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DOE OSTI2025

Tools for unbinned unfolding

Machine learning has enabled differential cross section measurements that are not discretized. Going beyond the traditional histogram-based paradigm, these unbinned unfolding methods are rapidly being integrated into experimental workflows. Here, in order to enable widespread adaptation and standardization, we develop methods, benchmarks, and software for unbinned unfolding. For methodology, we demonstrate the utility of boosted decision trees for unfolding with a relatively small number of high-level features. This complements state-of-the-art deep learning models capable of unfolding the full phase space. To benchmark unbinned unfolding methods, we develop an extension of existing dataset to include acceptance effects, a necessary challenge for real measurements. Additionally, we directly compare binned and unbinned methods using discretized inputs for the latter in order to control for the binning itself. Lastly, we have assembled two software packages for the OmniFold unbinned unfolding method that should serve as the starting point for any future analyses using this technique. One package is based on the widely-used RooUnfold framework and the other is a standalone package available through the Python Package Index (PyPI).

47 OTHER INSTRUMENTATION↗

DOE OSTI2023

Effect of Temperature on Thrombogenicity Testing of Biomaterials in an In Vitro Dynamic Flow Loop System

To develop and standardize a reliable in vitro dynamic thrombogenicity test protocol, the key test parameters that could impact thrombus formation need to be investigated and understood. In this study, we evaluated the effect of temperature on the thrombogenic responses (thrombus surface coverage, thrombus weight, and platelet count reduction) of various materials using an in vitro blood flow loop test system. Whole blood from live sheep and cow donors was used to assess four materials with varying thrombogenic potentials: negative-control polytetrafluoroethylene (PTFE), positive-control latex, silicone, and high-density polyethylene (HDPE). Blood, heparinized to a donor-specific concentration, was recirculated through a polyvinyl chloride tubing loop containing the test material at room temperature (22–24°C) for 1 hour, or at 37°C for 1 or 2 hours. The flow loop system could effectively differentiate a thrombogenic material (latex) from the other materials for both test temperatures and blood species ( p < 0.05). However, compared with 37°C, testing at room temperature appeared to have slightly better sensitivity in differentiating silicone (intermediate thrombogenic potential) from the relatively thromboresistant materials (PTFE and HDPE, p < 0.05). These data suggest that testing at room temperature may be a viable option for dynamic thrombogenicity assessment of biomaterials and medical devices.

Engineering↗

DOE OSTI2021

Investigating high-energy proton-induced reactions on spherical nuclei: Implications for the preequilibrium exciton model

A number of accelerator-based isotope production facilities utilize $100-200$ MeV proton beams due to the high production rates enabled by high-intensity beam capabilities and the greater diversity of isotope production brought on by the long range of high-energy protons. However, nuclear reaction modeling at these energies can be challenging because of the interplay between different reaction modes and a lack of existing guiding cross section data. A Tri-lab collaboration has been formed between the Lawrence Berkeley, Los Alamos, and Brookhaven National Laboratories to address these complexities by characterizing charged-particle nuclear reactions relevant to the production of established and novel radioisotopes. In the inaugural collaboration experiments, stacked-targets of niobium foils were irradiated at the Brookhaven Linac Isotope Producer ($E_p=200$ MeV) and the Los Alamos Isotope Production Facility ($E_p=100$ MeV) to measure $^{93}$Nb(p,x) cross sections between $50-200$ MeV. The results were compared with literature data as well as the default calculations of the nuclear model codes TALYS, CoH, EMPIRE, and ALICE. The default code predictions largely failed to reproduce the measurements. Therefore, we developed a standardized procedure, which determines the reaction model parameters that best reproduce the most prominent reaction channels in a physically justifiable manner. Overall, the primary focus of the procedure was to determine the best parameterization for the pre-equilibrium two-component exciton model. This modeling study revealed a trend towards a relative decrease for internal transition rates at intermediate proton energies ($E_p=20-60$ MeV) in the current exciton model as compared to the default values. The results of this work are instrumental for the planning, execution, and analysis essential to isotope production.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Exploring Dynamic P-Q Capability and Abnormal Operations of Inverter-Based Resources

Nowadays, inverter-based resources are rapidly growing in electric power systems. On the other side, abnormal inverter operations are also occurring more often. Traditionally, inverter PQ capability charts are employed by electric utility companies to ensure safe and reliable operations of inverter-based resources. However, it is found in this paper that existing inverter PQ capability charts do not address the operating characteristics of an inverter correctly, which can result in irregular and unstable inverter operations. Here in this paper, a novel study is conducted to investigate inverter PQ capability charts, where constraints that are specific to an inverter are considered. It is found in this paper that the inverter PQ capability charts exhibit a unique dynamic nature under uncertain grid conditions. This dynamic nature has not been considered by the industry in managing, designing, and controlling an inverter as well as in developing international standards for inverter-based resources. Via both electromagnetic transient simulation and hardware experimental investigations, it is found that the dynamic PQ capability nature, together with the limitations of the existing control methods, are the underlying causes of many unusual inverter operations that have been reported in the literature.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2020

Suggested Modifications for Bifacial Capacity Testing

Capacity tests such as those described in ASTM 2848 and IEC 61724-2 are widely used during the contracting and acceptance testing of photovoltaic systems. With the increasing deployment of bifacial photovoltaic modules, there is a need to develop a standardized approach to capacity test these systems. Although variability and bias error were inherently higher for the measured capacity of bifacial systems, they could be reduced to a level consistent with the monofacial reference system by appropriate incorporation of rear irradiance—either measured or modeled. Three field installations provided bifacial system capacity that was measured with a mean bias error and standard deviation within 1% over the 2–10-month observation period. Capacity test accuracy could be improved further by using the measured back-of-module temperature and the IEC 61724-2 test method for well curated systems.

41 EE - Solar Energy Technologies Office (EE-4S)↗

DOE OSTI2022

Grid-Forming and Grid-Following Inverter Comparison of Droop Response

With the increase in penetration of inverter-based resources (IBRs) in the electrical power system, the ability of these devices to provide grid support to the system has become a necessity. With standards previously developed for the interconnection requirements of grid-following inverters (GFLI) (most commonly photovoltaic inverters), it has been well documented how these inverters “should” respond to changes in voltage and frequency. However, with other IBRs such as grid-forming inverters (GFMIs) (used for energy storage systems, standalone systems, and as uninterruptable power supplies) these requirements are either: not yet documented, or require a more in deep analysis. With the increased interest in microgrids, GFMIs that can be paralleled onto a distribution system have become desired. With the proper control schemes, a GFMI can help maintain grid stability through fast response compared to rotating machines. This paper will present an experimental comparison of commercially available GFMI and GFLI ' responses to voltage and frequency deviation, as well as the GFMI operating as a standalone system and subjected to various changes in loads.

Grid Support, Inverter, Droop Control, Volt-VAR, F↗

DOE OSTI2026

Measuring X-Ray Emission Line Shapes in Neutral Species for XRISM Calibration

Space X-ray spectrometers such as the Resolve instrument on XRISM require precise calibration in order to interpret the spectra of astrophysical objects. Key components of the calibration are the energy scale and the core line spread function, both of which vary with photon energy. A major issue in the calibration of high-resolution spectrometers is locating good calibrators with well-known and stable intrinsic line shapes. Neutral fluorescence is widely used, but inner-shell transitions in neutral atoms often exhibit complex, poorly documented line shapes that vary with excitation conditions. Here, in this study, we present empirical measurements of K-shell transitions in neutral O and F below 1 keV using an engineering model XRISM calorimeter array, an electron bombardment modulated X-ray source, and an electron beam ion trap (EBIT) to provide a precise energy reference. In addition, we report measurements of the Mo Lα complex with the transition-edge microcalorimeter spectrometer (TEMS), which reveal strong satellite structure and sensitivity of the line shape to the incident exciting spectrum. Together, these results demonstrate the need for empirical line-shape models, highlight the nonstationary nature of neutral fluorescence features, and define a path toward developing transfer standards for XRISM and future precision instruments such as Athena/X-IFU.

Astronomy and AstroPhysics↗

DOE OSTI2025

Quantifying Climate Change Effects of Bioenergy and BECCS: Critical Considerations and Guidance on Methodology

Bioenergy is a critical element in many national and international climate change mitigation efforts, including as a carbon dioxide removal strategy combined with the capture and durable geological storage of flue gas emissions (BECCS). However, divergent results on the effectiveness of bioenergy as a climate change mitigation measure are reported in the scientific literature. Climate impacts of bioenergy depend on case-specific factors, primarily biophysical features of the biomass production system, and the design and efficiency of conversion and capture processes. Estimates of climate impacts are also strongly affected by methodological choices and assumptions, and much of the divergence between studies derives from differences in the assumed alternate use of the land or feedstock, the alternate energy source and the system boundaries applied. We present a methodology to support robust estimates of the climate change effects of bioenergy systems, updating the standard methodology developed by the International Energy Agency's Technology Collaboration Program on Bioenergy. We provide guidance on the key choices including the reference land use and energy system that bioenergy is assumed to displace, spatial and temporal system boundaries, co-product handling, climate forcers considered, metrics applied and time horizon of impact assessment. Researchers should consider the whole bioenergy system including all life cycle stages, and choose system boundaries, reference systems and treatment of co-products that are consistent with the intended application of the results. The assessment should be normalised to a functional unit that can be compared with other systems delivering an equivalent quantity of the same function. All significant climate forcers should be included, and climate effects should be quantified using appropriate impact assessment methods that distinguish the impact of time. Consistency in methodology and interpretation will facilitate comparison between studies of different bioenergy systems.

09 BIOMASS FUELS↗

DOE OSTI2025

Data Readiness for Scientific AI at Scale

This paper examines how Data Readiness for AI (DRAI) principles apply to leadership-scale scientific datasets used to train foundation models. We analyze archetypal workflows across four representative domains—climate, nuclear fusion, bio/health, and materials—to identify common preprocessing patterns and domain-specific constraints. We introduce a two-dimensional readiness framework that combines canonical preprocessing patterns with a five-level operational readiness scale, both tailored to high-performance computing (HPC) environments. This framework helps outline key challenges in transforming large-scale scientific data into formats suitable for scalable AI training. Together, these dimensions form a conceptual maturity matrix that characterizes scientific data readiness and guides infrastructure development toward standardized, cross-domain support for scalable and reproducible AI for science.

Brewer, Wes [ORNL] (ORCID:0000000236393956)↗

DOE OSTI2024

SLICE

For most of their lifetime, pebble-bed reactors (PBRs) operate at an equilibrium state in which the core is filled with fuel pebbles at various levels of burnup. A fuel pebble travels multiple times in so-called passes through the reactor before it reaches its target discharge burnup and is replaced with a fresh fuel pebble. Given the stochastic nature of the fuel pebble travel paths and consequently the individual fuel pebble histories, it is not possible with standard methods developed for traditional reactor concepts to calculate the fuel inventory in the reactor core. An iterative approach, the SCALE Leap-In method for Cores at Equilibrium (SLICE), was developed to generate region-average fuel inventory for a PBR. The SLICE code enables automatic generation of input files for the SCALE code system (https://www.ornl.gov/scale), management of the SCALE result files, and analysis of results.

Bostelmann, Friederike [Oak Ridge National Laborat↗

DOE OSTI2020

Measuring Atmospheric Gas Using Small Satellites (Final Report)

The research focused on demonstrating that a small satellite (< 10 kg) is able to provide useable data in support of stratospheric circulation and broader atmospheric measurement generally thought to required large, lengthy and high cost space programs. The research goals targeting enabling CubeSats to serve as science platforms including low-cost communication infrastructure, science enabling solar panels and a ruggedized small form factor science instrument were highly successful with demonstrated on-orbit results. The collection of science data on-orbit was not successful due to a high tumbling rate impacted to the spacecraft at time of release on orbit, preventing reliable solar charging and leading to premature ending of the mission. The successes acquired on orbit will act as a springboard for further research and space projects at LLNL. Several research groups (both private and government) have expressed interest in the area of this research that proved successful such as the solar panels and iridium crosslink as well as the LLNL developed CubeSat standard.

42 ENGINEERING↗

DOE OSTI2020

SIMS Analysis of d18O and d13C of Carbonate Cements in Shale & Mudstone. Final report

This project has had two primary goals: 1) improving new technology for in situ microanalysis of stable isotope ratios by SIMS (secondary ion mass spectrometry) and 2) evaluating the importance of in situ analysis for studies of carbonate cements within shales of the Bakken Petroleum System. The systematic relations of stable isotope ratios provide an important tool to help resolve critical questions in geology. Stable isotope analysis of carbonate cements in shale constrain many topics of interest to DOE including: CO2 sequestration, climate change, and the genesis and quality of rock reservoirs for petroleum, natural gas, and water. However, this evidence is often preserved as fine-scale zonation, which is homogenized by conventional bulk analysis of powders. Recently, analysis of ultra-small spots in polished samples at the University of Wisconsin WiscSIMS Lab. has documented stable isotope zoning in carbonates and other diagenetic cements at smaller scales than previously possible. We have made detailed studies of oxygen and carbon isotope ratios in diagenetic cements from shales of the Bakken Formation from the Williston basin and elsewhere. The Bakken contains both reservoir and source rocks for petroleum. Hydrofracturing has greatly enhanced production of oil in these tight reservoirs. The sediments contain zoned carbonate cements with growth textures that record multiple events. The growth of carbonate (dolomite) cements has been proposed to control reservoir quality, but previous stable isotope studies of homogenized powders could not resolve individual generations of cement and this proposal remains untested. Our better characterization of the multiple growth zones in these carbonates will aid in understanding the genesis of these tight reservoirs and the production of unconventional oil and gas. This study has also developed SIMS standards for analysis of all compositions of Ca-Mg-Fe carbonate and selected Mn-carbonates and hydromagnesite. We have refined techniques for improved accuracy of SIMS stable isotope analysis, and for sub-1-micron spot sizes. We have established protocols for mapping and correlating sample analyses at micron-scale using QGIS software.

04 OIL SHALES AND TAR SANDS↗

DOE OSTI2020

Addressing Soiling: From Interface Chemistry to Practicality

Natural soiling has reduced the energy output of photovoltaic (PV) systems since the technology was first used. Projecting even a small average annual soiling loss translates to billions of dollars in annual lost revenue worldwide. Production losses due to soiling can be very high in some locations, substantially increasing the levelized cost of electricity (LCOE) due to lost power production, increased operating and maintenance costs, and/or increased finance cost due to the uncertainty. Furthermore, although soiling has been discussed in the literature for more than 70 years, solutions to many problems are still needed. The National Renewable Energy Laboratory (NREL) is working with the PV industry to develop the tools/knowledge so that the effects of soiling can be predicted for different environmental conditions and cost-effective mitigation can be implemented. For this project, NREL performed a number of research and development tasks/subtasks in the following general areas to 1) predict PV module soiling losses based on environmental factors at a PV installation and from its energy production data, 2) quantitatively measure the adhesion forces to understand the physics enabling soiling, and 3) develop related standards on PV module coatings and artificial soiling. At the inception of the project, the PV industry considered these efforts to be the most important and immediate soiling issues that we could address to have the highest impact on LCOE. These focused efforts have led to outstanding accomplishments that have been communicated and very well received by the community.

14 SOLAR ENERGY↗

DOE OSTI2020

MPI Session: External Network Transport Implementation (V.1.0)

The MPI Sessions extensions to the MPI standard have been accepted by the MPI Forum and will be included in the upcoming MPI 4 version of the standard. MPI Sessions has the potential to address several limitations of MPI’s current specification: MPI cannot be initialized within an MPI process from different application components without a priori knowledge or coordination; MPI cannot be initialized more than once; and, MPI cannot be reinitialized after MPI finalization. MPI Sessions also offers the possibility for more flexible ways for individual components of an application to express the capabilities they require from MPI at a finer granularity than is presently possible. A prototype of MPI Sessions, based on the Open MPI implementation of the MPI standard, was developed to facilitate acceptance of the Sessions proposal by the Forum. The initial implementation had some limitations, one of the more significant ones being that it was limited in its ability to fully exploit modern network APIs such as OFI libfabric and OpenUCX and underlying network hardware. This report presents enhancements to the prototype implementation of MPI Sessions that removes this restriction for the networks to be used in the next generation of DOE exa–scale systems. Open MPI was used as the implementation vehicle, but results here are also relevant to other middleware stacks.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Federal Energy Management Program’s Technical Resilience Navigator: Communications Plan

The Federal Energy Management Program is working to develop a standard, agency-neutral energy and water technical resilience navigator (TRN) to assist federal agencies with their resilience planning efforts, building on agency-expressed needs. The TRN Communications Plan defines how the project team and FEMP will generate awareness of the TRN, recruit validators, encourage its use across federal agencies, increase awareness among various audiences, and solicit user feedback on its usefulness including suggestions for improvement. In support of this purpose, the communications plan characterizes the key audiences, messages, communications channels, and activities needed to help ensure success. The role of communications is to define strategy and ensure leadership and consistency in messaging, writing, outreach, media relations, editing, and design related to the TRN.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2020

Development of Tools Training and Outreach to Address Solar Glare and Flux-Related Avian Impacts

Millions of dollars and significant resources are being spent by developers of utility-scale solar photovoltaic (PV) and concentrating solar power (CSP) plants to address federal and local requirements regarding glare and avian hazards. Solar glare can occur from the glass surfaces of PV modules and from mirrors in CSP systems, which can produce safety and health risks for pilots, motorists, and residents located near these systems. In addition, concentrated solar flux at CSP plants has the potential to singe birds as they fly through regions of high solar flux. This work will develop tools to characterize and mitigate these potential hazards, which will address regulatory policies and reduce costs and efforts associated with the proposed deployment of gigawatts of solar energy systems throughout the nation. The development of standardized and publicly available tools to address these regulatory policies and ensure public and environmental safety is an appropriate role for the government.

14 SOLAR ENERGY↗

DOE OSTI2020

CRADA Final Report: Open Microgrid Platform

Current microgrid control technology is mostly proprietary, expensive, and inflexible. An open-source, vendor-neutral, publish-subscribe controller will significantly lower the barrier to entry for new technologies and market entrants: inverter, battery, and load control manufacturers; cloud and services providers; and energy aggregators. An OpenFMB controller can significantly reduce the acquisition, integration, and ongoing operating and maintenance costs and increase revenue opportunities for energy producers and consumers. It allows distributed energy resource (DER) owners to replace individual DER components as richer-function, lower-cost devices become available or to incorporate new forecast and optimization algorithms as they are developed. A standard, secure, full-function DER field controller will also provide a low-cost means for grid operators to effectively manage the variability and uncertainty of solar photovoltaics (PV). Under the terms of this CRADA, ORNL has worked with Open Energy Solutions (OES) to advance the transition of ORNL’s existing open-source microgrid controller into a platform geared toward mainstream implementation. Using a more prevalent and memory-safe programming language, Rust, OES has converted ORNL’s current generation on-grid optimization into an application more suitable for industry use. The results of the ported optimization were analyzed by inputting the same arguments in both the current-generation and next-generation optimizers and verifying that the results were equivalent.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2021

COTS Data Analytics Software User Manual: Version 1.0

Large volumes of data are being collected by Sandia National Laboratories as part of an active commercial-off-the-shelf (COTS) part testing and surveillance program. This user manual documents Python-based COTS Data Analytics software that has been developed for standardizing, displaying, visualizing, and analyzing the resulting COTS part testing and surveillance data. It is the objective of these software tools to streamline the analysis of COTS testing and surveillance data and improve the efficiency with which test engineers and data analytics experts can pinpoint possible performance and reliability problems in COTS parts.

42 ENGINEERING↗