference-based methods, further highlighting the importance of anelasticity in this regime.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Chapter Nine - Automated Optimal Control in Energy Systems: The Reinforcement Learning Approach

With the development of smart grid technologies an increasing number of new devices and participants have joined modern energy systems and are inevitably making them more complicated and interdependent than ever. Optimally controlling such a complex energy system and maintaining its operation in a high-efficient, secure, and resilient manner are challenging tasks to the system operators. Fortunately, the revolution in deep learning and artificial intelligence (AI), both from hardware and algorithms perspectives, has provided new ideas and solutions to many previously intractable problems. As a result, this advance in computer science also sparked great research interests in utilizing AI in solving engineering problems related to the modern energy systems. Among many AI techniques, deep reinforcement learning (DRL) has demonstrated great potential for solving sequential optimization problems, which are very common in the engineering domains. Its ability to handle nonlinearity and stochasticity in controlled systems has out-competed many traditional optimal control algorithms. Therefore in this chapter, we focus on the state-of-the-art of DRL concepts and related algorithms, compare their pros and cons with traditional optimal control approaches and discuss the typical workflow for leveraging RL in solving complex problems in modern energy systems.

artificial intelligence↗
DOE OSTI2021

Modeling and Evaluation of Cyber-Attacks on Grid-Interactive Efficient Buildings

Grid-interactive efficient buildings (GEBs) are not only exposed to passive threats (e.g., physical faults) but also active threats such as cyber-attacks launched on the network-based control systems. The impact of cyber-attacks on GEB operation are not yet fully understood, especially as regards the performance of grid services. To quantify the consequences of cyber-attacks on GEBs, this paper proposes a modeling and simulation framework that includes different cyber-attack models and key performance indexes to quantify the performance of GEB operation under cyber-attacks. The framework is numerically demonstrated to model and evaluate cyber-attacks such as data intrusion attacks and Denial-of-Service attacks on a typical medium-sized office building that uses the BACnet/IP protocol for communication networks. Simulation results show that, while different types of attacks could compromise the building systems to different extents, attacks via the remote control of a chiller yield the most significant consequences on a building system’s operation, including both the building service and the grid service. It is also noted that a cyber-attack impacts the building systems during the attack period as well as the post-attack period, which suggests that both periods should be considered to fully evaluate the consequences of a cyber-attack.

Fu, Yanyang↗
DOE OSTI2022

Sizing ramping reserve using probabilistic solar forecasts: A data-driven method

Ramping products have been introduced or proposed in several U.S. power markets to mitigate the impact of load and renewable uncertainties on market efficiency and reliability. Current methods often rely on historical data to estimate the requirements of ramping products and fail to take into account the effects of the latest weather conditions and their uncertainties, which could lead to overly conservative or insufficient requirements. This study proposes a k-nearest-neighbor-based method to give weather-informed estimates of ramping needs based on short-term probabilistic solar irradiance forecasts. Forecasts from multiple sites are employed in conjunction with principal component analysis to derive numerical classifiers to characterize system-level weather conditions. In addition, we develop a data-driven method to optimize the model parameters in a rolling-forward manner. By using real-world data from the California Independent System Operator, we design two metrics to evaluate method performance: 1) frequency of shortage and 2) oversupply of ramping product. Our proposed method presents advantages in comparison with the baseline and a set of benchmark methods: without compromising system reliability, it reduces system ramping requirements by up to 25%, therefore improving both system reliability and economics.

14 SOLAR ENERGY↗
DOE OSTI2022

Multiscale simulation of integrated energy system and electricity market interactions

Accelerating the deep decarbonization of the world's electric grids requires the coordination of complex energy systems and infrastructures across timescales from seconds to decades. Here, we present a new multiscale simulation framework that integrates process- and grid-centric modeling paradigms to better design, operate, and control integrated energy systems (IESs), which combine multiple technologies, in wholesale energy markets. Traditionally, IESs are analyzed with a process-centric paradigm such as levelized cost of electricity (LCOE) or annualized net revenue, ignoring important interactions with electricity markets. This framework explicitly models the complex interactions between an IES's bidding, scheduling, and control decisions and the energy market's clearing and settlement processes, while incorporating operational uncertainties. Through two case studies, we show the importance of understanding and quantifying complex resource-grid interactions. In case study 1, we demonstrate that optimized bidding from one resource shifts the profit distribution for all energy systems in the market. This result suggests new and more flexible IES technologies can disrupt the economics of all market participants, possibly leading to accelerated retirements of less flexible resources. Interestingly, the optimized bidding has little impact on grid-level aggregate statistics, such as total generation costs and renewable penetration rate. While aggregate modeling strategies may remain valid under some IES adoption scenarios for analysis focused on regional outcomes, direct comparisons of IES technologies at specific locations without considering these interactions may lead to misleading or incorrect conclusions. In case study 2, we consider the design and flexible operation of IESs that hybridize conventional generators with energy storage. Through a sensitivity analysis, we find that as the size of the storage system increases, the total number of start-ups for coal- and natural gas-based IESs reduced by 25% and 33.6%, and the total thermal generator ramping (i.e., mileage) reduced by 86.5% and 62.5%, respectively. This shows the primary benefit of storage may not be reduced operational costs (which do not change significantly) but fewer start-ups and less ramping, which may greatly simplify the design, operation, and control of carbon capture systems. The new modeling and optimization capabilities from this work enable the coupling of rigorous, dynamic process models with grid-level production cost models to quantitatively identify the nuanced interdependencies across these vast timescales that must be addressed to realize clean, safe, and secure energy production. Moreover, the proposed general multiscale simulation framework is applicable to all IES technologies and can be easily extended to consider other energy carriers (e.g., hydrogen, ammonia) and energy infrastructures (e.g., natural gas pipelines).

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

A Demand Bidding Model for Multi-Product Industrial Plants

The growing contribution of renewable energy sources has increased volatility and uncertainty in electricity markets, challenging traditional grid operation paradigms. Demand bidding (DB), a market participation model where (large) electricity users communicate their willingness to pay for electricity to the grid operator, was shown in previous work to enhance grid stability and lower generation cost. We present a DB model for multi-product industrial plants, based on an extended optimal power flow problem where the plant dynamics are represented using autoregressive with extra inputs (ARX) models. We compare DB to price-based demand-side management, showing that, under certain assumptions, the two approaches are equivalent, while DB provides more transparency and predictability to the grid operator. A case study based on an industrial air separation unit is discussed.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Axially-deformed solution of the Skyrme-Hartree-Fock-Bogoliubov equations using the transformed harmonic oscillator basis (IV) HFBTHO (v4.0): A new version of the program

We describe the new version 4.0 of the code HFBTHO that solves the nuclear Hartree-Fock-Bogoliubov problem by using the deformed harmonic oscillator basis in cylindrical coordinates. In the new version, we have implemented the restoration of rotational, particle number, and reflection symmetry for even-even nuclei. The restoration of rotational symmetry does not require using bases closed under rotation. Furthermore, we added the SeaLL1 functional and improved the calculation of the Coulomb potential. Finally, we refactored the code to facilitate maintenance and future developments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Second-generation downscaled earth system model data using generative machine learning

The second-generation Sup3rCC dataset provides high-resolution meteorological data generated through the downscaling of multiple earth system models (ESMs) from the Coupled Model Intercomparison Project Phase 6 (CMIP6). This downscaling is performed through application of a generative machine learning approach called Super-Resolution for Renewable Resource Data (sup3r). This dataset builds on the first-generation Sup3rCC data by applying improved bias correction methods and adding downscaled precipitation to the output variables. As with the first Sup3rCC version, the data still include temperature, wind speed and direction at multiple heights, pressure, three components of downwelling solar radiation, and relative humidity—all at 4-kilometer (km) hourly resolution over the contiguous United States. This is a 25x spatial enhancement and 24x temporal enhancement of the source 100-km daily-average ESM data. This extension of the Sup3rCC dataset includes data from six ESMs from two shared socioeconomic pathways (SSPs) totaling 400 years of data with multiple future projections of changing meteorological conditions. The scenario selection was based on a structured evaluation of historical ESM skill and comprehensive representation of possible trajectories of future climate change in temperature, humidity, precipitation, solar irradiance, and near-surface wind speeds. The inclusion of multiple future projections is intended to enable users to assess key drivers of un 36 certainty and variability. All data are double-bias corrected, resulting in a product that can be used out-of-the-box for energy system analysis with minimal historical bias. The potential applications of Sup3rCC data extend to various topics in renewable energy resource assessment, energy systems modeling, and grid resilience studies. High-resolution future meteorological projections are critical for evaluating the effects of changing meteorological conditions on renewable energy generation, energy demand, and for optimizing energy storage and grid infrastructure. The 4-km hourly resolution of the downscaled data enables understanding of spatial and temporal variability at the scales necessary for energy system operational planning. In addition, the dataset can support risk assessments by providing detailed information on possible future extreme weather events and long-term meteorological variability at scales relevant to energy infrastructure. By offering an enhanced representation of possible future meteorological conditions, the second-generation Sup3rCC dataset enables more precise modeling of energy resilience and adaptation strategies in response to changing meteorological conditions.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

Hierarchical semi-Markov models with duration-aware dynamics for activity sequences

Residential electricity demand at granular scales is driven by what people do and for how long. Accurately forecasting this demand for applications like microgrid management and demand response therefore requires generative models for activities that can produce realistic daily activity sequences, capturing both the timing and duration of human behavior. This paper develops a generative model of human activity sequences using nationally representative time-use diaries at a 10-min resolution. We use this model to quantify which demographic factors are most critical for improving predictive performance. We propose a hierarchical semi-Markov framework that addresses two key modeling challenges. First, a time-inhomogeneous Markov router learns the patterns of “which activity comes next.” Second, a semi-Markov hazard component explicitly models activity durations, capturing “how long” activities realistically last. To ensure statistical stability when data are sparse, the model pools information across related demographic groups and time blocks. The entire framework is trained and evaluated using survey design weights to ensure our findings are representative of the U.S. population. On a held-out test set, we demonstrate that explicitly modeling durations with the hazard component provides a substantial and statistically significant improvement over purely Markovian models. Furthermore, our analysis reveals a clear hierarchy of demographic factors: Sex, Day-Type, and Household Size provide the largest predictive gains, while Region and Season, though important for energy calculations, contribute little to predicting the activity sequence itself. The result is an interpretable and robust generator of synthetic activity traces, providing a high-fidelity foundation for downstream energy systems modeling.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

An interregional optimization approach for time series aggregation in continent-scale electricity system models

Modeling electric power systems with high shares of weather-dependent resources requires tradeoffs between temporal, spatial, and operational resolution. Many studies perform time series aggregation using clustering algorithms to reduce the temporal dimension, but when modeling continent-scale electricity systems that are large enough to contain multiple independent weather systems, this approach requires large numbers of representative periods to minimize errors in regional wind and solar capacity factors. Here, a new optimization-based approach for representative period selection and weighting is introduced that minimizes regional errors in average renewable capacity factors and electricity demand. The method delivers higher regional fidelity with fewer representative periods than alternative clustering methods when applied to wind, solar, and demand profiles for the contiguous United States. When representative periods are selected from multiple weather years, the optimized method reproduces regional averages with lower error than a complete 365-day time series from any single weather year. The method identifies only representative (as opposed to outlying) periods but can be combined with an iterative "stress period" identification approach to guide efficient decision-making considering both average and high-risk weather conditions.

24 POWER TRANSMISSION AND DISTRIBUTION↗