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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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DOE OSTI2024

Milestone 49 Report: Batched Sparse LA Phase 5 Implementation

Batched sparse linear algebra operations in general, and solvers in particular, have become the major algorithmic development activity and foremost performance engineering effort in the numerical software libraries work on modern hardware with accelerators such as GPUs. Many applications, ECP and non-ECP alike, require simultaneous solutions of many small linear systems of equations that are structurally sparse in one form or another. In order to move towards high hardware utilization levels, it is important to provide these applications with appropriate interface designs to be both functionally efficient and performance portable and give full access to the appropriate batched sparse solvers running on modern hardware accelerators prevalent across DOE supercomputing sites since the inception of ECP. To this end, we present here a summary of recent advances on the interface designs in use by HPC software libraries supporting batched sparse linear algebra and the development of sparse batched kernel codes for solvers and preconditioners. We also address the potential interoperability opportunities to keep the corresponding software portable between the major hardware accelerators from AMD, Intel, and NVIDIA, while maintaining the appropriate disclosure levels conforming to the active NDA agreements. The presented interface specifications include a mix of batched band, sparse iterative, and sparse direct solvers with their accompanying functionality that is already required by the application codes or we anticipated to be needed in the near future. This report summarizes progress in Kokkos Kernels and the xSDK libraries MAGMA, Ginkgo, hypre, PETSc, and SuperLU.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Integration of Waveform Simulation Methods

The generation of synthetic seismograms through simulation is a fundamental tool of seismology required to run quantitative hypothesis tests. A variety of approaches have been developed throughout the seismological community and each has their own specific user interface based on their implementation. This causes a challenge to researchers who will need to learn new interfaces with each new software they wish to use and create substantial challenges when attempting to compare results from different tools. Here we provide a unified interface that facilitates interoperability amongst several simulation tools through a modern containerized Python package. Further, this package includes post-processing analysis modules designed to facilitate end-to-end analysis of synthetic seismograms. In this report we present the conceptual guidance and an example implementation of the new Waveform Simulation Framework.

58 GEOSCIENCES↗
DOE OSTI2023

Consequence Management Cobalt Magnet 2022 Laboratory Analysis: After Action Report

On May 16-20, 2022, federal mission partners (e.g., DOE Consequence Management, CDC, FDA, FBI, DHS) as well as integrated state, local, tribal, and territorial governments took part in Cobalt Magnet 22 (CM22), a large-scale, week-long radiological incident exercise in Austin, Texas, that linked several important national assets (National Search Program, Radiological Assistance Program, and Consequence Management [CM] personnel) into a single response effort. The exercise had nine (9) overarching Objectives and an additional 162 associated Critical Tasks for all the participating organizations. In total, 13 National Core Capabilities spanning 5 Mission Areas were represented in the final exercise. This exercise enabled a full range of capabilities to be fielded together and examine the operational connection between major assets, discover any resource shortages associated with conducting multiple mission areas simultaneously or in close succession, and identify any challenges related to leadership. This report summarizes nearly 100 successes and observations provided from players and controllers supporting the LA Division, Fly Away Laboratory (FAL) and Gamma Spectroscopist operations. The observations were categorized to align with the FRMAC programmatic functional areas to consider for future improvements: Logistics, CBRN Responder, Laboratory Analysis, Sampling and Monitoring, Health and Safety, Gamma Spectroscopist Operations, Fly Away Laboratory, and the FRMAC Interdivision Interoperability Group (FIIG).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Filling in Subsurface Storage Open Data Gaps - Updates to CCS Data Availability on EDX and EDX Spatial (FWP-1022465)

There is a need to preserve and efficiently access data resources to drive the next generation of research and development while ensuring compliance with DOE regulations. Over the last 10+ years, there has been ongoing efforts by the DOE Carbon Storage Program to ensure that there is effective data curation and preservation of DOE funded research leveraging the NETL-FECM data repository, the Energy Data eXchange (EDX). This talk presents updates about ongoing efforts to continue to support the mission of ensuring that carbon storage data is findable, accessible, interoperable, and reusable to the carbon storage stakeholder community through EDX and EDX Spatial. Presented at the NETL Carbon Management Review Meeting, Pittsburgh, 2024.

Morkner, Paige↗
DOE OSTI2024

Recommended Actions to Improve Adapter Safety

With the rapid advancement and acceleration in the electric vehicle (EV) industry within the United States, major automakers and EV charging companies are increasingly adopting the North American Charging Standard (NACS) connector style, now officially known as J3400. This shift is expected to enhance charging infrastructure, providing a better customer experience by making it easier for all EV drivers to access a wider network of direct-current (DC) fast chargers (DCFCs). However, the adoption of the J3400 standard presents challenges for many EVs already on the roads and some currently coming off production lines that are equipped with the Combined Charging System (CCS) connector, which this report will refer to as the North American standard, CCS1. These vehicles will need adapters to use new or existing J3400 infrastructure. During this transition, several issues have emerged. Firstly, there is a need to standardize the new connector type to ensure it is interoperable, safe, and reliable. Second, existing CCS EV drivers need a way to access the J3400 network, which will require electric vehicle supply equipment (EVSE) or sites with both connector types, driver-provided adapters to physically convert from CCS to J3400, or EVSE with retained adapters designed for use with the EVSE. Third, adapter standards will need to be written to specify how they will be designed and what evaluations will be needed to ensure safe and reliable performance. To address these challenges, adapters that support different types of charging connectors will be essential. These adapters will play a crucial role in supporting the transition and ensuring continued service for legacy EVs with CCS inlets as the J3400 standard becomes the predominant one in the United States. Consequently, the National Charging Experience (ChargeX) Consortium has investigated and performed a teardown analysis on the different adapter versions on the market. The aim is to create a failure mode and effects analysis (FMEA) on what are expected to be the most common adapter types used in this transition. In order to support this work, we executed an FMEA exercise with the main goal of identifying gaps in the existing adapters' performance and conformance to the most common safety requirements of high-power and high-voltage devices. This effort focused on adapters provided by the driver, as these may present the highest safety and reliability risks. The recommendations made here apply to both retained and driver-provided adapters.

25 ENERGY STORAGE↗
DOE OSTI2024

ChargeX Prescribed Testing Program at CharIN June 2024 Testival: Outcomes & Future Recommendations

In June 2024, the ChargeX Consortium developed an optional prescribed testing program for electric vehicle (EV) and electric vehicle supply equipment (EVSE) manufacturers that attended the CharIN Testival as testers. There were two driving purposes of this program; to introduce a new hybrid approach to testing events with both ad-hoc and prescribed testing offered, and to demonstrate the test cases and structure effectiveness of the EV-EVSE Interoperability Test Plan (EEITP) document developed within the ChargeX Testing Task Force. This program contained eight test scenarios to be performed during the final 30-minutes of a 90-minute testing slot with details like purpose, setup, pass criteria, etc. included within a written test plan document. A $2,000 rebate was offered to those who participated, and a ChargeX moderation force was present to collect EV and EVSE meta data, testing meta data, and testing results.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

S4PST: Sustainability for Programming Systems and Tools: May Workshop Report

The US Department of Energy (DOE) Exascale Computing Project (ECP) has fostered and strengthened the use of modern software engineering practices for developing applications and libraries, and this effort has resulted in the coordinated and interoperable E4S1 and xSDK2 ecosystems. Although this approach is cost-effective, it relies on robust programming systems and tools (PST) as the underlying foundation for our HPC software. At present, our primary PST stack consists of traditional high-performance computing (HPC) languages, namely Fortran, C, C++, and the popular Python language for data analysis and AI workflows. These languages support various programming frameworks and run-time abstractions that enable parallelism and concurrency across multiple node architectures and thousands of nodes through a variety of interconnect systems. However, to accommodate users’ diverse needs, certain aspects of the HPC ecosystem are delegated to vendor-specific or third-party implementations that extend beyond a particular scientific domain. This broader scope results in a multitude of specifications and variations, which leads to a complex orchestration of many-ecosystems. Unfortunately, this complexity in the ecosystem imposes additional overhead costs on consumers during the latter stages of the development cycle. In addition to the software ecosystem challenge, the upcoming conclusion of the ECP by December 2023 has raised significant concerns within the HPC programming systems community, from both the economic and social perspectives. The ECP has implemented a management structure for software development and funding decisions across all ECP participants by following a conventional hierarchical and centralized approach. However, this structure has prompted certain considerations within the community, particularly in anticipation of the Software Sustainability initiative by the DOE’s Advanced Scientific Computing Research Program (ASCR). For the success of this new initiative, it is of utmost importance to secure consistent funding and foster close engagement with researchers and core developers of existing programming-system products. This collaboration is vital to maintaining the critical capabilities of the current software during the transition phase while proactively adapting to future technology and workforce trends. The community recognizes the significance of adapting to emerging trends and is aware of the inherent fragility of the HPC software ecosystem, particularly in relation to programming systems that cater to all users. The ability to adapt and evolve is essential to staying relevant and effectively addressing these technical, economic, and social challenges. The S4PST team, which represents one of the six ASCR Software Sustainability seedling projects, is dedicated to tackling these challenges through community-based approaches that go beyond the scope of the DOE. This involves collaboration between national laboratories with academia, non-DOE institutions, hardware and system vendors, and international partners. By fostering these partnerships, we aim to create a robust and sustainable HPC software ecosystem that can effectively meet the needs of the community. This new community effort, driven by the eight DOE labs, will take on the responsibility of guiding funding decisions for programming-systems development and maintenance with transparency and consistency across all decisions. Additionally, the team will offer common technical services to the programming systems community, irrespective of their funding situations, and facilitate community-wide incubation to proactively nurture the software ecosystem. By actively engaging with stakeholders and employing a collaborative approach, we can collectively shape the future of programming systems and ensure a robust and thriving HPC software landscape. On May 11–12, 2023, the S4PST team conducted its inaugural kick-off workshop at the Innovative Computing Laboratory (ICL) in the University of Tennessee, Knoxville, hosted by Hartwig Anzt. The workshop encompassed various sessions dedicated to presentations and discussions, with the aim of comprehending the team members’ perspectives on the vision of software sustainability. Additionally, the workshop aimed to identify the technical, economic, and social requirements for sustaining the programming-systems community in the field of HPC. This report provides a summary of the S4PST effort by highlighting five major thrust areas discussed during the workshop: (i) community, (ii) technical support, (iii) training and diversity, (iv) verification, validation and correctness, and (v) emerging technologies. It also encompasses an overview of the presentations and discussions held throughout the event, our views and potential synergies with other seedling efforts, along with the outcomes and key takeaways from our initial discussions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Cyber Resilience and Social Equity: Twin Pillars of a Sustainable Energy Future

This paper examines the intersection of security and accessibility within energy systems amidst the rise of grid modernization and digitization, especially considering the regulatory changes and the imperatives of inclusive energy strategies. It addresses the dual need for secure, resilient infrastructure and a commitment to mitigate energy poverty while maintaining equitable access to energy. Amid escalating cybersecurity and physical threats, the paper advocates for sustainable energy delivery systems that ensure robust defenses without compromising the goals of reducing energy poverty and ensuring energy security. This paper identifies the pressing need for Cyber-Informed Engineering (CIE) and Secure-by-Design (SbD) principles, highlighting how these strategies can protect critical infrastructure and democratize access to secure energy, particularly for disadvantaged communities. The analysis underscores the challenges presented by the expansion of attack surfaces, interoperability requirements, and grid-edge analytics, offering innovative solutions that leverage advanced technologies and data-driven insights. Furthermore, this paper addresses the workforce development gap, emphasizing the necessity for public-private partnerships and vendor engagement in creating a skilled cybersecurity workforce. This paper has a dual focus on both the technological aspect of cybersecurity and the social dimension of equity within the context of sustainable energy development. It suggests a comprehensive examination of how these two critical elements interact and support the overarching goal of a sustainable energy future.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

From Silos to Synergy: Identifying a Roadmap for Cross-Sector Research to Accelerate the Clean Energy Transition

The U.S. Department of Energy's blueprints for the transportation, buildings, and electricity sectors call for substantial reductions in greenhouse gas (GHG) emissions by 2050. These plans focus on zero-emission vehicles, investments in transit, energy-efficient buildings, and the widespread adoption and deployment of renewable energy technologies like solar photovoltaics (PV), energy storage and energy-efficient appliances. However, these sectors are often studied and modeled in isolation, overlooking how household decisions to adopt clean technologies in one sector influence others. This study, led by an interdisciplinary team at the National Renewable Energy Laboratory (NREL), explores opportunities for cross-sector collaboration to drive more effective and equitable decarbonization. Through discussions with 22 NREL researchers across transportation, building, solar, and grid sectors, the study highlights the need for integrated tools and models that capture interactions between these sectors. Key insights include the need for data standardization and interoperability to enable cross-sector analysis and decision-making. Strengthening utility partnerships is also critical to align energy policies with decarbonization goals and manage the increased demand for renewable energy. The study also emphasizes the importance of equity in the clean energy transition, calling for targeted incentives and support to ensure that low-income and underserved communities benefit from clean technologies like electric vehicles and energy-efficient appliances. To support these efforts, innovative funding mechanisms must be expanded to facilitate interdisciplinary research, such as city-specific decarbonization plans and federal projects like DOE"s Standard Scenarios. By encouraging collaboration and integrating cross-sector insights, this study aims to provide a roadmap to accelerate the clean energy transition and ensure it is both sustainable and inclusive.

14 SOLAR ENERGY↗
DOE OSTI2024

Curating Carbon Storage Data for Reuse: Enabling Research and Modeling from Earth’s Surface to Subsurface

The volume of public geologic carbon storage (GCS) data resources has continued to increase in recent years as the result of an increase in funding from government, industry, and academia towards national, basin, regional and field scale studies to ensure carbon capture and storage becomes a commercially viable operation. Despite the increasing volume of data, GCS data applied towards analyses such as geologic, cost, and risk modeling continues to be multi-sourced and often disparate in nature, published across government agencies, websites, data repositories and buried in derivative reports and documents. Much of the time preparing for an analysis and derivative product development is spent collecting, aggregating, transforming and preparing input data. There have been significant efforts within the DOE National Energy Technology Laboratory’s Carbon Storage Program to optimize multi-source, multi-scale subsurface geologic data curation and aggregation to support data discovery, interoperability, and reuse. Methods include the use of artificial intelligence, machine learning, and data science techniques. This talk will discuss the workflows, best practices, and processes developed to support the aggregation and curation of data through the whole system – surface to subsurface data - that support multi-scale, multi-purpose analysis for carbon storage research.

Morkner, Paige↗
DOE OSTI2024

AIR Framework for Physics-Inspired Artificial Intelligence in High Energy Physics (Final Report)

The FAIR4HEP project was a collaboration between Argonne National Laboratory, University of Illinois Urbana-Champaign, Massachusetts Institute of Technology, University of Minnesota, and the University of California San Diego funded by the US Department of Energy, Office of Science, Office of Advanced Scientific Research (ASCR) from 2020 to 2023. The primary focus of the FAIR4HEP project was to advance our understanding of the relationship between data and artificial intelligence (AI) models by exploring relationships among them through the development of findable, accessible, interoperable, and reusable (FAIR) frameworks. Using high-energy physics (HEP) as the science driver, this project developed a FAIR framework to advance our understanding of AI, provide new insights to apply AI techniques and provide an environment where novel approaches to AI can be explored. This final report summarizes the accomplishments of the MIT group.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Position Papers for the 2024 ASCR Workshop on Energy-Efficient Computing for Science

On behalf of the Advanced Scientific Computing Research (ASCR) program in the US Department of Energy (DOE) Office of Science, we are organizing a Workshop on Energy-Efficient Computing for Science (EECS). Energy efficiency involves coordination across all the interoperating components of a computing system—in particular, applications, algorithms, system software, programming models, data management, and the hardware on which they run. Looking 10-15 years into the future, the goal is to dramatically lower the energy costs of the computational platforms (from the data center to the edge) serving DOE science while expanding the capabilities of these systems, broadening their applicability to science challenges of interest to DOE and the nation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

FAIR Framework for Physics-Inspired Artificial Intelligence in High Energy Physics (Final Report)

The FAIR4HEP project was a collaboration between Argonne National Laboratory, University of Illinois Urbana-Champaign, Massachusetts Institute of Technology, University of Minnesota, and University of California San Diego funded by the US Department of Energy, Office of Science, Office of Advanced Scientific Research (ASCR) from 2020 to 2024. The primary focus of the FAIR4HEP project was to advance our understanding of the relationship between data and artificial intelligence (AI) models by exploring relationships among them through the development of findable, accessible, interoperable, and reusable (FAIR) frameworks. Using high-energy physics (HEP) as the science driver, this project developed a FAIR framework to advance our understanding of AI, provide new insights to apply AI techniques, and provide an environment where novel approaches to AI can be explored. This final report summarizes the accomplishments of the University of Illinois group.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Misalignment Tolerant Three-phase Wireless Fast Charging System for Electric Vehicles

This project proposes improving the technology level of the three-phase wireless charging technology developed at Oak Ridge National Laboratory (ORNL). Successful commercialization of wireless charging systems require that they meet strict safety standards for electromagnetic field emissions and interoperability with other wireless charging technology. ORNL has previously demonstrated a 50kW three-phase wireless power transfer system with 95% efficiency. This prototype system weighed less than 50% of similar high-power wireless charging system while simultaneously exhibiting better safety characteristics. Due to better material utilization, the reduction in mass is expected to translate into similar cost reduction for the magnetic coupler. Additionally, the smaller footprint of the system can ease vehicle integration difficulties that would be encountered using other technology. Furthermore, the three-phase design can be made to operate with existing single-phase coupler design more easily and without intentional physical misalignment which would otherwise pose safety issues.This project developed ORNL’s WPT technology to satisfy the specifications and requirements for electric vehicle (EV) charging. The result of the project will be a prototype and reference design for a high-power wireless charging system—including magnetics, power electronics, and controls—serving as a baseline for product development.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Developing an oxidation materials ontology for data-driven materials design

Materials data is complex, and managing and storing materials data for use and reuse is a common challenge. An ontology-based data management framework can address these challenges through encoding data attributes and relationships in a flexible way. This presentation discusses the creation of an ontology for alloy oxidation test data and reviews the logic, structure and interoperability of the ontology.

advanced alloy development↗
DOE OSTI2025

Multiscale Nuclear-Electronic Orbital Quantum Dynamics in Complex Environments

Many renewable energy conversion processes rely on the movement of protons as well as electrons through either electrocatalysis or photoexcitation. The simulation of such processes requires a quantum mechanical description of coupled nuclear-electronic dynamics in a solvent or heterogeneous chemical environment. The overall objective of this project is the development of theoretical and computational capabilities for simulating nuclear-electronic quantum dynamics in complex environments and the creation of high-performance, open-source software. This multiscale framework will enable simulations of the real-time dynamics of nonequilibrium excited state proton-coupled electron transfer, quantum decoherence, vibronic energy transfer, and ultrafast radiolysis, as well as their associated time-resolved multidimensional spectroscopies. An important outcome of this project will be a sustainable, reusable, and interoperable open-source software ecosystem. This software will be designed for emerging exascale and future national leadership computers. Another key outcome will be a multiscale quantum dynamics method and software enabling simulations of nonequilibrium nuclear-electronic quantum dynamics in complex environments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

OpenFacadeControl: enabling integration of automated facades with other building systems

Automated facades are, for the most part, still considered as separate from other building systems throughout the design, installation, commissioning, operation, and maintenance cycle. This takes place despite the fact that their energy and comfort performance are deeply interlinked with the operation of lighting and HVAC systems. Over the last two decades, research has shown that there are significant advantages from operating facades as an integrated system with the rest of the building. Nevertheless, significant barriers prevent this type of integration becoming more common. One of them is the lack of a platform that is inexpensive to implement and that easily allows the practical implementation of integrated control algorithms across fenestration and other building systems, using a variety of communications protocols. This is particularly challenging when automated facades are installed in existing buildings, where interaction with legacy building systems that were installed over the past lifetime of the building can require a high degree of interoperability. OpenFacadeControl (OFC) is an open-source controls framework aimed at unified control of facades and other building systems, including the sharing of third-party sensor information. Through leveraging the Volttron controls platform, it allows the integration of systems and sensors that are manufactured by different companies and that use different communications protocols into an ensemble that functions as a single system. OFC is designed to enable integrated control algorithms of varying degrees of complexity, ranging from simple, heuristic controls to more sophisticated approaches like model-predictive control. Use of a research version to test advanced lighting and shading strategies in a full-scale experimental testbed has demonstrated the ease of deploying advanced control solutions using OpenFacadeControl. This paper presents the structure of OpenFacadeControl and a demonstration case showing the use of OFC in laboratory tests of advanced lighting and fenestration controls that coordinated motorized shades communicating via the BACnet building communications standard and lights communicating via internet-protocol-based application programming interface (API), based on the readings of a shared light level sensor communicating via a different API.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Misalignment Tolerant Three-phase Wireless Fast Charging System for Electric Vehicles

This project proposes improving the technology level of the three-phase wireless charging technology developed at Oak Ridge National Laboratory (ORNL). Successful commercialization of wireless charging systems require that they meet strict safety standards for electromagnetic field emissions and interoperability with other wireless charging technology. ORNL has previously demonstrated a 50kW three-phase wireless power transfer system with 95% efficiency. This prototype system weighed less than 50% of similar high-power wireless charging system while simultaneously exhibiting better safety characteristics. Due to better material utilization, the reduction in mass is expected to translate into similar cost reduction for the magnetic coupler. Additionally, the smaller footprint of the system can ease vehicle integration difficulties that would be encountered using other technology. Furthermore, the three-phase design can be made to operate with existing single-phase coupler design more easily and without intentional physical misalignment which would otherwise pose safety issues. This project developed ORNL’s WPT technology to satisfy the specifications and requirements for electric vehicle (EV) charging. The result of the project will be a prototype and reference design for a high-power wireless charging system—including magnetics, power electronics, and controls—serving as a baseline for product development.

33 ADVANCED PROPULSION SYSTEMS↗