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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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159 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Side-channel Leakage Assessment Metrics: A Case Study of GIFT Block Ciphers

Determination of an adequate level of security and providing subsequent mechanisms to achieve it, is one of the most pressing problems regarding embedded computing devices. While there are some solutions available for resource-rich computer systems, direct application of these solutions to resource-constrained environments are often unfeasible. The fundamental problem for such resource-constrained systems is the fact that current cryptographic algorithms utilize significant energy consumption and storage overhead. Both the cryptographic algorithm and its physical implementation affect the resilience of a cryptosystem against side-channel attacks. A side-channel attack represents a process that exploits leakages in order to extract sensitive information such as the key. This paper focuses on Correlation Power Analysis (CPA) which is side-channel attack based on the power consumption leakage. In 2016 the U.S. Commerce Department’s National Institute of Standards and Technology (NIST) initiated the call for proposals of new cryptographic algorithms to strengthen the cryptographic defense of networked devices against cyberattacks and to protect the data created by those innumerable device. This work evaluates S-boxes used by NIST candidates PICCOLO, GIFT, and PRESENT, as well as several S-box variants that demonstrated sufficient weaknesses against classical cryptanalysis, for a quantitative comparison in terms of resiliency to CPA attack. Three well-known theoretical metrics are evaluated: transparency order (TO and RTO), nonlinearity, and signal-to-noise (SNR) ratio, aiming to characterize the resistance of these S-boxes against adversaries exploiting physical leakages. Experimental results from attacks on an 8- bit XMEGA were obtained via the ChipWhisperer platform and of all the S-boxes evaluated, GIFT64 with a PICCOLO S-box was found to be the most susceptible to CPA. Results showed that variations in TO and RTO were not sufficient to ensure practical CPA resistance and that among S-boxes with equal non-linearity there were no significant differences in the TO and SNR variants.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Side-channel Leakage Assessment Metrics: A Case Study of GIFT Block Ciphers

Determination of an adequate level of security and providing subsequent mechanisms to achieve it, is one of the most pressing problems regarding embedded computing devices. While there are some solutions available for resource-rich computer systems, direct application of these solutions to resource-constrained environments are often unfeasible. The fundamental problem for such resource-constrained systems is the fact that current cryptographic algorithms utilize significant energy consumption and storage overhead. Both the cryptographic algorithm and its physical implementation affect the resilience of a cryptosystem against side-channel attacks. A side-channel attack represents a process that exploits leakages in order to extract sensitive information such as the key. This paper focuses on Correlation Power Analysis (CPA) which is side-channel attack based on the power consumption leakage. In 2016 the U.S. Commerce Department’s National Institute of Standards and Technology (NIST) initiated the call for proposals of new cryptographic algorithms to strengthen the cryptographic defense of networked devices against cyberattacks and to protect the data created by those innumerable device. This work evaluates S-boxes used by NIST candidates PICCOLO, GIFT, and PRESENT, as well as several S-box variants that demonstrated sufficient weaknesses against classical cryptanalysis, for a quantitative comparison in terms of resiliency to CPA attack. Three well-known theoretical metrics are evaluated: transparency order (TO and RTO), nonlinearity, and signal-to-noise (SNR) ratio, aiming to characterize the resistance of these S-boxes against adversaries exploiting physical leakages. Experimental results from attacks on an 8- bit XMEGA were obtained via the ChipWhisperer platform and of all the S-boxes evaluated, GIFT64 with a PICCOLO S-box was found to be the most susceptible to CPA. Results showed that variations in TO and RTO were not sufficient to ensure practical CPA resistance and that among S-boxes with equal non-linearity there were no significant differences in the TO and SNR variants.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Developing Smart Building Technology Modules to Enhance Workforce Preparedness: A Case for AI-Driven Academic and Professional Education

Smart building technologies are resources that improve building energy efficiency and resilience, reduce carbon emissions, and provide load flexibility to the grid. However, in both academic curricula and building professionals’ continuing education, there is a lack of systematic instruction on methods to integrate multiple energy systems including distributed energy resources (DER), smart building technologies, AI (Artificial Intelligence) tools and key concepts, components, and controls, including “Internet of Things” (IoT) devices. In today’s dynamic workforce, this major gap in smart building technology education prevents stakeholders from being able to attract talent with an understanding and preparation to adopt smart building technologies in building design and operations. A federally funded project included a partnership between Slipstream and Texas A&M University (TAMU) to develop a semester-long smart building curriculum for engineering college students with the ability to adapt the contents for workforce development of professionals in building services. The final product consists of 16 training videos adapted for building professionals and the public. The educational content and training materials cover the benefits of building energy systems, the latest sensor technologies and IoT devices, all with a focus on smart building technologies. The key drivers are on topics related to smart building controls (i.e., energy management information systems), smart building control platforms, cybersecurity, grid-interactive-efficient buildings (GEBs), smart building control methods, and occupant-centric control. Although not explicitly included the technologies nod to the need for AI driven technologies to prepare engineers and industry professionals to be future ready. This paper describes the project approach, provides outlines of the training materials, and identifies lessons learned in creating the content for this course. The authors suggest ways to scale the instruction of smart building concepts to empower the workforce to accelerate the adoption of smart building technologies and AI-based teaching and learning in higher education and building sector.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2021

BioSecure Digital Twin: Manufacturing Innovation and Cybersecurity Resilience

U.S. national security, prosperity, economy, and well-being require secure, flexible, and resilient Biopharmaceutical Manufacturing. The COVID-19 pandemic reaffirmed that the biomedical production value-chain is vulnerable to disruption and has been under attack from sophisticated nation-state adversaries. Current cyber defenses are inadequate, and the integrity of critical production systems and processes are inherently vulnerable to cyber-attacks, human error, and supply chain disruptions. The following chapter explores how a BioSecure Digital Twin will improve U.S. manufacturing resilience and preparedness to respond to these hazards by significantly improving monitoring, integrity, security, and agility of our manufacturing infrastructure and systems. The BioSecure Digital Twin combines a scalable manufacturing framework with a robust platform for monitoring and control to increase U.S. biopharma manufacturing resilience. Then, the chapter discusses some of the inherent vulnerabilities and challenges at the nexus of health and advanced manufacturing. Next, the chapter highlights that as the Pandemic evolves, we need agility and resilience to overcome significant obstacles. This section highlights an innovative application of Cyber Informed Engineering to developing and deploying a BioSecure Digital Twin to improve the resilience and security of the biopharma industrial supply chain and production processes. Finally, the chapter concludes with a process framework to complement the Digital Twin platform, called the Biopharma (Observe, Orient, Decide, Act) OODA Loop Framework (BOLF), a four-step approach to decision-making outputs from the Digital Twin. The BOLF will help end users leverage twin technology by distilling the available information, focusing the data on context, and rapidly making the best decision while remaining cognizant of changes that can be made as more data becomes available.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2021

MIRACL Co‐Simulation platform for control and operation of distributed wind in microgrid

Abstract This paper presents a co‐simulation platform (CSP) developed as a part of the “Microgrids, Infrastructure Resilience and Advanced Controls Launchpad (MIRACL)” project, hereafter called MIRACL‐CSP, to allow simulation‐based testing, demonstration, and evaluations of distributed wind under various grid operating conditions. MIRACL‐CSP provides modular interactions among the power distribution system, distributed wind, and utility decision‐making framework. A hierarchical engine for large‐scale infrastructure co‐simulations (HELICS) is used as the core engine of MIRACL‐CSP to establish time and information coordination among the MIRACL‐CSP modules. In this study, MIRACL‐CSP performance is demonstrated using the IEEE 123‐node test distribution grid modelled in GridLAB‐D and the utility decision support application modelled in Python. The functionality of MIRACL‐CSP is demonstrated through various grid operational scenarios in a microgrid and networked microgrid environment. A co‐simulation study is described that demonstrated MIRACL‐CSP capabilities for the microgrid operational scenario in the IEEE 123‐node test system. MIRACL‐CSP is a generic platform that facilitates distributed wind research for different test systems, applications, and valuation of distributed wind.

17 WIND ENERGY↗
DOE OSTI2025

Nondestructive In Operando Imaging of Thin Film Composite Membrane Compaction Enhanced by AI-Based Segmentation

Reverse osmosis (RO) membranes are essential for desalination and water reuse, yet their permeability declines in high-pressure applications due to membrane compaction. This study investigates the structural and functional responses of commercial brackish, seawater, and high-pressure RO membranes at applied pressures up to 120 bar using a multiscale, nondestructive in operando scanning electron microscopy (iSEM) imaging platform. The iSEM technique reveals progressive densification across the composite membrane structure, which correlates with observed declines in water and solute permeance. To quantify these structural changes with greater fidelity, we combined X-ray computed tomography with AI-based segmentation enabling precise analysis of pore size distribution and thickness of the polysulfone support layer. Compared to traditional thresholding, AI segmentation accurately delineates material phases and void spaces, enhancing the reproducibility and resolution of morphological assessments. The results demonstrate that compaction-induced reductions in porosity and thickness strongly impact membrane transport properties. These findings provide mechanistic insights into the compaction behavior of RO membranes and underscore the potential for advanced imaging and AI-driven data analysis to guide the design of next-generation membranes with improved mechanical resilience and operational longevity.

13 HYDRO ENERGY↗
DOE OSTI2026

AutoBEM: A scalable framework for nationwide building energy simulation and retrofit evaluation in the United States

This paper presents AutoBEM, an integrated, automated framework for nationwide building energy modeling and retrofit evaluation in the United States. Unlike prior UBEM platforms that either rely primarily on representative stock sampling or operate at city scale, AutoBEM automates the generation of building-resolved, physics-based EnergyPlus/OpenStudio simulation models at national scale using GIS-derived geometry, prototype-based assumptions, and standardized scalable workflows. Leveraging the Model America dataset and high-performance computing, AutoBEM generates and simulates energy models for 122.9 million buildings, representing 97.8% of the U.S. building stock. These models are being made publicly and freely available as the Model America v1.0 (MAv1) dataset. AutoBEM supports detailed, building-level assessments of energy consumption, CO2 emissions, and post-processed anthropogenic heat emissions (AHE), and evaluates 151 energy conservation measures (ECMs) using localized utility pricing and building characteristics. In addition, AutoBEM incorporates both typical and future climate conditions through integration with Typical Meteorological Year (TMY) and Future TMY (fTMY) weather data derived from IPCC scenarios. In a case study of Phoenix, Arizona, AutoBEM identified several high-efficiency HVAC upgrades and selected envelope measures with short modeled payback periods (1.5 years) for certain building types and standards. Simulations under future climate scenarios (SSP5–RCP8.5) project an 11.3% increase in electricity use and a 32% reduction in natural gas demand by 2100, underscoring the need for climate-adaptive retrofit planning. By enabling reproducible, bottom-up, and location-specific analysis at scale, AutoBEM provides a step toward a national digital twin of the built environment and supports data-driven screening and planning for decarbonization, resilience, and energy equity.

Li, Hang [ORNL] (ORCID:0000000306001920)↗
DOE OSTI2022

Roadmap to Automated Mobility Systems: Informing the Planning of a Sustainable, Resilient Transportation Ecosystem for Dallas/Fort Worth International Airport

The National Renewable Energy Laboratory (NREL) developed this report to provide Dallas/Fort Worth International Airport (DFW) assistance toward a vision that considers the maturation and proliferation of mobility automation, electrification, and infrastructure integrated with Internet of Things (IoT) technologies as they present themselves on the path to 2035. In planning ongoing infrastructure investments, DFW has goals to accommodate and leverage these enabling technologies toward greater sustainability and enhanced traveler and employee experiences, ensuring that infrastructure investments are fully utilized into the future. The objective of this document is to assist DFW to anticipate and envision future airport access by travelers, employees, and goods by examining existing needs and exploring opportunities enabled by technology that informs longer-term infrastructure planning. The vast infrastructure of DFW, which includes buildings, roadways, and other physical structures, as well as growing digital and energy network infrastructures, requires long-term planning and strategy to fully leverage technology advancement and avoid abandoning assets due to functional obsolescence.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

Topologically Protected Flatness in Chiral Moiré Heterostructures

The observation of delicate correlated phases in twisted heterostructures of graphene and transition metal dichalcogenides suggests that moiré flat bands are intrinsically resilient against certain types of disorder. Here, we investigate the robustness of moiré flat bands in the chiral limit of the Bistritzer-MacDonald model—applicable to both platforms in certain limits—and demonstrate drastic differences between the first magic angle and higher magic angles in response to chiral symmetric disorder that arise, for instance, from lattice relaxation. We understand these differences using a hidden constant of motion that permits the decomposition of the non-Abelian gauge field induced by interlayer tunnelings into two decoupled Abelian ones. At all magic angles, the resulting effective magnetic field splits into an anomalous contribution and a fluctuating part. The anomalous field maps the moiré flat bands onto a zeroth Dirac Landau level, whose flatness withstands any chiral symmetric perturbation such as nonuniform magnetic fields due to a topological index theorem—thereby underscoring a topological mechanism for band flatness. Only the first magic angle can fully harness this topological protection due to its weak fluctuating magnetic field. In higher magic angles, the amplitude of fluctuations largely exceeds the anomalous contribution, which we find results in a physically meaningless chiral operator and an extremely large sensitivity to microscopic details and an exponential collapse of the single-particle gap. Through numerical simulations, we further study various types of disorder and identify the scattering processes that are enhanced or suppressed in the chiral limit. Interestingly, we find that the topological suppression of disorder broadening persists away from the chiral limit and is further accentuated by isolating a single sublattice polarized flat band in energy. Our analysis suggests the Berry curvature hot spot at the top of the K and K ′ valence band in the transition metal dichalcogenide monolayers is essential for the stability of its moiré flat bands and their correlated states. Published by the American Physical Society 2025

Crépel, Valentin (ORCID:0000000302403412)↗
DOE OSTI2025

Cleavage of C-O and C-C Bonds in Lignin-Derived Compounds to Produce Aromatics Using Molybdenum-Containing MFI Zeolites

Lignin, the most abundant source of renewable arenes, is a viable feedstock for the production of aromatic compounds. However, the prevalence of resilient C-C bonded oligomeric fragments in lignin-derived streams can compromise monomer yields during reductive catalytic fractionation (RCF). To address this issue, we developed a bifunctional molybdenum-containing MFI (Mo/H-MFI) zeolite catalyst capable of cleaving both C-O and C-C bonds in lignin-derived molecules to produce aromatic monomers. Using propylguaiacol as a model compound, we demonstrated the importance of proximity between metallic molybdenum carbide sites and the Bronsted acid sites in the zeolite in achieving high carbon yields (~80%) of benzene, toluene, propylbenzene, and phenol while maintaining catalyst stability (>98% stable conversion for 20 h). A reaction network involving both C-O and C-C bond cleavage pathways was proposed based on kinetic studies using key intermediates as feeds. Finally, we successfully depolymerized partially deoxygenated lignin oil obtained from the RCF of poplar using a continuous, two-pass catalytic process. This work highlights the potential of the bifunctional Mo/H-MFI catalyst in upgrading complex lignin feedstocks and provides a methodological approach for converting lignin-derived compounds into platform aromatic chemicals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Framework for Modeling 3D-Printed Concrete Construction to Assess Energy Efficiency and Backup Power Trade-Offs in a Mixed-Use, New Construction Neighborhood Development

This paper presents a framework that expands the URBANopt(TM) modeling platform to include 3D-printed concrete wall assemblies and assess energy efficiency and backup power trade-offs in new housing developments. Applied to a planned mixed-use neighborhood in Oil City, Pennsylvania, the workflow integrates building energy and distributed energy resource (DER) modeling to evaluate envelope and equipment upgrades alongside DER operations. Results show that advanced 3D-printed envelopes combined with efficient systems and onsite photovoltaics (PV) and storage reduce energy use intensity and sustain critical loads during outages. The framework supports planning for emerging construction technologies by quantifying key trade-offs between energy efficiency and backup power performance.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Developing an Automated Uncertainty Quantification Tool to Improve Watershed-Scale Predictions of Water and Nutrient Cycling

Managing the flow of water, nutrients, and contaminants in watersheds is vital to addressing pressing issues related to water scarcity, access to clean drinking water, energy production, resilience to natural and anthropogenic perturbations, and ecological restoration. Decisions about the management of watersheds critically depend on the accuracy with which the flow of water and chemicals through the watershed can be predicted by computer models. Prediction uncertainty can be reduced by matching the model to data, which are collected in the field at great expense. The contribution of watershed characterization data to reducing uncertainty of relevant model predictions can be evaluated in a so-called data-worth analysis, which provides transparent, quantitative metrics about a data set’s value for the support of relevant watershed management objectives. To achieve this goal, we developed a software package that implements the data-worth analysis approach for use with state-of-the-art watershed models. The purpose of the proposed data-worth analysis is to help decision-makers allocate resources for watershed characterization such that the uncertainty in model predictions can be significantly reduced, which leads to better, more effective management decisions. At the same time, watershed characterization costs can be reduced. The specific technical objectives of this SBIR/STTR Phase II project were to develop a framework and associated software toolsets that implement the uncertainty quantification and data-worth analysis approach for use with state-of-the-art watershed models. This goal was achieved by (A) developing a user-friendly, robust software package that is accessible to a wide audience, including watershed managers, policy-makers, and public stakeholders; (B) by demonstrating application of the prototype on several use cases that are representative of complex watershed management challenges spanning a range of scales and that consider different open-source, DOE-based codes and other modeling platforms; and (C) by gathering information about the needs and requirements from potential users to help guide future developments, ensuring that the final product will be commercially viable. The developed software consists of a graphical user interface that guides the user through a sequence of analysis steps, supported by toolsets that leverage state-of-the-art computational simulation-optimization capabilities. A prototype of the software runs on multiple platforms (PC, Mac, multi-processor Linux environment), is linked to diverse watershed simulators (e.g., ECOSYS, TOUGH2, TOUGHREACT, Amanzi-ATS), performs multiple analysis tasks (predictive simulations, sensitivity analysis, uncertainty analysis, automatic parameter estimation, and data-worth analysis, multicomponent geothermometry), and is readily extensible to include external simulators and analysis tools. The software is being commercialized and will be continually updated to address user needs.

58 GEOSCIENCES↗
DOE OSTI2023

Small Reactors in Microgrids: Technology Modeling and Selection (Net-Zero Microgrid Program Project Report)

This report demonstrates the capabilities of the net-zero microgrid (NZM) Xendee platform for modeling an SR module with electricity, heat extraction and thermal storage in microgrids configurations. The model effectively captures the most important technical and economic considerations for SR technology specific analysis: cost and operational characteristics of SR technology and financial costs and incentives. The model can analyze multiple scenarios to establish metrics for cost-competitive and zero-carbon microgrids connected to the grid or completely isolated. The model is fully integrated within the Xendee platform for modeling and analysis of clean energy microgrids with storage and generation from renewable energy sources. The model captures the capabilities, constraints, and nuances of SR by incorporating parameters related to plant economics, design efficiency and performance, plant operation and component and fuel lifespan. The cost and operational parameters modeled in the SR module are specific to the technology selected for integration in the microgrid. Cost parameters recognize advanced nuclear technology for modular production and installation based on economies of scale from factory manufacture and related commissioning, and cost reduction through technology maturation—first-of-a-kind (FOAK) and nth-of-a-Kind (NOAK). The cost parameters include installation, operations and maintenance (O&M), fuel refueling cycle, and reactor life. Installation cost reflects economies of scale due to unit sizing at scale and colocation. O&M economies of scale for both fixed- and variable-cost fuel life-cycle costs are incurred at every refueling interval, with separate front- and back-end fuel costs, as well as waste-handling and disposition costs. This report investigates key characteristics of different SR technologies suitable for microgrid applications, including design principles, sizing, coolant properties, temperature ratings, fuel structures, and life-cycle considerations. This also includes fuel technologies applicable to these SR systems, alongside strategies for nuclear-waste and spent-fuel management and approaches to address safety, security, and proliferation challenges. Four primary groups of SR technologies are examined: water-cooled, liquid-metal-cooled, high-temperature gas-cooled, and molten-salt-cooled systems. In this report, an initial guideline for technology selection is established, aligning the characteristics of the technologies with the requirements of microgrids. The selection of technology in a microgrid is influenced by various factors, including financial capacity, location and accessibility, demand type and characteristics, reliability and resilience requirements, area constraints, and the lifespan of the microgrid. The types of electrical and non-electrical applications within the microgrid also play a significant role in technology selection. The characteristics of SRs, such as their smaller size, modularity, transportability, long refueling interval, improved safety features, ability to operate in autonomous or semi-autonomous mode, and provision of high-grade heat, are particularly appealing for microgrids. Furthermore, a list of considerations for implementing SRs in microgrids is outlined. The SR model is created to be continuously improved with the acquisition of actual data on investment and operational costs, experience with supply chains, production at scale, and field deployments. In the near term, performance data on applications in microgrids will become available from lessons learned from laboratory tests, such as those planned for the Microreactor Applications Research Validation and Evaluation Project (MARVEL), led by Idaho National Laboratory (INL). The SR model incorporates scenario data and known SR design specifications, enabling technoeconomic analysis for SR deployment in microgrids. It specifically considers the distinctive attributes of SRs as generators in technoeconomic studies. SRs can be modeled and analyzed with generation from renewable-energy sources, energy storage, and flexible loads over a range of functionality and applications. This offers a comprehensive tool for feasibility studies, scenario development, and sensitivity analysis for “what-if” consideration of any range of assumptions about SRs in microgrids and other aggregations of distributed-energy resources, including virtual power plants.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Machine-Learning-Based Mapping and Modeling of Solar Energy with Ultra-High Spatiotemporal Granularity

Despite the rapid growth of solar energy, we still lack a dynamic, high-fidelity database that tracks the spatiotemporal variations of solar PVs and their associated infrastructures across different places at a spatially resolved scale. The absence of such data presents a barrier to various applications such as solar PV growth projection, solar energy integration, solar incentive design, and climate risk assessment. In this project, we aim to bridge this gap by developing AI-based algorithms to extract granular information about solar PV installations and their associated infrastructures (i.e., distribution grids) from widely available unstructured data like remote sensing images and street views. As a result, we have built the Solar Energy Atlas, a fine-grained, large-scale geospatial overlay of distributed solar PVs and distribution grids. On top of it, we have advanced the understanding of solar adoption and distribution grid vulnerability to climate-induced extremes. Our major contributions can be summarized as follow: (1) By developing new AI algorithms, we have built the most comprehensive solar PV spatiotemporal database covering the entire US. This is the first time we obtained the exact GPS locations, size, subtype, and installation year information for rooftop solar PVs across the US. This database can be used for solar PV growth projection, solar energy integration, solar energy policy analysis and design, and spatially-resolved climate risk assessment. (2) Leveraging this database, we have uncovered the socioeconomic driving factors that are correlated with earlier onset of solar adoption and higher saturated adoption levels. We have identified the heterogeneity in the effects of different types of financial incentives on solar adoption and provided implications for tailoring incentive design based on local income levels to promote equitable solar adoption. (3) We have developed a distribution grid GIS mapping algorithm which can obtain granular geospatial and topology information about distribution grids using multi-modal open data, reducing the dependency on hard-to-obtain smart meter data of conventional approaches. It shows effectiveness in both the U.S. and Sub-Saharan Africa. Using this algorithm, we have uncovered the non-uniform vulnerability of distribution grids to wildfires in California in the aspects of undergrounding protection and Distributed Energy Resources (DER) preparedness. This has provided important implications for improving the affordability and equity of grid adaptation approaches. (3) We have made our produced database publicly available and provided user-friendly interface to enable various stakeholders and the general public to interact with the data. We have also integrated the produced data into the Data Commons platform to enable the public to access the data and correlate it with other location-specific characteristics simply using natural language as queries. The impact of our project is three-fold: (1) New algorithms for mapping solar PVs and distribution grids across space and time, which are open source to facilitate researchers and industry; (2) New databases of solar PVs and distribution grids that have been made publicly available for engineering, social, and policy applications; (3) New understandings and actionable insights on the potential approaches to promoting solar adoption and reducing energy infrastructure vulnerabilities. In this report, we start by discussing the project background and motivation (section 5), followed by the overview of project objectives (section 6). Results and discussion for each task are presented in section 7. Significant accomplishments are summarized in section 8. This report will be concluded by discussing the paths forwards (section 9), products (section 10), and team roles (section 11).

14 SOLAR ENERGY↗
DOE OSTI2022

Computer Science Research Needs for Parallel Discrete Event Simulation (PDES)

Historically, scientific computing efforts have demonstrated the clear need for, and effective use of, supercomputing with traditional time-stepped simulations. Nevertheless, there are several areas in the mission spaces of the U.S. Department of Energy and other agencies waiting to tap advanced computing research using a different, discrete event style of modeling, simulation, and analysis. These span a wide spectrum of applications including energy grid resilience, urban planning and policy, transportation science, building technologies, emergency response and planning, environmental impact analysis, computational epidemiology, Internet communications, cyber security, and cyber-physical systems, to name only a few. Even within traditional scientific applications, the role of discrete event modes of execution is increasing in the form of new event-based mathematical solvers such as quantized state integration methods and discrete-continuous hybrid system solvers. Co-design of advanced supercomputing hardware systems is another area that exploits discrete event simulation at its core for effective analyses. Complex systems, entity behaviors and interconnections play a significant role in all these applications, which are mapped to large-scale models with discrete event formulations. To make advancements in all the aforementioned scientific areas, many technical aspects need to be more thoroughly studied and deeply understood in parallel discrete event simulation (PDES). The unique dynamics inherent in a discrete event modeling approach, by their very nature, intersect and influence the entire stack of the computing system, including (a) the unique nature of the instruction sets exercised in PDES workloads without a predominance of high-precision floating point operations, (b) virtual time-constrained multi-threaded execution of many logical processes per processor, (c) extremely variable and difficult to predict network traffic characteristics, (d) interfaces and inter-dependencies with machine learning and artificial intelligence codes at higher software layers, and (e) highly challenging load balancing needs, especially in effectively accounting for accelerated/extremely heterogeneous computing in current and future high-performance computing systems. Efficient and accurate parallel execution of PDES workloads is also dominated by challenges in dealing with their asynchronous concurrency fundamentally present at the model level. Conservative synchronization, optimistic/speculative synchronization, and their hybrid schemes open new questions in fundamental computer science with respect to reversibility of computation and prediction (lookahead) of behaviors inherent within model codes. On the implementation front, there are relatively few scalable, general-purpose parallel discrete event simulators in the world, and even fewer have been studied on emerging hardware platforms. To enable scientific advances using PDES, the research needs in computer science must also be pursued and met in the intersection of the algorithmic and hardware-aware aspects of scalable PDES engines. This report is aimed at capturing a computer science-oriented view of this important area of research in PDES, presenting a sample of important applications with their inherent discrete event technology elements. Needs are outlined in core areas of parallel discrete event research as well as cross-cutting directions in computer science research that positively impact scientific advancements across several important application areas. A selection of priority research opportunities in advanced computing for PDES is identified to serve as reference for key research topics and their order of importance for scientific advancements.

97 MATHEMATICS AND COMPUTING↗