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DOE OSTI2021

Regulatory Treatment of Low Frequency External Events under a Risk-Informed Performance-Based Licensing Pathway

Significant efforts are underway to develop and implement a risk-informed performance-based licensing framework for advanced reactors built on the establishment of an affirmative safety case. Such approaches offer the benefits of increased flexibility regarding key design and licensing decisions based on a detailed assessment and understanding of plant risk. These methods include the comprehensive analysis of scenarios that have historically been addressed through conservative and deterministic licensing analysis approaches, such as the evaluation of event sequences at frequencies of occurrence beyond the design basis. While the detailed analysis of low frequency events provides insights that can help justify alternative treatments to past conservatism, the findings are dependent on the quality and confidence associated with the analyses. The assessment of external hazards presents a unique challenge, as their potential frequency of occurrence, especially of large magnitude events, is inherently uncertain given the long return periods in question. The current project seeks to further explore the regulatory treatment of low frequency external events as part of a risk-informed performance-based framework. The goals are to identify the benefits and challenges of such approaches for advanced reactor vendors and to aid in the development of consistent and appropriate methodologies. As part of this effort, the current report summarizes initial project findings, with a focus on the evaluation of the seismic hazard. This includes an exploration of the implementation of a risk-informed performance-based approach through an example analysis. Based on the identified challenges associated with the probabilistic treatment of low frequency event sequences, additional performance-based methods were explored as complementary tools for demonstrating regulatory compliance. The report highlights key challenges and opportunities associated with the methods and outlines recommendations and future activities to assist with their implementation.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2022

Sparse Data Machine Learning Integration with Theory, Experiment and Uncertainty Quantification: Process-Structure-Property-Performance of Friction Deformation Processing

Computer vision and deep learning tools that advance the ability to establish processing-structure-property-performance (PSPP) relations are presented. The Bayesian binning method for image segmentation enables quantitative analysis of microstructural features in an automated way, while the analysis of shapes and relative orientation of these features reveals local deformation maps indicative of both, material flow and residual stresses due to materials processing. The deep learning method leads to the previous knowledge agnostic mapping of empirically observed microstructural zones in friction stir welding (FSW) process and synthetic microstructure generation capability that is statistically equivalent to experimentally collected data.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Cybersecurity for Electric Vehicle Fast-Charging Infrastructure: Preprint

The integration of electric vehicles (EVs) into electric grid operations can potentially leave the grid vulnerable to cyberattacks from both legacy and new equipment and protocols, including extreme fast-charging infrastructure. This paper introduces a co-simulation platform to perform cyber vulnerability analysis of EV charging infrastructure and its dependencies on communications and control systems. Grid impact scenarios through linkages to power system simulation tools such as OpenDSS and vehicle infrastructure-specific attack paths are discussed. An adaptive platform that assists with predicting and solving evolving cybersecurity challenges is demonstrated with a cyber-energy emulation that accelerates the analysis of cyberattacks and system behavior.

47 OTHER INSTRUMENTATION↗

DOE OSTI2021

Cybersecurity for Fast Charging EV Infrastructure

ADVANCED PROPULSION SYSTEMS,POWER TRANSMISSION AND↗

DOE OSTI2022

2.1.3.404 - WEC Array Power Management and Output Simulation Tool

An array of wave energy converter (WEC) devices has variations in power output due to the chaotic nature of the waves. Eliminating or mitigating the power fluctuations is important for reducing the integration impacts of WEC plants in both distribution and transmission grids, and in standalone isolated power systems. Reduced variability of WEC-generated power in combination with energy storage or power management control at each WEC and at the array level will help increasing hosting capacity of distribution feeders for this type of variable renewable generation, and minimization of electric losses. To reduce risks and risk perception, gain key stakeholder acceptance, and enable developers to design effective and compatible energy plants with arrays of WEC devices, it requires the use of modeling tools to simulate the resource environment, device dynamics, utility power system response, as well as the development of an interface for an array controller. The project will create a publicly accessible numerical modeling framework to empower the wave energy sector to design projects of various scales (kW-100s MW), which are optimized on a plant performance basis and are compatible with different power systems and wave conditions. The framework will integrate with WEC-Sim, a wave environment model (SWAN-FUNWAVE), as well as established relevant electrical analysis tools, to model the grid system and interconnection, and optimize power output and power management for the WEC array.

POWER TRANSMISSION AND DISTRIBUTION,TIDAL AND WAVE↗

DOE OSTI2019

An overview of the first principles studies of doped RE-TM5 systems for the development of hard magnetic properties

In this study, we compiled all the first principles calculations performed on RE-TM 5 (RE: rare earth, TM: transition metal) system to address the following question: Has everything been tried to improve the hard magnetic properties of this special intermetallic compound, and are there any venues that are worth pursuing? As it is the case with the first principles studies in any field, they are driven mainly by experimental work: (i) to validate their results, and (ii) to extend our understanding of the underlying physical phenomena so that the theory in hand can be used as a predictive tool to shed light on certain what-if scenarios. Our analysis indicates that three major compounds are investigated more than others: (1) YCo 5 , because it can potentially be an intermediate-performance hard magnet, and the presence of yttrium with no localized 4f electrons simplifies calculations significantly, (2) SmCo 5 , because it has the largest magnetic anisotropy energy among all RE hard magnets as well as very impressive high temperature performance, (3) CeCo 5 , because Ce is the most abundant rare earth element with a curious 4f electron behavior that gives rise to pronounced deviations in its structural and magnetic properties across the lanthanides series. This is followed by a brief analysis of several ab initio approaches that were developed to treat these rather complicated systems both at 0 K and at finite temperatures. Towards the end, we elucidate the role of exchange-correlation approximations such as local density approximations (LDA) and generalized gradient approximation (GGA) formulation in determining the MAE and M s by analyzing their corresponding density of states (DOS), and providing our results on a rather overlooked hard-magnetic material: LaCo 5 .

36 MATERIALS SCIENCE↗

DOE OSTI2022

Need for advanced research reactors for the next-generation reactor physics, analysis tools, and technology

Full text of publication follows. There is an urgent need for design and deployment of advanced research and test reactors in support of design, licensing and operation of advanced power reactors and education of next generation nuclear workforce. Existing research reactors mostly were designed and constructed decades ago with the main objectives of training operators, performing reactor physics experiments, and educating nuclear engineers and scientists. There are already gaps and significant concern about future capabilities for the existing research reactor facilities to address modern instrumentation and/or flexible environments for: performing reactor physics studies for advanced designs which have significantly different core materials forms and compositions, reactor shapes and size; validation of advanced high-fidelity software; development of machine learning algorithms for enhancement of human-machine collaboration in support of reactor monitoring, operation and safeguards; and, effective education of the next-generation workforce. The authors will focus on the need for advanced research reactors to improve and validate fast and accurate simulation tools for high-fidelity modeling and analysis of nuclear reactors in support of their design, optimization, licensing, operation, and monitoring. In the past, simulation tools were limited to relatively coarse models using approximate methodologies that benefited from two main factors: i) allowance for large margins and tolerances; ii) ability to construct prototype (e.g., zero power) reactors for adjustment of approximate methodologies. The next generation reactors have to be designed mainly by using novel high-fidelity computational tools that are accurate and fast, and therefore can be used for parametric studies and uncertainty quantification. To sufficiently demonstrate the accuracy of these tools, advanced research reactors are needed. The authors argue the need for new computational paradigms such as the MRT (Multistage, Response- function Transport) methodology which has resulted in the development of the novel high-fidelity RAPID (Real-time Analysis for Particle-transport and In-situ Detection) code system. Such code systems have to be robust in modeling any complex system, and should be fast and accurate, henceforth their uncertainties can be quantified at reasonable costs. Again, advanced research reactors are needed for the validation of the fidelity and accuracy of new computational tools. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2023

Development of Genetic Algorithm Based Multi-Objective Plant Reload Optimization Platform

The U.S. nuclear industry is facing a challenge in maintaining required levels of safety while ensuring economic competitiveness to stay in business. Safety remains a key parameter for all aspects of light-water reactor nuclear power plant operations. Safety can become more economical by using a risk-informed ecosystem, such as the one being developed in the Risk-Informed Systems Analysis Pathway under the U.S. Department of Energy Light Water Reactor Sustainability Program. The Light Water Reactor Sustainability Program promotes a wide range of research and development activities to maximize both the safety and economic efficiency of nuclear power plants through improved scientific understanding, especially given that many plants are now considering second license renewals. The Risk-Informed Systems Analysis Pathway has two main goals: Deploy methodologies and technologies that better represent safety margins and cost and safety factors; Develop advanced applications that enable cost-effective plant operations. The Plant Reload Optimization Platform development project aims to build a reactor core design tool that includes reactor safety and fuel performance analyses and uses artificial intelligence to support the optimization of core design solutions. This report summarizes genetic-algorithm-based multi-objective fuel reload optimization activities, specifically: Developing the non-dominated sorting genetic algorithm II optimizer in the Risk Analysis and Virtual ENviroment (RAVEN); Demonstrating and validating the developed non-dominated sorting genetic algorithm II optimizer using benchmark optimization problems.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

Preprocessing for Unintended Conducted Emissions Classification with ResNet

Characterization of Unintended Conducted Emissions (UCE) from electronic devices is important when diagnosing electromagnetic interference, performing nonintrusive load monitoring (NILM) of power systems, and monitoring electronic device health, among other applications. Prior work has demonstrated that UCE analysis can serve as a diagnostic tool for energy efficiency investigations and detailed load analysis. While explaining the feature selection of deep networks with certainty is often not fully comprehensive, or in other applications, quite lacking, additional tools/methods for further corroboration and confirmation can help further the understanding of the researcher. This is true especially in the subject application of the study in this paper. Often the focus of such efforts is the selected features themselves, and there is not as much understanding gained about the noise in the collected data. If selected feature and noise characteristics are known, it can be used to further shape the design of the deep network or associated preprocessing. This is additionally difficult when the available data are limited, as in the case which the authors investigated in this study. Here, the authors present a novel work (which is a proposed complementary portion of the overall solution to the deep network classification explainability problem for this application) by applying a systematic progression of preprocessing and a deep neural network (ResNet architecture) to classify UCE data obtained via current transformers. By using a methodical application of preprocessing techniques prior to a deep classifier, hypotheses can be produced concerning what features the deep network deems important relative to what it perceives as noise. For instance, it is hypothesized in this particular study as a result of execution of the proposed method and periodic inspection of the classifier output that the UCE spectral features are relatively close to each other or to the interferers, as systematically reducing the beta parameter of the Kaiser window produced progressively better classification performance, but only to a point, as going below the Beta of eight produced decreased classifier performance, as well as the hypothesis that further spectral feature resolution was not as important to the classifier as rejection of the leakage from a spectrally distant interference. This can be very important in unpredictable low-FNR applications, where knowing the difference between features and noise is difficult. As a side-benefit, much was learned regarding the best preprocessing to use with the selected deep network for the UCE collected from these low power consumer devices obtained via current transformers. Baseline rectangular windowed FFT preprocessing provided a 62% classification increase versus using raw samples. After performing a more optimal preprocessing, more than 90% classification accuracy was achieved across 18 low-power consumer devices for scenarios in which the in-band features-to-noise ratio (FNR) was very poor.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

Precision Local Burnup Assessment Through Dynamic Peak Fitting in Atom Probe Tomography for Depleted, Enriched, and Irradiated Metallic and Ceramic Fuels

Abstract Burnup estimation in nuclear fuels is vital for evaluating fuel performance, transportation, and safe fuel storage. Accurate assessments of burnup from service period and spent fuels involve tracking the consumption of fissile isotopes of uranium (U) offering a direct insight into energy changes within the fuels especially for thermal spectrum reactors. In current approach, mass spectroscopic technique in atom probe tomography (APT) is utilized for accurate quantification of U isotopes. Quantification of U peaks in mass spectrum is performed on asymmetric shapes due to delayed signals, known as thermal tails, particularly for poorly conducting samples analyzed in laser mode. In this study, we introduce a novel quantification tool for isotopic analysis from APT datasets by developing a fitting algorithm based on shapes of the peaks. A MATLAB-based dynamic peak fitting toolbox is developed and designed to adapt to various peak shapes, ensuring accurate quantification of U isotopes. The effectiveness of this approach is demonstrated in standard Ni-Cr sample, depleted and enriched U samples, and U-based fuels with different burnup levels. The viability of this approach for isotopic quantification is demonstrated on both metallic and ceramic fuels.

Burnup↗

DOE OSTI2024

10 Boron-film-based gas detectors at ESS

The development of detectors for the European Spallation Source is an important parallel element to the effort put into the design and construction of the neutron source and instruments. The 10Boron-film-based detector developments that started over a decade ago as basic detector concepts have now reached technical maturity after intense prototyping work and numerous testing campaigns. Several of the ESS beamlines that will soon enter the commissioning phase started welcoming the detector systems built with the 10 B-film converter technology. The real-size demonstrators evolved in the last 2–3 years into a diverse suite of gas proportional counters for use in diffraction, reflectometry and small-angle scattering studies in spite of the operational complexity posed by the requirements for large-area coverage, low material budget and robustness for operation in the high-flux and high-radiation environment of ESS. The detectors are now being shipped to ESS or undergoing the last performance and calibration tests before being handed over to the instrument teams for installation in the host beamlines. A common feature of these detector systems is the very large number of readout channels that they are instrumented with in order to fulfill the demanding requirements for sensitivity, spatial resolution and count-rate capability. Across all of the detector types that will operate at ESS, the integration, testing and commissioning of the read-out technologies and software tools for data reduction, calibration and analysis are the focus of the detector and integration teams. These will yield a wealth of knowledge about their operation as well as initial results on the in-situ performance, a very important asset to ensure rapid commissioning of the detectors when neutrons from the ESS source become available. In this paper we will give an overview of the 10 B-film-based detector technologies included in the ESS detector suite that are currently facing the transition from the production phase to installation and integration with the other beamline components, which comes with its own specific challenges of both organizational and technical nature.

47 OTHER INSTRUMENTATION↗

DOE OSTI2023

FORCE Integration with DRAFT and IDAES

Integrated energy systems (IES) combine, in mutually beneficial ways, power from variable renewable energy sources and nuclear power plants (NPP) to produce multiple commodities and improve economic viability under uncertain market conditions. Technical and economic analysis of IES requires modeling of complex processes with software models having enough fidelity to capture real-world dynamics while still being capable of running using reasonable computing resources. The open-source Framework for Optimization of Resources and Economics (FORCE) tool suite, developed at Idaho National Laboratory (INL), has enabled comprehensive modeling and simulation of IES. The capabilities within FORCE include grid portfolio optimization through the Holistic Energy Resource Optimization Network (HERON) and the transient process model analysis library HYBRID, among others. Recent developments for the FORCE toolset have centered on strengthening the flexibility and modularity to link with external models and other available software to enhance IES simulations. Adding versatility to the FORCE toolset improves capability resulting in better techno-economic simulation of nuclear and IES components (both in potential higher fidelity and accuracy to expected performance after deployment). It also helps leverage existing work in the IES field and improve efficiency in national code development. This report focuses on two such endeavors: integration of the Dynamic Reliability Analysis Framework Tool (DRAFT) and the Design Integration and Synthesis Platform to Advance Tightly Coupled Hybrid Energy Systems (DISPATCHES) software packages into FORCE.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Ground Source Heat Pump Screening Tool and Related Resources

This archive contains both a link to Oak Ridge National Laboratory's Ground Source Heat Pump (GSHP) Screening Tool and related resources documenting its development, technical features, and applications. The web-based screening tool is a techno-economic analysis resource designed to evaluate the feasibility, costs, and benefits of implementing GSHP systems in buildings across various U.S. climate zones. It is intended for use by building owners, HVAC system designers, and installers to support decision-making in residential and commercial applications, incorporating advanced modeling capabilities such as ground heat exchanger design. The included resources detail the tool's creation and use, covering topics such as innovative ground heat exchanger design methodologies, the development of an open library of g-functions for borehole configurations, and studies on GSHP performance and economic viability in retrofitting single-family homes.

15 GEOTHERMAL ENERGY↗

DOE OSTI2023

A standardized quantitative analysis strategy for stable isotope probing metagenomics

ABSTRACT Stable isotope probing (SIP) facilitates culture-independent identification of active microbial populations within complex ecosystems through isotopic enrichment of nucleic acids. Many DNA-SIP studies rely on 16S rRNA gene sequences to identify active taxa, but connecting these sequences to specific bacterial genomes is often challenging. Here, we describe a standardized laboratory and analysis framework to quantify isotopic enrichment on a per-genome basis using shotgun metagenomics instead of 16S rRNA gene sequencing. To develop this framework, we explored various sample processing and analysis approaches using a designed microbiome where the identity of labeled genomes and their level of isotopic enrichment were experimentally controlled. With this ground truth dataset, we empirically assessed the accuracy of different analytical models for identifying active taxa and examined how sequencing depth impacts the detection of isotopically labeled genomes. We also demonstrate that using synthetic DNA internal standards to measure absolute genome abundances in SIP density fractions improves estimates of isotopic enrichment. In addition, our study illustrates the utility of internal standards to reveal anomalies in sample handling that could negatively impact SIP metagenomic analyses if left undetected. Finally, we present SIPmg , an R package to facilitate the estimation of absolute abundances and perform statistical analyses for identifying labeled genomes within SIP metagenomic data. This experimentally validated analysis framework strengthens the foundation of DNA-SIP metagenomics as a tool for accurately measuring the in situ activity of environmental microbial populations and assessing their genomic potential. IMPORTANCE Answering the questions, “who is eating what?” and “who is active?” within complex microbial communities is paramount for our ability to model, predict, and modulate microbiomes for improved human and planetary health. These questions can be pursued using stable isotope probing to track the incorporation of labeled compounds into cellular DNA during microbial growth. However, with traditional stable isotope methods, it is challenging to establish links between an active microorganism’s taxonomic identity and genome composition while providing quantitative estimates of the microorganism’s isotope incorporation rate. Here, we report an experimental and analytical workflow that lays the foundation for improved detection of metabolically active microorganisms and better quantitative estimates of genome-resolved isotope incorporation, which can be used to further refine ecosystem-scale models for carbon and nutrient fluxes within microbiomes.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

AEGIS (Air Emissions Grouped by Industrial Sectors) [SWR-24-49]

AEGIS is a robust framework designed to build and compile emissions inventories for various industrial sectors. It integrates multiple emissions databases provided by the USEPA – including GHGRP, NEI, and TRI – and leverages the STEWI and STEWICOMBO tools to retrieve, merge, and process data. The framework produces facility- and process-level inventories, identifies discrepancies (e.g., NAICS or FRS mismatches), and performs exploratory analysis including emission concentration calculations and visualization.

Atnoorkar, Swaroop↗

DOE OSTI2021

Fission Product Yield Data Adjustment in a Prototype Version of TSURFER

The TSURFER (Tool for Sensitivity/Uncertainty analysis of Response Functionals using Experimental Results) module of Oak Ridge National Laboratory’s (ORNL’s) SCALE code system has been updated to perform nuclear data adjustments for fixed-source irradiation/depletion problems. TSURFER uses a generalized linear least squares (GLLS) approach to consolidate a prior set of measured responses and corresponding calculated values to create the most self-consistent set of nuclear data. Traditionally, TSURFER adjustments have been performed for multigroup nuclear data such as reaction cross sections. In this work, TSURFER is expanded to perform adjustments to independent fission product yields and branching ratios that need equality constraints. To preserve equality constraints after the data adjustment procedure, an updated GLLS formulation includes a new Lagrange multiplier that forces data adjustment to sum to 0 for a given fission yield/branching ratio parent. A test problem illustrates that the newly updated TSURFER module satisfies the required constraint that adjustments for fission yield data sum to 0.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

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↗

DOE OSTI2025

Landscaper v1

Understanding the inner workings of machine learning models through their loss landscapes offers crucial insights into model properties, optimization dynamics, and generalizability. However, accessing these insights has traditionally required specialized mathematical expertise, limiting broader adoption. Landscaper is an open-source Python package designed to bridge this gap. Landscaper seamlessly integrates a suite of multi-dimensional loss landscape analyses with cutting-edge topological data analysis (TDA) methods. This powerful combination makes both fundamental loss landscape analysis and advanced TDA techniques accessible to the broader scientific ML community, without requiring deep pre-existing mathematical knowledge. Landscaper offers three key functionalities: * Construction: Builds detailed loss landscape representations through versatile low and high-dimensional sampling techniques. * Quantification: Applies advanced metrics, including a novel topological data analysis (TDA) based smoothness metric, enabling new perspectives on model behavior. * Visualization: Offers intuitive tools to visualize and interpret loss landscapes, providing actionable insights beyond traditional performance metrics.

Weber, Gunther [Lawrence Berkeley National Laborat↗