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DOE OSTI2024

Web-Based Weatherization Assistant Getting Started Guide

This guide provides introductory information on how to get started in using the web-based Weatherization Assistant audit tool and running the National Energy Audit Tool, Manufactured Home Energy Audit, Multifamily Tool for Energy Audits, and Health and Safety Audit. For new users, this guideline also outlines how you can create a client and start an audit for that client. The Weatherization Assistant is a family of advanced audit tools designed specifically to help states and local weatherization agencies implement the US Department of Energy (DOE) Weatherization Assistance Program. The Weatherization Assistant is developed and maintained by DOE’s Oak Ridge National Laboratory (ORNL). It applies engineering and economic calculations to assist states and agencies in selecting energy-efficient retrofit measures that meet government criteria for cost effectiveness and that can be installed in homes of low-income families enrolled in the program. The Weatherization Assistant can be used to select and rank measures for individual houses, or to establish a priority list of weatherization measures for nearly identical housing types.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2023

Software Defined Architectures for Portability and Performance

The Software Defined Architectures for Portability and Performance (SODAPOP) project developed a co-design framework to partition and map converged applications on specialized heterogeneous architectures. We started from key domain applications that combine scientific simulation with data analytics and machine learning as drivers to integrate our framework. The framework includes high-level compilers that interfaces with high-level programming frameworks, domain-specific optimization passes, and hardware-oriented optimizations. The framework leverages hardware generators to enable specialization and facilitate exploration of custom system designs.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

PETSc/TAO Users Manual (Rev. 3.19)

This manual describes the use of the Portable, Extensible Toolkit for Scientific Computation (PETSc) and the Toolkit for Advanced Optimization (TAO) for the numerical solution of partial differential equations and related problems on high-performance computers. PETSc/TAO is a suite of data structures and routines that provide the building blocks for the implementation of large-scale application codes on parallel (and serial) computers. PETSc uses the MPI standard for all distributed memory communication. PETSc/TAO includes a large suite of parallel linear solvers, nonlinear solvers, time integrators, and opti mization that may be used in application codes written in Fortran, C, C++, and Python (via petsc4py; see Getting Started). PETSc provides many of the mechanisms needed within parallel application codes, such as parallel matrix and vector assembly routines. The library is organized hierarchically, enabling users to employ the level of abstraction that is most appropriate for a particular problem. By using techniques of object-oriented programming, PETSc provides enormous flexibility for users. PETSc is a sophisticated set of software tools; as such, for some users it initially has a much steeper learning curve than packages such as MATLAB or a simple subroutine library. In particular, for individuals without some computer science background, experience programming in C, C++, python, or Fortran and experience using a debugger such as gdb or lldb, it may require a significant amount of time to take full advantage of the features that enable efficient software use. However, the power of the PETSc design and the algorithms it incorporates may make the efficient implementation of many application codes simpler than “rolling them” yourself. For many tasks a package such as MATLAB is often the best tool; PETSc is not intended for the classes of problems for which effective MATLAB code can be written. There are several packages, built on PETSc, that may satisfy your needs without requiring directly using PETSc. We recommend reviewing these packages functionality before starting to code directly with PETSc. PETSc can be used to provide a “MPI parallel linear solver” in an otherwise sequential, or OpenMP parallel code. This approach cannot provide extremely large improvements in the application time by utilizing large numbers of MPI processes but can still improve the performance. Certainly all parts of a previously sequential code need not be parallelized but the matrix generation portion must be parallelized to expect true scalability to large numbers of MPI processes. See PCMPI for details on how to utilize the PETSc MPI linear solver server. Since PETSc is under continued development, small changes in usage and calling sequences of routines will occur. PETSc has been supported for twenty-five years; see mailing list information on our website for information on contacting support.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

MICROREACTOR APPLICATIONS, RESEARCH, VALIDATION, AND EVALUATION (MARVEL) REACTOR ? STATUS, CONSTRUCTION, AND TESTING

The paper presents the current status of the Microreactor Applications, Research, Validation, and Evaluation (MARVEL) microreactor design, qualification testing, fabrication, and high-level construction schedule. An overview of initial criticality, low power physics testing, and start-up testing is included, as well as an overview of the envisioned processes in which end-users can engage the project for access to operational data or specific demonstrations. Designed by the Idaho National Laboratory (INL) under the auspices of the US Department of Energy’s Microreactor Program for construction and operation at the INL, MARVEL is a small, fully functional advanced reactor with UZrH fuel and thermal output of 85 kW. It offers a unique opportunity for scaled demonstrations that can dramatically accelerate the design, licensing, and deployment of commercial microreactors for power production or process heat applications. MARVEL’s objective is to build a small liquid-metal thermal reactor at the INL to demonstrate design and operating processes for microreactors, microgrid integration, and process heat applications. MARVEL finished 90%-final-design in September 2023 and completed an independent project assessment in early 2024. Fabrication of long-lead components and fuel, safety analysis review, and procurement for construction are underway. MARVEL assembly and construction will start in 2025 and fuel loading is expected in mid- 2027. Initial criticality will be performed in a dry condition in late 2027, followed by loading of NaK coolant and start-up testing. Approximately six months later, release for unrestricted operations will enable subsequent testing of microreactor characteristics, microgrid integration and select heat extraction applications.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Detector Simulation Challenges for Future Accelerator Experiments

Detector simulation is a key component for studies on prospective future high-energy colliders, the design, optimization, testing and operation of particle physics experiments, and the analysis of the data collected to perform physics measurements. This review starts from the current state of the art technology applied to detector simulation in high-energy physics and elaborates on the evolution of software tools developed to address the challenges posed by future accelerator programs beyond the HL-LHC era, into the 2030–2050 period. New accelerator, detector, and computing technologies set the stage for an exercise in how detector simulation will serve the needs of the high-energy physics programs of the mid 21st century, and its potential impact on other research domains.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Paired Hydro-Battery Hybrid System Operations Using MIQP Based Multi-Objective Optimization

Hybridizing a hydropower plant with a battery energy storage system is often a very expensive decision. So to make the case for feasibility of hybridization the cost benefit analysis must be comprehensive. Most literature found on this subject only uses one out of many different available value streams to carry out a feasibility analysis. To that end, in this study we propose a multi-objective optimization formulation and a mixed-integer quadratic programming optimization engine that considers multiple different value streams and optimizes hydro-battery hybrid system paired operations to maximize revenue generated from energy arbitrage while simultaneously minimizing the total hydro turbine mileage thus reducing turbine starts and stops and improving turbines life all while following all environmental constraints and not violating any limitations either regulatory or preferential (i.e., to support recreational activities like white water rafting, etc.). In this study we also implemented the developed optimization methodology to a real-world case study of Bagnell dam hydropower facility (8 units totaling 240 MW rated power capacity) which is owned and operated by our industry partner Ameren Energy Inc. The case study outcomes shows that by hybridizing the Bagnell dam hydropower facility with a 60 MW x 2-hr battery energy storage system, the annual benefits can be increased over \$6 million while reducing the annual mileage averaged per turbine and number of start/stops by over 98\% and 85\% respectively.

Chalishazar, Vishvas H.↗

DOE OSTI2022

Methods for Computing Physically Realistic Estimates of Electric Water Heater Demand Response Resource Suitable for Bulk Power System Planning Models

Demand response is commonly called on to reduce load during system peak times or to respond to contingency events. In future power systems with higher shares of wind and solar generation (which we describe together as variable generation [VG]), demand response could have more opportunities to provide energy shifting or operating reserve services. This report evaluates the ability of residential electric water heaters, both electric resistance water heaters (ERWHs) and heat pump water heaters (HPWHs), to provide such services starting from detailed whole-building energy models that realistically represent New England single family home stock. We use a parsimonious surrogate model to represent operational flexibility in a form suitable for linear and mixed integer programming. This enables relatively fast determination of aggregate contingency reserve resource, price-taking energy shifting outcomes, and in some cases the determination of aggregate models at the megawatt (MW) scale that can be directly included in large-scale grid models. After selecting modeling methods and parameters through various computational experiments, we find interquartile ranges of contingency reserve resource in ISO-NE for about 603,400 ERWHs of 45 MW - 69 MW for Claim10 (50 minute responses provided with 10 minutes of advanced notification) and 65 MW - 102 MW for Claim30 (30 minute responses provided with 30 minutes of advanced notification), and for about 619,000 HPWHs of 48 MW - 88 MW for Claim10 and 52 MW - 90 MW for Claim30. The overall reserve resource is up to 32% of total load for ERWHs providing Claim10 service, 47% for ERWHs providing Claim30 service, 93% for HPWHs providing Claim10 service, and 97% for HPWHs providing Claim30 service. More work is required to determine if HPWHs are inherently more suitable than ERWHs for providing contingency reserve or if these results reflect idiosyncrasies of the single family home stock model used in this study. The value of this contingency resource in a Near-term VG model of ISO-NE is $\$ 0.40$ to $\$1.20$ per water heater-year, and significantly larger, $\$ 3.80$ to $\$ 5.30$ per water heater-year in a Mid-term VG model of ISONE. Aggregating surrogate models to the MW-scale for energy shifting service is more challenging than for contingency service and we only present such results for ERWHs, because we were unable to determine satisfactory ways to deal with HPWHs' time-varying and path dependent operational characteristics. Individual surrogate models suitable for evaluating the energy shifting resource from both ERWHs and HPWHs are created, however, and dispatched against day-ahead prices from the Near-Term VG and Mid-Term VG models of ISO-NE. The individual surrogate models are able to access and potentially shift all 640 GWh of HPWH load and 1,547 GWh of ERWH load we modeled in two different single family home stock models. In contrast, the most effective model of aggregate ERWH shifting resource we created only captured 34.7% of the total ERWH load. Energy shifting affected by price-taking dispatch against modeled day-ahead energy prices produces per water heater year profits of $\$19.44$ - $\$22.93$ for individual HPWHs, $\$39.11$ - $\$40.54$ for individual ERWHs, and up to $\$4.00$ - $\$4.24$ for aggregated ERWHs, with the variations mainly due to grid conditions (more or less VG). When the supply-side response to these changes is accounted for, the per water heater year production cost savings for ISO-NE are $\$7.50$ to $\$17.70$ for the most effective set of endogenously dispatched aggregate ERWHs, $\$15.60$ to $\$15.70$ for individual ERWHs dispatched against the DA prices, and $\$10.70$ to $\$11.20$ for individual HPWHs dispatched against DA prices. Those ranges primarily represent the difference between Near-Term VG and Mid-Term VG grid conditions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2024

Submitting a Standard Compliance Annual Report: EPAct State and Alternative Fuel Provider Fleet Program User Guide

State government and alternative fuel provider fleets covered under the State and Alternative Fuel Provider Fleet Program (Program) established pursuant to the Energy Policy Act of 1992 (EPAct) may use the Compliance Reporting Tool to track and report on several compliance activities. These activities include, but are not limited to, completing Standard Compliance annual reports, Alternative Compliance notices of intent, and exemption requests. Covered fleets can access the Compliance Tool through the Program's website at https://epact.energy.gov/users/sign_in. Covered fleet points of contact should bookmark the Compliance Reporting Tool for future access. This user guide addresses how to complete and submit Standard Compliance annual reports, including getting started with reporting, submitting annual reports, submitting exemption requests, and viewing annual reports.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2021

Effect of Diel Cycling Temperature, Relative Humidity, and Synthetic Route on the Surface Morphology and Hydrolysis of α -U 3 O 8

The speciation and morphological changes of α-U 3 O 8 following aging under diel cycling temperature and relative humidity (RH) have been examined. This work advances the knowledge of U-oxide hydration as a result of synthetic route and environmental conditions, ultimately giving novel insight into nuclear material provenance. α-U 3 O 8 was synthesized via the washed uranyl peroxide (UO 4 ) and ammonium uranyl carbonate (AUC) synthetic routes to produce unaged starting materials with different morphologies. α-U 3 O 8 from UO 4 is comprised of subrounded particles, while α-U 3 O 8 from AUC contains blocky, porous particles approximately an order of magnitude larger than particles from UO 4 . For aging, a humidity chamber was programmed for continuous daily cycles of 12 “high” hours of 45 °C and 90% RH, and 12 “low” hours of 25 °C and 20% RH. Samples were analyzed at varying intervals of 14, 24, 36, 43, and 54 days. At each aging interval, crystallographic changes were measured via powder X-ray diffraction coupled with whole pattern fitting for quantitative analysis. Morphologic effects were studied via scanning electron microscopy and 12-way classification via machine learning. While all samples were found to have distinguishing morphologic characteristics (93.2% classification accuracy), α-U 3 O 8 from UO 4 had more apparent change with increasing aging time. Nonetheless, α-U 3 O 8 from AUC was found to hydrate more quickly than α-U 3 O 8 from UO 4 , which can likely be attributed to its larger surface area and porous starting material morphology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

$\mathcal{R}$ -matrix analysis of η + nat Cl reactions relevant to molten-salt reactor designs [Abstract]

Performed with support from the U.S. Nuclear Criticality Safety Program in an effort to provide improved chlorine cross section and corresponding covariance data, the R-matrix analysis of neutron induced reactions for two stable chlorine isotopes, 35,37 Cl, was performed in the energy range of thermal up to 1.2 MeV. Starting from the repository of the ENDF/B-VIII.0 library and following recent measurement campaigns, this work represents a significant improvement in the evaluation of the ( η , p ) reaction channel. The evaluation methodology uses the $\mathcal{R}$ -matrix code SAMMY to generate a set of Reich-Moore resonance parameters. As predicted by recently measured 35 Cl( η , p ) data, the presented evaluation features a dramatic increase in the magnitude of the ( η , p ) reaction channel over the ENDF/B-VIII.0 and previous nuclear data ENDF/B released libraries. Together with details of the evaluation procedure, the impact of the updates in the outgoing proton emissions on reactivity coefficients for different molten-salt reactor designs is presented and discussed.

charged-particle↗

DOE OSTI2023

R-matrix Resolved Resonance Region Evaluation of 140,142 Ce

Oak Ridge National Laboratory completed the resolved resonance region (RRR) evaluation of the two most abundant cerium isotopes, 140 Ce (88.45%) and 142 Ce (11.11%), as requested by the US Nuclear Criticality Safety Program. These evaluations are based on recent high-resolution transmission and capture measurements performed on nat Ce and highly enriched 142 Ce samples at the JRC-Geel Linear Accelerator facility, as well as measured thermal constants available from the EXFOR database. Starting from the resonance parameters of the ENDF/B-VIII.0 library followed by a preliminary R-matrix analysis, an updated set of resonance parameters and corresponding covariance information were derived by fitting these measured data using the Reich–Moore approximation of the R -matrix theory, as implemented in the SAMMY code system. The 140 Ce RRR upper energy limit was kept at 200 keV, whereas the 142 Ce resonance region was extended from 13 to 26 keV. Updated statistical properties were obtained for the new evaluations and compared to those derived from the ENDF/B-VIII.0 nuclear data library. The new evaluation work improved some of the discrepancies found in previous work, such as the capture resonance integral and stellar Maxwellian-averaged cross sections. These integral quantities were mainly derived from the fit of the latest measured data, especially the neutron capture yield data for 142 Ce isotope.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2026

Q-IRIS: The Evolution of the IRIS Task-Based Runtime to Enable Classical-Quantum Workflows

Extreme heterogeneity in emerging HPC systems are starting to include quantum accelerators, motivating runtimes that can coordinate between classical and quantum workloads. We present a proof-of-concept hybrid execution framework integrating the IRIS asynchronous task-based runtime with the XACC quantum programming framework via the Quantum Intermediate Representation Execution Engine (QIR-EE). IRIS orchestrates multiple programs written in the quantum intermediate representation (QIR) across heterogeneous backends (including multiple quantum simulators), enabling concurrent execution of classical and quantum tasks. Although not a performance study, we report measurable outcomes through the successful asynchronous scheduling and execution of multiple quantum workloads. To illustrate practical runtime implications, we decompose a four-qubit circuit into smaller subcircuits through a process known as quantum circuit cutting, reducing per-task quantum simulation load and demonstrating how task granularity can improve simulator throughput and reduce queueing behavior -- effects directly relevant to early quantum hardware environments. We conclude by outlining key challenges for scaling hybrid runtimes, including coordinated scheduling, classical-quantum interaction management, and support for diverse backend resources in heterogeneous systems.

Miniskar, Narasinga Rao [ORNL] (ORCID:000000018259↗

DOE OSTI2025

RTN-107: The Rubin Observatory Target-of-Opportunity Mock Data Challenge

We describe the activities of the Target-of-Opportunity mock data challenge, taking place from Sep 22 2025 - Oct 18 2025. We center this activity in four questions that are critical for maximizing the scientific output of the ToO system: (1) How quickly can Rubin Observatory start observing after a ToO alert is received? (2) How efficient is Rubin Observatory at recovering the host of a ToO event? (3) How accurate are the observing strategies that the community has created for the ToO program? (4) How can expert ToO scientists interact effectively with the ToO system, where many processes are fully automated? In this challenge, and the report summarized herein, we aim to answer the aforementioned questions to better the Rubin ToO program.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

The Distributed Energy Resource Cybersecurity Framework

For facilities with distributed energy resources (DERs), cybersecurity must be considered holistically, across system architectures and down to individual components. It's hard to know where to start. That's why the National Renewable Energy Laboratory (NREL) has developed an assessment tool for organizations with DERs to understand and improve their cybersecurity. With support from the U.S. Department of Energy's Federal Energy Management Program, the Distributed Energy Resource Cybersecurity Framework (DER-CF) provides a holistic evaluation of a facility's DER cybersecurity and makes customized recommendations that follow widely recognized best practices for cybersecurity. The DER-CF is available at no cost as an interactive web tool (dercf.nrel.gov).

cybersecurity↗

DOE OSTI2024

GeoBridge: Connecting Communities to Geothermal Information and Opportunities: Preprint

The geothermal community is well established with long-standing events, organizations, and tools that are known across the geothermal community. But many of these tools and resources are located behind pay walls, require memberships, or are otherwise difficult to find, especially for people looking to join the geothermal community. These barriers to access can prevent outsiders from discovering valuable geothermal resources, limiting the geothermal community's potential for collaboration with other communities, such as clean energy entrepreneurs looking to expand into geothermal energy. The Department of Energy's (DOE) GeoBridge serves to bring these communities together by acting as a single, publicly accessible, searchable portal that facilitates easy access to available geothermal knowledge and information. It works to expand and diversify the pool of geothermal stakeholders by providing in-roads to geothermal information and community resources. It helps build a stronger geothermal community; one inclusive of individuals and groups from a variety of different backgrounds, including potential investors and start-up companies looking to accelerate innovation in geothermal technologies. By linking communities to geothermal information, analysis and expertise, GeoBridge serves as a launch point, directing interested parties to existing data and tools, events, educational resources, STEM programs, permitting and regulatory information, and other resources that can be used to evaluate, promote, and discover geothermal opportunities.

access↗

DOE OSTI2025

GeoBridge: Connecting Communities to Geothermal Information and Opportunities

access↗

DOE OSTI2024

Flexible Perovskite-Perovskite PV for Mobile Power Applications (Final Technical Report)

14 SOLAR ENERGY↗

DOE OSTI2024

Business Opportunities in Clean Energy Supply Chains: Guidebook for Small and Medium-Sized Automotive Suppliers

This is the final report for the referenced TCF award which ran from Oct. 2019 through Jan. 2024 in conjunction with the industry partner Swift Solar. The long duration of the program was due to several factors including the pandemic and a technical work stoppage due to changes in the scope. Additionally, Swift’s business focus shifted during the course of the program. As a result of these factors, this program underwent two distinct modifications that dramatically changed the work scope. The following report is organized into three separate sections, each of which addresses a distinct work scope. Those scope changes, what necessitated them, and any new tasks/milestones are given, briefly, at the top of each section. The work performed was research on the hybrid halide perovskites (HHP), both the absorber material itself as well as other material layers that are required in a full device stack. At the start of the period of performance, there were two distinct challenges that we sought to address: (1) a wide band gap absorber (>1.6 eV), and (2) a recombination layer for tandem devices that provided good sequestration of the individual cell absorber materials in their respective device layers. NREL had previously published, and patented, advancements in both of these areas and they were the focus of much of the work throughout the program. The auto manufacturing space is evolving quickly. Sales of various electrified vehicles (xEVs) continue to grow steadily, which has medium to long-term ramifications for the thousands of U.S. manufacturers and hundreds of thousands of workers that contribute to the domestic automotive supply chain. In tandem with this growth in xEV sales, domestic clean energy manufacturing is surging (both for the xEV supply chain and other technologies), with public incentives spurring billions in private sector investment. Moreover, the next 2–3 years will see new and expanded industrial facilities come online to make products like hydrogen electrolyzers, solar panels, batteries, advanced electronics—and will create new supply chain needs and business opportunities as they do. DOE’s Office of Manufacturing and Energy Supply Chains (MESC) and Argonne National Laboratory developed this report to help automotive manufacturers—alongside various business support partners— understand these trends and their response options, and to make the most of current federal assistance programs for manufacturers. These market changes may create opportunities for small- and medium-sized manufacturers (SMMs) to expand production, grow profit margins, and diversify their businesses. For instance, SMMs could take advantage of engineering and process design similarities with new end-use industries that might enable greater business growth and stability as markets continue to change.

14 SOLAR ENERGY↗