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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

A Queue Simulation Tool for a High Performance Scientific Computing Center

The NASA Center for Computational Sciences (NCCS) at the Goddard Space Flight Center provides high performance highly parallel processors, mass storage, and supporting infrastructure to a community of computational Earth and space scientists. Long running (days) and highly parallel (hundreds of CPUs) jobs are common in the workload. NCCS management structures batch queues and allocates resources to optimize system use and prioritize workloads. NCCS technical staff use a locally developed discrete event simulation tool to model the impacts of evolving workloads, potential system upgrades, alternative queue structures and resource allocation policies.

Spear, Carrie↗

Scaling Decarbonization Development Innovation with Emerging Community-Based Developers: Preprint

The building real estate development industry is being asked to lead in delivering building decarbonization solutions across the United States. However, creating decarbonized best practices and development innovation while increasing developer diversity and community ownership is often not a primary focus of this sector. To address these issues, we have created an incubator and support ecosystem specifically for the innovation scaling we have found in a leading group of emerging, small-scale developers. These leaders are not just working at the forefront of decarbonized development but addressing diversity and bolstering community generational wealth. We have found that small development firms are the ones who often take risks to innovate and demonstrate despite lacking a specific set of resources or support ecosystems focused on emerging decarbonization developers. Those with the fewest resources are being asked to lead our decarbonization innovation efforts. This paper documents the necessity of a cohort and incubator program to provide a decarbonization-specific ecosystem to support small developers and scale innovation. The incubator creates connections, fosters innovative strategies to access incentives and alternative funding, and assembles resources for small and emerging minority developers with the goal of sustainability and affordability. For instance, collaborative efforts with leading developers and utilities can enable the seamless integration of distributed energy resources through optimal metering and interconnection and significantly reduce the utility cost of electrification, benefiting the utility, the developer, and the tenant economically. The process described in this paper will result in case studies and how-to resources to provide tangible examples of innovation within the emerging development field.

carbon↗

Quantum Technologies for UAS (QTech)

Recent advances in small Unmanned Aerial System (sUAS) technologies lower the barriers for use by both private and commercial entities. However, these advances are also likely to lead to greater vehicle densities, a more heterogenous mix of vehicles and equipment and greater levels of vehicle autonomy, which can increase the chance for communications disruptions. For the safe and secure operation of these vehicles, it is essential to have a robust communications network. This work is focused on harnessing the power of quantum technologies to enable this robust communications network by: (1) utilizing quantum optimization algorithms to design robust network with routing redundancy that can respond adaptively to dynamically changing real-time environment and disruptions, (2) utilize quantum optimization algorithms resource allocation for detection, localization, and tracking of mobile communication disruption agents and (3) utilize quantum key distribution (QKD) to execute secure key sharing in anti-jamming protocols for secure radio frequency (RF) communication. Efforts to map these quantum optimization algorithms to commercially available quantum annealers and soon to be available general-purpose gate-model quantum hardware architectures will be reviewed, and plans for testing the solutions to these algorithms through indoor sUAS flight tests will be discussed. Lastly, efforts to miniaturize and practically deploy Quantum Key Distribution (QKD) hardware, which could ultimately be used to securely exchange encryption keys, in sUAS networks will be reviewed.

Quantum Computing↗

Methods and systems for providing reconfigurable and recoverable computing resources

A method for optimizing the use of digital computing resources to achieve reliability and availability of the computing resources is disclosed. The method comprises providing one or more processors with a recovery mechanism, the one or more processors executing one or more applications. A determination is made whether the one or more processors needs to be reconfigured. A rapid recovery is employed to reconfigure the one or more processors when needed. A computing system that provides reconfigurable and recoverable computing resources is also disclosed. The system comprises one or more processors with a recovery mechanism, with the one or more processors configured to execute a first application, and an additional processor configured to execute a second application different than the first application. The additional processor is reconfigurable with rapid recovery such that the additional processor can execute the first application when one of the one more processors fails.

Stange, Kent↗

MEDPRAT Treatment Clusters: Improving Representation of Mission Medical Risk

INTRODUCTION The Medical Extensible Dynamic Probabilistic Risk Assessment Tool (MEDPRAT) implements a computational model that aims to quantify spaceflight medical risk by utilizing probabilistic techniques to simulate critical event incidence and outcomes over thousands of simulated mission trials. The goal of MEDPRAT is to characterize mission medical risk and provide insight into medical resource utilization. In order to analyze the medical resource space, treatment must be mapped from each simulated condition, and resources consumed as a result of this treatment must be tracked throughout the course of the mission. A new MEDPRAT feature, ‘treatment clusters’, provide a more sophisticated method of defining the structure and interaction between resources, more closely mimicking the way treatment is carried out clinically. METHODS Treatment clusters expand on the two existing treatment groupings (combination and alternate) adding a new grouping: bundled treatment. Treatment clusters may be combined to any depth, giving users the ability to specify complex treatment trees whose behavior is governed by several user-specified parameters. This approach emphasizes reusability, as treatment clusters, once defined, can be used to create more complex treatment trees or applied to many conditions. By configuring parameters for contribution, efficacy, necessity, primacy, and equivalence, resource relationships and dependencies can be more accurately represented, thereby allowing users to build capabilities with desired treatment properties, for example an intravenous capability for conditions such as anaphylaxis, acute radiation syndrome, etc. MEDPRAT v1.0 remains backward compatible with existing treatment structures, giving users the ability to define new treatment clusters as evidence becomes available, without having to recode their existing treatment databases. In addition to facilitating the representation of more complex treatment options, by pairing treatment clusters with the internal optimization routine, the MEDPRAT set selector, medical resources can be identified as organized in bundles, where appropriate, so that optimized resource sets include groups of highly-dependent resources only when all resources of the group are together. For example, it would be wasteful to include ultrasound gel but not an ultrasound machine, since the gel provides no benefit as a treatment without the ultrasound machine. With treatment clusters, the user may require that both resources are available to provide any benefit as treatment, so that if one resource is optimized out of the set, the other resource will be optimized out as well. RESULTS AND CONCLUSIONS We will report on MEDPRAT treatment clusters used in a bundling study under the IMPACT project of the ExMC element. We will discuss an example of a complex treatment tree. Through the implementation of this feature MEDPRAT enables treatment to be defined and applied in a way that is more representative of the real world, providing more accurate insight into mission medical risk and the medical resource space.

Lawrence Leinweber↗

Quantum Technologies for UAS (QTech)

Harness the power of quantum technologies to assure the availability of UAS communications against disruptions. Make use of quantum computing (e.g. quantum optimization) and quantum communication (e.g. quantum key distribution) to address the availability cybersecurity challenge. Our approach is three-fold: (1) Utilize quantum optimization algorithms to design robust network with routing redundancy that can respond adaptively to dynamically changing real-time environment and disruptions, (2) Utilize quantum optimization algorithms resource allocation for detection, localization, and tracking of mobile communication disruption agents, (3) Utilize quantum key distribution (QKD) to execute secure key sharing in high data rate optical communication and/or anti-jamming protocols for secure RF communication.

Quantum Computing↗

Hybrid power plant design for low-carbon hydrogen in the United States

In this study, we provide a nationwide techno-economic analysis of clean hydrogen production powered by a hybrid renewable energy plant for over 50,000 locations in the United States. We leverage the open-source Hybrid Optimization Performance Platform (HOPP) tool to simulate the hourly performance of an off-grid wind-solar plant integrated with a 1-GW polymer exchange membrane electrolyzer system. The levelized cost of hydrogen is calculated for varying technology costs, and tax credits to explore cost sensitivities independent of plant design, performance, and site selection. Our findings suggest that strategies for cost reduction include selecting sites with abundant wind resources, complementary wind and solar resources, and optimizing the sizing of wind and solar assets to maximize the hybrid plant capacity factor. These strategies are linked to increased hydrogen production and reduced electrolyzer stack replacements, thereby lowering the overall cost of hydrogen.

08 HYDROGEN↗

LHC EFT WG note: SMEFT predictions, event reweighting, and simulation

This note provides a comprehensive overview of tools for predicting observables in the Standard Model effective field theory (SMEFT) at both tree level and one loop using event generators. We evaluate three primary methodologies–event reweighting, separate simulation of squared matrix elements, and full SMEFT process simulation–focusing on their statistical performance, computational efficiency, and potential biases. Each approach is assessed in terms of its accuracy, highlighting trade-offs between precision and resource demands. Practical insights into their applicability for high-energy physics analyses are offered, with particular attention to processes where SMEFT effects are significant. Additionally, we discuss the role of helicity in reweighting strategies and its impact on the quality of predictions. By comparing the methods across various LHC processes, this note provides guidance for selecting the most effective strategy for various SMEFT studies, ensuring robust predictions while optimizing computational resources.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Nuclear Technology Selection and Preliminary Integration at St. Charles and Carrollton Chemical Plants

Nuclear energy is identified as a valuable candidate for decarbonizing industrial facilities as a non-emitting baseload energy source capable of dispatching energy as needed for an integrated facility. As industrial facilities are unique, analyzing what nuclear technology is the best candidate should be evaluated on a case-by-case basis. For two identified facilities of the Dow Chemical Company, an ideal mix of nuclear energy resources is calculated, and integration strategies are put forward. This research was funded through a Gateway for Accelerated Innovation in Nuclear (GAIN) Nuclear Energy Voucher, specifically seeking near-term engineering solutions for the technical issue of introducing nuclear generated energy into the Dow chemical facilities. The research is split into four main phases: background on reactors and chemical facilities, preliminary engineering analysis determining how reactor technologies may be integrated with specific facilities, site characterization and discrete hazards analysis, and finally an optimization of reactor-facility selection through the use of Framework for Optimization of ResourCes and Economics (FORCE) tools.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

The Integrated Medical Model: A Risk Assessment and Decision Support Tool for Space Flight Medical Systems

The Integrated Medical Model (IMM) is a decision support tool that is useful to mission planners and medical system designers in assessing risks and designing medical systems for space flight missions. The IMM provides an evidence based approach for optimizing medical resources and minimizing risks within space flight operational constraints. The mathematical relationships among mission and crew profiles, medical condition incidence data, in-flight medical resources, potential crew functional impairments, and clinical end-states are established to determine probable mission outcomes. Stochastic computational methods are used to forecast probability distributions of crew health and medical resource utilization, as well as estimates of medical evacuation and loss of crew life. The IMM has been used in support of the International Space Station (ISS) medical kit redesign, the medical component of the ISS Probabilistic Risk Assessment, and the development of the Constellation Medical Conditions List. The IMM also will be used to refine medical requirements for the Constellation program. The IMM outputs for ISS and Constellation design reference missions will be presented to demonstrate the potential of the IMM in assessing risks, planning missions, and designing medical systems. The implementation of the IMM verification and validation plan will be reviewed. Additional planned capabilities of the IMM, including optimization techniques and the inclusion of a mission timeline, will be discussed. Given the space flight constraints of mass, volume, and crew medical training, the IMM is a valuable risk assessment and decision support tool for medical system design and mission planning.

Kerstman, Eric↗

A Deep Learning-Driven Sampling Technique to Explore the Phase Space of an RNA Stem-Loop

The folding and unfolding of RNA stem-loops are critical biological processes; however, their computational studies are often hampered by the ruggedness of their folding landscape, necessitating long simulation times at the atomistic scale. Here, we adapted DeepDriveMD (DDMD), an advanced deep learning-driven sampling technique originally developed for protein folding, to address the challenges of RNA stem-loop folding. Although tempering- and order parameter-based techniques are commonly used for similar rare-event problems, the computational costs or the need for a priori knowledge about the system often present a challenge in their effective use. DDMD overcomes these challenges by adaptively learning from an ensemble of running MD simulations using generic contact maps as the raw input. DeepDriveMD enables on-the-fly learning of a low-dimensional latent representation and guides the simulation toward the undersampled regions while optimizing the resources to explore the relevant parts of the phase space. We showed that DDMD estimates the free energy landscape of the RNA stem-loop reasonably well at room temperature. Our simulation framework runs at a constant temperature without external biasing potential, hence preserving the information on transition rates, with a computational cost much lower than that of the simulations performed with external biasing potentials. Here, we also introduced a reweighting strategy for obtaining unbiased free energy surfaces and presented a qualitative analysis of the latent space. This analysis showed that the latent space captures the relevant slow degrees of freedom for the RNA folding problem of interest. Finally, throughout the manuscript, we outlined how different parameters are selected and optimized to adapt DDMD for this system. We believe this compendium of decision-making processes will help new users adapt this technique for the rare-event sampling problems of their interest.

Gupta, Ayush↗

Two-Dimensional High-Lift Aerodynamic Optimization Using Neural Networks

The high-lift performance of a multi-element airfoil was optimized by using neural-net predictions that were trained using a computational data set. The numerical data was generated using a two-dimensional, incompressible, Navier-Stokes algorithm with the Spalart-Allmaras turbulence model. Because it is difficult to predict maximum lift for high-lift systems, an empirically-based maximum lift criteria was used in this study to determine both the maximum lift and the angle at which it occurs. The 'pressure difference rule,' which states that the maximum lift condition corresponds to a certain pressure difference between the peak suction pressure and the pressure at the trailing edge of the element, was applied and verified with experimental observations for this configuration. Multiple input, single output networks were trained using the NASA Ames variation of the Levenberg-Marquardt algorithm for each of the aerodynamic coefficients (lift, drag and moment). The artificial neural networks were integrated with a gradient-based optimizer. Using independent numerical simulations and experimental data for this high-lift configuration, it was shown that this design process successfully optimized flap deflection, gap, overlap, and angle of attack to maximize lift. Once the neural nets were trained and integrated with the optimizer, minimal additional computer resources were required to perform optimization runs with different initial conditions and parameters. Applying the neural networks within the high-lift rigging optimization process reduced the amount of computational time and resources by 44% compared with traditional gradient-based optimization procedures for multiple optimization runs.

Greenman, Roxana M.↗

High-Lift Optimization Design Using Neural Networks on a Multi-Element Airfoil

The high-lift performance of a multi-element airfoil was optimized by using neural-net predictions that were trained using a computational data set. The numerical data was generated using a two-dimensional, incompressible, Navier-Stokes algorithm with the Spalart-Allmaras turbulence model. Because it is difficult to predict maximum lift for high-lift systems, an empirically-based maximum lift criteria was used in this study to determine both the maximum lift and the angle at which it occurs. Multiple input, single output networks were trained using the NASA Ames variation of the Levenberg-Marquardt algorithm for each of the aerodynamic coefficients (lift, drag, and moment). The artificial neural networks were integrated with a gradient-based optimizer. Using independent numerical simulations and experimental data for this high-lift configuration, it was shown that this design process successfully optimized flap deflection, gap, overlap, and angle of attack to maximize lift. Once the neural networks were trained and integrated with the optimizer, minimal additional computer resources were required to perform optimization runs with different initial conditions and parameters. Applying the neural networks within the high-lift rigging optimization process reduced the amount of computational time and resources by 83% compared with traditional gradient-based optimization procedures for multiple optimization runs.

Greenman, Roxana M.↗

A cell-centered AMR-ALE framework for 3D multi-material hydrodynamics. Part I: Lagrangian and indirect Euler AMR algorithms

Many applications of physics and engineering involve wide ranges of time and spatial scales. The numerical simulation of localized small scales such as shock waves and material interfaces requires a large number of computational cells in these regions. For these applications, Lagrangian and Arbitrary-Lagrangian-Eulerian (ALE) related methods are engaging since the moving mesh feature naturally brings mesh cells on shock discontinuities and material interfaces are carefully captured. In addition, Adaptive-Mesh-Refinement (AMR) strategies aim to optimize computational resources by concentrating finer mesh cells only in areas of interest while using coarser cells elsewhere. A key but challenging AMR requirement consists in efficiently distributing the computational effort to achieve high accuracy without the prohibitive computational costs associated with uniformly fine grids. Here, in this document, the coupling of the p4est AMR library with a cell-centered Lagrangian scheme is presented with the goal to perform reliable 3D Lagrangian-AMR and indirect Euler-AMR multi-material simulations. In particular, it is shown that starting from a 3D indirect ALE code, the memory management and load balancing requirements can be delegated to an external library (here the p4est library) to unlock ALE-AMR capabilities. First, we present a strategy to transcribe the octant-based connectivity of the 3D AMR framework with that of an unstructured mesh of polygonal cells used in Lagrangian hydrodynamics. Then, we show how refinement and coarsening operations must be adapted to the particular Lagrangian framework to ensure the conservation of volume during those steps. Finally, several numerical test cases are presented that demonstrate the capabilities of the Lagrangian-AMR and indirect Euler-AMR algorithms.

3D cell-centered Lagrangian numerical scheme↗

Fault-Tolerant Decentralized Control for Large-Scale Inverter-Based Resources for Active Power Tracking

Integration of inverter-based resources (IBRs) which lack the intrinsic characteristics such as the inertial response of the traditional synchronous-generator (SG)-based sources presents a new challenge in the form of analyzing the grid stability under their presence. While the dynamic composition of IBRs differs from that of the SGs, the control objective remains similar in terms of tracking the desired active power. This letter presents a decentralized primal-dual-based fault-tolerant control framework for the power allocation in IBRs. Overall, a hierarchical control algorithm is developed with a lower level addressing the current control and the parameter estimation for the IBRs and the higher level acting as the reference power generator to the low level based on the desired active power profile. The decentralized network-based algorithm adaptively splits the desired power between the IBRs taking into consideration the health of the IBRs transmission lines. The proposed framework is tested through a simulation on the network of IBRs and the high-level controller performance is compared against the existing framework in the literature. The proposed algorithm shows significant performance improvement in the magnitude of power deviation and settling time to the nominal value under faulty conditions as compared to the algorithm in the literature.

24 POWER TRANSMISSION AND DISTRIBUTION↗

An Integrated Paradigm for the Management of Delivery Risk in Electricity Markets: From Batteries to Insurance and Beyond

If power systems transition to integrate higher amounts of variable renewable energy sources, storage technologies, and distributed energy resources (DERs), new risk management frameworks are necessary to ensure cost-effective and reliable power system operations. Projects funded by the Advanced Research Projects Agency-Energy (ARPA-E) Performance-based Energy Resource Feedback, Optimization, and Risk Management (PERFORM) program aim to contribute new risk management frameworks by developing methods to quantify and manage risk at grid asset and system levels. The National Renewable Energy Laboratory (NREL) led a PERFORM project in collaboration with the Johns Hopkins University, the Electric Power Research Institute (EPRI), kWh Analytics, Packetized Energy, and Imperial Consultants (ICON). The project addressed two challenges related to risk management in electricity markets: managing net load imbalances and flexibility from DERs. This final technical report presents a list of project accomplishments, activities, and outputs.

24 POWER TRANSMISSION AND DISTRIBUTION↗

An ERTS-1 investigation for Lake Ontario and its basin

The author has identified the following significant results. Methods of manual, semi-automatic, and automatic (computer) data processing were evaluated, as were the requirements for spatial physiographic and limnological information. The coupling of specially processed ERTS data with simulation models of the watershed precipitation/runoff process provides potential for water resources management. Optimal and full use of the data requires a mix of data processing and analysis techniques, including single band editing, two band ratios, and multiband combinations. A combination of maximum likelihood ratio and near-IR/red band ratio processing was found to be particularly useful.

Polcyn, F. C.↗

Automating the multiprocessing environment

An approach to automate the programming and operation of tree-structured networks of multiprocessor systems is discussed. A conceptual, knowledge-based operating environment is presented, and requirements for two major technology elements are identified as follows: (1) An intelligent information translator is proposed for implementating information transfer between dissimilar hardware and software, thereby enabling independent and modular development of future systems and promoting a language-independence of codes and information; (2) A resident system activity manager, which recognizes the systems capabilities and monitors the status of all systems within the environment, is proposed for integrating dissimilar systems into effective parallel processing resources to optimally meet user needs. Finally, key computational capabilities which must be provided before the environment can be realized are identified.

Arpasi, Dale J.↗