Results for “Design rules” — Page 34

DOE OSTI2020

Probing the Local Site Disorder and Distortion in Pyrochlore High-Entropy Oxides

High-entropy oxides (HEOs) have attracted great interest in diverse fields because of their inherent opportunities to tailor and combine materials functionalities. The control of local order/disorder in the class is by extension a grand challenge toward realizing their vast potential. In this paper, we report the first examples of pyrochlore HEOs with five M-site cations, for Nd 2 M 2 O 7 , in which the local structure has been investigated by neutron diffraction and pair distribution function (PDF) analysis. The average structure of the pyrochlores is found to be orthorhombic Imma, in agreement with radius-ratio rules governing the structural archetype. The computed PDFs from density functional theory relaxed special quasirandom structure models are compared with real space PDFs in this work to evaluate M-site order/disorder. Reverse Monte Carlo combined with ab initio molecular dynamics and Metropolis Monte Carlo simulations demonstrates that Nd 2 (Ta 0.2 Sc 0.2 Sn 0.2 Hf 0.2 Zr 0.2 ) 2 O 7 is synthesized with its M-site local to nanoscale order highly randomized/disordered, while Nd 2 (Ti 0.2 Nb 0.2 Sn 0.2 Hf 0.2 Zr 0.2 ) 2 O 7+x exhibits a strong distortion of the TiO 6 octahedron and small degree of Ti chemical short-range order (SRO) on the subnanometer scale. Calculations suggest that this may be intrinsic, energetically favored SRO rather than due to sample processing. These results offer an important demonstration that the engineered variation of participating ions in HEOs, even among those with very similar radii, provides richly diverse opportunities to control local order/disorder motifs—and therefore materials properties for future designs. This work also hints at the exquisite level of detail that may be needed in computational and experimental data analysis to guide structure–property tuning in the emerging HEO materials class.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI1991

Nuclear Safety [Vol. 32, No. 4, October-December 1991]

Nuclear Safety is a review journal that covers significant developments in the field of nuclear safety. Its scope includes the analysis and control of hazards associated with nuclear energy, operations involving fissionable materials, and the products of nuclear fission and their effects on the environment. Primary emphasis is on safety in reactor design, construction, and operation; however, the safety aspects of the entire fuel cycle, including fuel fabrication, spent-fuel processing, nuclear waste disposal, handling of radioisotopes, and environmental effects of these operations, are also treated. Table of Contents for this issue follows. GENERAL SAFETY CONSIDERATIONS: 477 Report on the International Symposium on the Use of Probabilistic Safety Assessment for Operational Safety—PSA '91, S. Chakraborty and M. Khatib-Rahbar; 488 Good Relationships Are Pivotal in Nuclear Data Bases, A. S. Heger and B. V. Koen; 494 Technical Note: The Interagency Nuclear Safety Review Panel's Evaluation of the Ulysses Space Mission, J. A. Sholtis, Jr., D. A. Huff, L. B. Gray, N. P. Klug, and R. O. Winchester; ACCIDENT ANALYSIS: 502 The Severe Accident Analysis Program for the Savannah River Nuclear Production Reactors, M. L. Hyder; CONTROL AND INSTRUMENTATION: 511 A Framework for Selecting Suitable Control Technologies for Nuclear Power Plant Systems, R. A. Kisner; DESIGN FEATURES: 521 Containments for Gas-Cooled Power Reactors History and Status, P.W. Williams; ENVIRONMENTAL EFFECTS: 537 Indoor Radon: A Natural Risk, N. H. Harley and J.H. Harley; On the Importance of the Atmospheric Parameters in the Fission Products Distribution of a Severe Reactor Accident, M. C. Barla and A. R. Bayulken; Book Review: Health Effects of Exposure to Low Levels of Ionizing Radiation BEIR V, C. R. Richmond; WASTE AND SPENT FUEL MANAGEMENT: 555 Activities Related to Waste and Spent Fuel Management, M. D. Muhlheim and E. G. Silver OPERATING EXPERIENCES: 567 Effects of Component Aging on the Westhinghouse Control Rod Drive System, K. Sullivan and W. Gunther; 577 Reactor Shutdown Experience, Compiled by J. W. Cletcher, 580 Selected Safety-Related Events, Compiled by G. A. Murphy; 582 Operating U 8 Power Reactors, Compiled by M. D. Muhlheim and E. G. Silver, RECENT DEVELOPMENTS: 596 General Administrative Activities, Compiled by M. D. Muhlheim and E. G. Silver; 610 Reports, Standards, and Safety Guides, D. S. Queener; 614 Proposed Rule Changes as of June 30, 1991; ANNOUNCEMENTS: 520 Workshop on PC PRAISE: A Probabilistic Fracture Mechanics Personal Computer Code for Nuclear Power Plant Piping Reliability Assessment; 536 Fifth Workshop on Nuclear Power Plant Containment Integrity; 624 New OECD "International Information System on Occupational Exposure (ISOE)"; 625 Harvard School of Public Health Announces Short Courses; 625 Eighth Power Plant Dynamics, Control and Testing Symposium; 626 Second Training Course on Off-Site Emergency Planning and Response for Nuclear Accidents; 618 The Authors; 622 Reviewers of Nuclear Safety, Vol 32.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI1991

Nuclear Safety [Vol. 32, No. 4, October-December 1991]

Nuclear Safety is a review journal that covers significant developments in the field of nuclear safety. Its scope includes the analysis and control of hazards associated with nuclear energy, operations involving fissionable materials, and the products of nuclear fission and their effects on the environment. Primary emphasis is on safety in reactor design, construction, and operation; however, the safety aspects of the entire fuel cycle, including fuel fabrication, spent-fuel processing, nuclear waste disposal, handling of radioisotopes, and environmental effects of these operations, are also treated. Table of Contents for this issue follows. GENERAL SAFETY CONSIDERATIONS: 477 Report on the International Symposium on the Use of Probabilistic Safety Assessment for Operational Safety—PSA '91, S. Chakraborty and M. Khatib-Rahbar; 488 Good Relationships Are Pivotal in Nuclear Data Bases, A. S. Heger and B. V. Koen; 494 Technical Note: The Interagency Nuclear Safety Review Panel's Evaluation of the Ulysses Space Mission, J. A. Sholtis, Jr., D. A. Huff, L. B. Gray, N. P. Klug, and R. O. Winchester; ACCIDENT ANALYSIS: 502 The Severe Accident Analysis Program for the Savannah River Nuclear Production Reactors, M. L. Hyder; CONTROL AND INSTRUMENTATION: 511 A Framework for Selecting Suitable Control Technologies for Nuclear Power Plant Systems, R. A. Kisner; DESIGN FEATURES: 521 Containments for Gas-Cooled Power Reactors History and Status, P.W. Williams; ENVIRONMENTAL EFFECTS: 537 Indoor Radon: A Natural Risk, N. H. Harley and J.H. Harley; On the Importance of the Atmospheric Parameters in the Fission Products Distribution of a Severe Reactor Accident, M. C. Barla and A. R. Bayulken; Book Review: Health Effects of Exposure to Low Levels of Ionizing Radiation BEIR V, C. R. Richmond; WASTE AND SPENT FUEL MANAGEMENT: 555 Activities Related to Waste and Spent Fuel Management, M. D. Muhlheim and E. G. Silver OPERATING EXPERIENCES: 567 Effects of Component Aging on the Westhinghouse Control Rod Drive System, K. Sullivan and W. Gunther; 577 Reactor Shutdown Experience, Compiled by J. W. Cletcher, 580 Selected Safety-Related Events, Compiled by G. A. Murphy; 582 Operating U 8 Power Reactors, Compiled by M. D. Muhlheim and E. G. Silver, RECENT DEVELOPMENTS: 596 General Administrative Activities, Compiled by M. D. Muhlheim and E. G. Silver; 610 Reports, Standards, and Safety Guides, D. S. Queener; 614 Proposed Rule Changes as of June 30, 1991; ANNOUNCEMENTS: 520 Workshop on PC PRAISE: A Probabilistic Fracture Mechanics Personal Computer Code for Nuclear Power Plant Piping Reliability Assessment; 536 Fifth Workshop on Nuclear Power Plant Containment Integrity; 624 New OECD "International Information System on Occupational Exposure (ISOE)"; 625 Harvard School of Public Health Announces Short Courses; 625 Eighth Power Plant Dynamics, Control and Testing Symposium; 626 Second Training Course on Off-Site Emergency Planning and Response for Nuclear Accidents; 618 The Authors; 622 Reviewers of Nuclear Safety, Vol 32.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2020

Ensembles of Metastable States Govern Heterogeneous Catalysis on Dynamic Interfaces

Heterogeneous catalysis is at the heart of chemical industry. Being able to tune and design efficient catalysts for processes of interest is of an utmost importance, and for this, the molecular-level understanding of heterogeneous catalysts is the first step, and indeed a prime focus of the modern catalysis research. For a long time, a single most thermodynamically stable structure of the catalytic interface attained in reaction conditions had been envisioned as the reactive phase. However, some catalytic interfaces continue to undergo structural dynamics in the steady state, triggered by high temperatures, pressures, and binding and changing reagents. Among particularly dynamic interfaces are such widely-used catalysts as crystalline and amorphous surfaced supporting (sub-)nano metallic clusters. Recently, it became clear that this dynamic fluxionality causes the supported clusters to populate many distinct structural and stoichiometric states in catalytic conditions. Hence, the catalytic interface should be viewed as an evolving statistical ensemble of many (not one) structures. As such, every member in the ensemble contributes to the properties of the catalyst differently, and in proportion to its probability to be populated. This new notion flips the established paradigm and calls for new theory, modeling approaches, operando measurements, and updated design strategies. The statistical ensemble nature of surface-supported sub-nano cluster catalysts can be exemplified by oxide-supported and adsorbate-covered Pt, Pd, Cu, CuPd clusters, catalytic toward oxidative and non-oxidative dehydrogenation. They have access to a variety of 3D and quasi-2D shapes. The compositions of their thermal ensembles are dependent on the cluster size, leading to size-specific catalytic activities and the famous “every atom counts” phenomenon. The support and adsorbates affect catalyst structures, and state of the reacting species causes the ensemble to change in every reaction intermediate. The most stable member of the ensemble dominates the thermodynamic properties of the corresponding intermediate, whereas the kinetics can be determined by more active but less populated metastable catalyst states, and that suggests that many earlier studies might have overlooked the actual active sites. Both effects depend on the relative time-scales of catalyst restructuring and reaction dynamics. The catalyst may routinely operate off-equilibrium. Ensemble phenomena lead to surprising exceptions from established rules of catalysis, such as scaling relations, and Arrhenius behavior. Catalyst deactivation is also an ensemble property, and its extent of mitigation can be predicted through the new paradigm. These findings were enabled by advances in theory, such as global optimization and subsequent utilization of multiple local minima, and pathways sampling, as well as operando catalyst characterization. The fact that the per-site and per-species resolution is needed for the description and predicting of catalyst properties gives theory the central role in catalysis research, as most experiments provide ensemble-average information and cannot detect the crucial minority species that may be responsible for the catalytic activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

CLEAP Project: OR-SAGE Analysis for MT, UT, and CO States

The OR-SAGE tool is designed to use industry-accepted practices in screening sites and then employ the proper array of data sources through the considerable computational capabilities of GIS technology available at ORNL. The tool was developed to screen the potential for NPP siting on a national and regional basis. However, because of the tool granularity, it is often focused specifically on the immediate area around user sites of interest. If data center siting parameters can be added to OR-SAGE, the ability to evaluate data center siting on a localized scale will be beneficial.1 More than 60 data sets have been collected and processed by ORNL to develop exclusionary, avoidance, and suitability criteria for screening sites for a variety of power generation types, including nuclear power plants. Available site evaluation parameters include population density, slope, seismic activity, proximity to cooling-water sources, proximity to hazard facilities, avoidance of protected lands and floodplains, susceptibility to landslide hazards, and many others. All siting parameters should be considered as flags to inform siting decisions and should not be used to rule in or rule out any NPP site. Once data center siting parameters are identified, appropriate data sets will be collected and processed. The OR-SAGE process is very versatile. Essentially, OR-SAGE is a visual, relational database. The database partitions the contiguous United States, a total of 720 million hectares (~1.8 billion acres), into 100-m by 100-m (1 hectare or ~2.5 acre) cells. The database is tracking just under 700 million individual land cells. Successive suitability criterion is applied to each cell in the database. User-specified thresholds can be applied to each siting parameter data layer. In this manner, a variety of scenarios can be quickly and thoroughly evaluated. Data can be added and/or revised within OR-SAGE to address user interests. Siting security assessment capability is currently being added to OR-SAGE. Security is expected to be of concern at data centers whether it is collocated with a nuclear power generating technology or not. If data center is collocated with a nuclear power generating source, the security threat attractiveness level of both will likely increase. It will be of additional benefit if a potential data center site is also assessed for security vulnerability.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Stability boundary and optimal operating parameter identification in milling using Bayesian learning

Here, this paper describes a novel Bayesian learning approach for stability boundary and optimal parameter identification in milling without the knowledge of the underlying tool dynamics or material cutting force coefficients. The paper is divided into two parts. First, a Bayesian learning method for stability lobe identification using test results is described. Each axial depth and spindle speed combination is characterized by a probability of stability which is updated using Bayes’ rule when a test result (stable or unstable) is made available. A novel likelihood function is defined which incorporates knowledge of the stability behavior. Numerical results show convergence to the analytical stability lobe diagram. Second, an adaptive experimental strategy to identify optimal operating parameters that maximize material removal rate is described. Numerical evaluation shows convergence to the optimal operating point with error less than 15 % within ten tests on average. The approach is validated using experimental results. Results show that the proposed method is an efficient and robust learning method to identify the stability lobe diagram and optimal operating parameters with a limited number of tests/data points.

Bayesian machine learning↗

DOE OSTI2025

Final Search for Short-Baseline Neutrino Oscillations with the PROSPECT-I Detector at HFIR

The PROSPECT experiment is designed to perform precise searches for antineutrino disappearance at short distances (7–9 m) from compact nuclear reactor cores. This Letter reports results from a new neutrino oscillation analysis performed using the complete data sample from the PROSPECT-I detector operated at the High Flux Isotope Reactor in 2018. The analysis uses a multiperiod selection of inverse beta decay neutrino interactions with reduced backgrounds and enhanced statistical power to set limits on electron neutrino disappearance caused by mixing with sterile neutrinos with 0.2–20 eV 2 mass splittings. Inverse beta decay positron energy spectra from six different reactor-detector distance ranges are found to be statistically consistent with one another, as would be expected in the absence of sterile neutrino oscillations. The data excludes at 95% confidence level the existence of sterile neutrinos in regions above 3 eV 2 previously unexplored by terrestrial experiments, including all space below 10 eV 2 suggested by the recently strengthened Gallium Anomaly. The best-fit point of the Neutrino-4 reactor experiment’s claimed observation of short-baseline oscillation is ruled out at more than 5 standard deviations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Noise and error analysis and optimization in particle-based kinetic plasma simulations

In this paper we analyze the noise in macro-particle methods used in plasma physics and fluid dynamics, leading to approaches for minimizing the total error, focusing on electrostatic models in one dimension. We begin by describing kernel density estimation for continuous values of the spatial variable x, expressing the kernel in a form in which its shape and width are represented separately. The covariance matrix of the noise in the density is computed, first for uniform true density. The bandwidth of the covariance matrix C(x,y) is related to the width of the kernel. A feature that stands out is the presence of constant negative terms in the elements of the covariance matrix both on and off-diagonal. These negative correlations are related to the fact that the total number of particles is fixed at each time step; they also lead to the property ∫C(x,y)dy = 0. We investigate the effect of these negative correlations on the electric field computed by Gauss's law, finding that the noise in the electric field is related to a process called the Ornstein-Uhlenbeck bridge, leading to a covariance matrix of the electric field with variance significantly reduced relative to that of a Brownian process. For non-constant density, p(x), still with continuous x, we analyze the total error in the density estimation and discuss it in terms of bias-variance optimization (BVO). For some characteristic length l, determined by the density and its second derivative, and kernel width h, having too few particles within h leads to too much variance; for h that is large relative to l, there is too much smoothing of the density. The optimum between these two limits is found by BVO. For kernels of the same width, it is shown that this optimum (minimum) is weakly sensitive to the kernel shape. Next, we repeat the analysis for x discretized on a grid. In this case the charge deposition rule is determined by a particle shape. An important property to be respected in the discrete system is the exact preservation of total charge on the grid; this property is necessary to ensure that the electric field is equal at both ends, consistent with periodic boundary conditions. We find that if the particle shapes satisfy a partition of unity property, the particle charge deposited on the grid is conserved exactly. Further, if the particle shape is expressed as the convolution of a kernel with another kernel that satisfies the partition of unity, then the particle shape obeys the partition of unity. This property holds for kernels of arbitrary width, including widths that are not integer multiples of the grid spacing. Furthermore, we show results relaxing the approximations used to do BVO optimization analytically, by doing numerical computations of the total error as a function of the kernel width, on a grid in x. The comparison between numerical and analytical results shows good agreement over a range of particle shapes. We discuss the practical implications of our results, including the criteria for design and implementation of computationally efficient particle shapes that take advantage of the developed theory.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Closing the Loops on Solar Photovoltaics Modules: An Agent-Based Modeling Approach for the Study of Circular Economy Strategies

Solar photovoltaics (PV) installed capacity have grown exponentially since the early 2000s (average annual growth rate of 50%). With 4,700 GW projected installed capacity by 2050, the volume of PV panels waste is also expected to become substantial. Though renewables are a sine qua non to the establishment of a truly circular economy (CE), the issue arising from their end-of-life management needs to be resolved. The management of PV end-of-life also represent a singular opportunity to create value, from recovered valuable, rare or critical materials (e.g. silver, tellurium, indium). Moreover, the PV case illustrates some of the current barriers to CE; for instance, the need for a common definition of waste (PV are defined as e-waste in the European Union but as general waste in the United States) and potential loss of innovations' advantages (PV average efficiency has continuously grown the past 10 years). In this study, an agent-based modeling (ABM) approach is proposed to simulate PV end-of-life management in the United States. The model explores how the decisions of the various actors involved in handling PV waste affect the quantities of PV that are reused, recycled, or land-filled. In the model, manufacturers, residential, and nonresidential PV owners, installers, and recyclers are represented by agents while governmental policies and regulations are treated as exogenous variables. PV-market data are used to define agents' characteristics (e.g., installed PV capacities or producing costs). Agents' decision rules draw on the literature related to industrial symbiosis (IS) and peoples' waste behaviors as they appear as the most widely used model to implement CE principles at a meso level. Specifically, the concepts of mutual trust between IS actors and knowledge about the IS philosophy are yielded to define the agents' decision process. The primary outputs of the ABM are the costs and volume of waste associated with each end-of-life pathway. Preliminaries results indicate recycling of residential PV is affected by the cost, perceived difficulty of recycling behaviors, and social norms. Moreover, the type of network connecting agents and the initial recycling rate strongly influence results. The model also highlights the crucial role of recycling behavior adoption: in case of early failure of PV, recycled volumes increase by about 40%. This represents an additional 5.7 billion USD from potential recovered silver. Finally, although results for the PV case are presented here, the developed ABM aims at being a general tool for the study of CE strategies and the CE transition. Furthermore, steps of this research include extending the model to encompass circular economy strategies (e.g., design for recycling or lifetime extension) and validating its general architecture from various case studies.

14 SOLAR ENERGY↗

DOE OSTI2023

ASME Code Qualification Plan for LPBF 316 SS

This report describes a plan to qualify laser powder bed fusion (LPBF) 316 stainless steel for use with the American Society of Mechanical Engineers (ASME) Boiler & Pressure Vessel Code Section III, Division 5 rules for metallic components in high temperature nuclear reactors. Accomplishing this goal would make the material and manufacturing process available to vendors for inclusion in the next generation of advanced, high temperature reactors. The general approach adopted here is to treat LPBF 316 as if it was a completely new material and to develop a plan to qualify the material according to the current ASME practices. One key goal of this work is to explore and develop accelerated qualification approaches that might reduce the time required to qualify new materials by reducing the need for long term testing. However, the qualification plan here does not employ any accelerated qualification approaches to provide a limiting, bounding description of the number, duration, and types of testing required to qualify LPBF 316 without such techniques and to describe a comprehensive dataset that could be used to explore and validate accelerated qualification approaches in the future. The report addresses the fundamental challenges to qualifying Advanced Manufacturing (AM) materials for high temperature applications and summarizes the ASME Section III qualification process as well as current efforts to qualify LBPF and DED 316 for low temperature applications. The report then discusses specific issues, both material and logistical, related to qualifying PBF 316 steel. The final chapters of the report describe a complete test plan designed to generate sufficient data to qualify the material as well as a data management plan for how to store and manage the data to eventually provide the test data packaged needed to qualify the material with ASME.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

First Principle based Thermal Conductivity Modeling of Metal Alloys with Applications on Uranium Alloys

Thermal conductivity is an important materials property related to heat transport, which is essential to many applications, ranging from thermoelectrics to nuclear reactor materials. High- quality thermal conductivity data is critical to these materials and their associated technologies, including the nuclear fuel materials like traditional oxide fuels and metallic uranium (U) fuels, e.g. U-Zr and U-Mo alloys. And thermal conductivity modeling is widely used to interpolate or extrapolate experimental data, to obtain high-quality thermal conductivity data over wide temperature and composition range, and to understand the impacts of different factors including defects and microstructures. However, a general thermal conductivity model for metal alloys which can work regrading different phase components is still missing. Also, for U alloys, a thermal conductivity model working with different phases is needed. Therefore, in this work, we developed thermal conductivity models for metal alloys, based on ab-initio calculations, semi-classical physics rules, and limited experimental data. The goals of these models are to help obtain high- quality thermal conductivity data within a little experimental input as possible, have models that are extendable to varying microstructures, including different types of irradiation effects, and provide mechanistic understanding of heat transfer in the modeled alloys. In this work, our model solves several challenges in the development. The DFT-BTE approach is applied to decrease the reliance on experimental data and make the model extendable to composition changes and defects. A practical and efficient way to combine the DFT inputs with physics rules is pointed out in this work too. A staged approach, which starts from simple cases of elemental metals, then extends to solid solutions, different compound phases, and multi-phase mixtures, is presented to work with the metal alloys in different phase components. Our models are demonstrated respectively on aU for elemental metal model, on U-Zr and U-Mo alloys in aU temperature range for multi-phase mixture model, on high-temperature U-Zr, U-Nb, and U-Mo alloys in the body-centered cubic phase for concentrated solid solution model, and on irradiated U-Mo alloys for irradiated metal alloy model. All models show great agreement with experimental data. In these demonstrations, our model shows its advantages compared to previous empirical fitting model. Our model requires fewer experimental data, due to the inputs from DFT. The quantitative insights into the different physical factors are provided in our model, as it incorporates the electron and phonon scattering mechanisms. Our model also can be extended to incorporate the contributions of point defects, grain boundaries, and noble gas bubbles, to integrate their effects on heat transfer. This model can serve as both a foundation for understanding the more complex thermal conductivity of realistic U alloy fuels and a useful tool to guide further modeling of thermal conductivity to aid materials and device design.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Customer outcomes in Pay-As-You-Save programs

We review the energy and financial outcomes of households participating in several programs based on successive versions of the Pay As You Save¯ (PAYS¯) system. PAYS¯ programs offer non-debt financing for energy efficiency (and sometimes other technologies) in residential buildings through a tariff attached to the home’s utility meter, designed to be offset by project savings. We find that the five programs we study generally serve customers living in zip codes with levels of income and education below the national average and unemployment rates above the national average, demonstrating their potential to improve equity in energy efficiency adoption. Using weather-normalized analysis of energy consumption data, we show that most customers of Midwest Energy’s program reduce annual electricity and gas consumption, averaging 15% and 26% reductions respectively. Changes in energy consumption calculated using this method represent a combination of project effects and changes in occupant behavior. These results are similar to existing analyses of PAYS¯ programs in North Carolina, Arkansas, and Tennessee. About half of participating Midwest households generate sufficient energy cost savings to cover their monthly tariff. Various factors, including changes in occupant behavior, program error, causes independent of the customer or program, or some combination thereof may explain lower-than-expected cost reductions in some projects. Given the inherent variability in annual household electricity consumption, we feel these programs are enabling energy efficiency improvements and their attendant co-benefits, including occupant health and comfort and reduced carbon emissions, while reasonably balancing energy savings and tariff costs. Pairing PAYS¯ with additional financial assistance, as well as promoting cost-effective measures such as air and duct sealing, could further broaden program participation by enabling additional projects to meet PAYS¯ program eligibility rules.

Deason, Jeff↗

DOE OSTI1994

Nuclear Safety [Vol. 35, No. 2, July-December 1994]

Nuclear Safety is a journal that covers significant issues in the field of nuclear safety. Its primary scope is safety in the design, construction, operation, and decommissioning of nuclear power reactors worldwide and the research and analysis activities that promote this goal, but it also encompasses the safety aspects of the entire nuclear fuel cycle, including fuel fabrication, spent-fuel processing and handling, and nuclear waste disposal, the handling of fissionable materials and radioisotopes, and the environmental effects of all these activities. Table of Contents for this issue follows. GENERAL SAFETY CONSIDERATIONS: 179 Consideration of Postaccident Consequences in the Determination of Safety Objectives for Future Nuclear Power Plants in France, D. Queniart, A. Sugier, and J. Lochard; ACCIDENT ANALYSIS: 187 Nuclear Safety Research: The Phebus FP Severe Accident Experimental Program, P. von der Hardt, A. V. Jones, C. Lecomte, and A. Tattegrain; 205 Containment Performance Analysis of the Advanced Neutron Source Reactor at the Oak Ridge National Laboratory, S. H. Kim, R. P. Taleyarkhan, and V. Georgevich; 213 Assessment of Fission Product Deposits in the Reactor Coolant System: The DEVAP Program, G. Le Marois and M. Megnin; 222 Erratum to “A Review of the Available Information on the Triggering Stage of a Steam Explosion," Vol. 35, No. 1, CONTROL AND INSTRUMENTATION: 223 Effects of Normal Aging on Calibration and Response Time of Nuclear Plant Resistance Temperature Detectors and Pressure Sensors, H. M. Hashemian; DESIGN FEATURES: 235 Defense in Depth Against the Hydrogen Risk—A European Research Program, F. Fineschi; ENVIRONMENTAL EFFECTS: 246 Technical Note: A Preliminary Analysis of the Risks to Hong Kong Resulting from Potential Accidents of Daya Bay Nuclear Power Plant, Z. Shi and X. Wei; OPERATING EXPERIENCES: 253 Reactor Shutdown Experience, Compiled by J. W. Cletcher; SPECIAL SECTION ON TMI-2 VESSEL INVESTIGATION PROJECT: 256 Three Mile Island—New Findings 15 Years After the Accident A. M. Rubin and E. Beckjord; 269 Relocation of Molten Material to the TMI-2 Lower Head, J. R. Wolf, D. W. Akers, and L. A. Neimark; 280 Insight Into the TMI-2 Core Material Relocation Through Examination of Instrument Tube Nozzles, L. A. Neimark; 288 Physical and Radiochemical Examinations of Debris from the TMI-2 Lower Head, D. W. Akers and B. K. Schuetz; 301 Results of Metallographic Examinations and Mechanical Tests of Pressure Vessel Samples from the TMI-2 Lower Head, D. R. Diercks and G. E. Korth; 313 Margin-to-Failure Calculations for the TMI-2 Vessel, J. Rempe, L. Stickler, S. Chavez, G. Thinnes, R. Witt, and M. Corradini; U.S. NUCLEAR REGULATORY COMMISSION INFORMATION AND ANALYSES: 328 1993 Accident Sequence Precursor (ASP) Program Results, L. N. Vanden Heuvel, J. W. Cletcher, D. A. Copinger, J. W. Minarick, B. W. Dolan, and P. D. O’Reilley; RECENT DEVELOPMENTS: 339 Reports, Standards, and Safety Guides, D. S. Queener; 345 Proposed Rule Changes as of June 30, 1994; ANNOUNCEMENTS: 234 Thirty-First Annual Meeting of the National Council on Radiation Protection and Measurements; 356 1995 International Incineration Conference; 358 Fifth International Controls and Instrumentation Conference; 359 ANS International Topical Meeting on Safety of Operating Reactors; 359 Fifth International Conference on Nuclear Criticality Safety; 360 International Conference on Probabilistic Safety Assessment Methodology and Applications; 351 The Authors; 357 Reviewers of Nuclear Safety, Vol. 35.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Vivianite oxidation is not photocatalyzed

Vivianite is a hydrous Fe2+ phosphate mineral found in anoxic environments that plays an integral role in P cycling and environmental biogeochemistry. Imbued in the vivianite literature dating as far back as 1918 is the notion that vivianite is light-sensitive and susceptible to rapid photooxidation induced entirely by solar light. However, despite an exhaustive search, to our knowledge this conventionally accepted assumption has never been directly tested, nor has the band gap ever been measured. Resolving this question of photochemical control of vivianite redox chemistry is important for performing and interpreting experiments involving vivianite reactivity with contaminants, and potentially iron and phosphate cycling in the photic zone of aquatic systems. The present study was specifically designed to add¬ress this question. Pure synthetic vivianite samples were irradiated in aqueous suspensions with a Xe lamp at conditions mimicking the solar spectrum and compared to dark controls. Particles stirred in anoxic suspensions for up to 66 days showed no detectable oxidation irrespective of light exposure, according to colorimetric Fe2+/Fe3+ assays, micro X-ray diffraction, and Raman spectroscopy. In contrast, the same experiment performed using air-equilibrated suspensions showed systematic oxidation of up to ~80% mol% Fe(II) at 66 days, but again with no detectable light exposure effect. To test for UV reactivity, further experiments on vivianite powders under air versus N2 atmosphere were performed using a Hg lamp with a longpass filter. In contrast to oxidation in air where no effect of light was detected, after 24 hrs irradiation anoxically, 0.78% Fe was oxidized compared to dark controls, and after 13 days only an additional 0.3% Fe was oxidized. The band gap of pure vivianite was measured by the Tauc method to be 3.5 eV. Contrary to previous reports, solar light has minimal impact on the oxidation of pure vivianite, insignificant in particular when compared to its relatively fast oxidation by oxygen exposure. As such, light does not need to be excluded when running typical vivianite laboratory experiments. Long-term storage of natural vivianite in museums or private collections should continue protective measures given that a possible photocatalytic role of impurities cannot yet be ruled out. Nonetheless, at all depths in natural aquatic systems it appears that the primary abiotic control on the reactivity and half-life of vivianite particles should be the dissolved oxygen concentration, not light exposure.

Vivianite, photochemistry, oxidation↗

DOE OSTI2024

End-Use Savings Shapes Measure Documentation: Dispatch Schedule Generation for Demand Flexibility Measures

This supplemental document describes the methodology used for determining the dispatch timing of various EUSS demand flexibility measures. Demand flexibility measures are designed to reduce/dispatch electricity demand in buildings during especially beneficial/critical times. The method used in this work utilizes predictions of building loads to generate a schedule that reflects the periods when the building's daily peak load occurs to support decision making in demand flexibility measures. The dispatch schedule generation method described in this document creates an hourly schedule that includes a load dispatch (peak) window for each day for a whole year based on load prediction, with options using different prediction methods: perfect prediction, bin-sampling method, fixed schedule, and outdoor air temperature (OAT)-based prediction method. The perfect prediction method performs a simulation to obtain the annual load profile as predicted load, representing the scenario of perfect load prediction. The bin-sampling method (1) categorizes days into representative bins by temperature characteristics, (2) performs simulations on sample days from each of those bins to create representative (or predicted) load, and (3) assigns representative loads for all days in a year based on the bin categorization. The fixed schedule method defines uniform start and end time of peak window with assumed fixed daily peak time, for all days in a season or a year. The OAT-based prediction method uses the statistics of OAT (minimum and maximum) as the indicators of peak load, with specified delay response time from building loads to temperature. Given the load prediction, daily peak periods are determined as a time window with specified length in each day that include the predicted daily peak load and with a secondary rule such as maximizing energy saving potential. The dispatch schedule generation method is not a standalone measure and is intended to be combined with other demand flexibility measures that could leverage the peak schedule and apply demand controls on specific systems or devices for demand response, such as measures described in "Measure Documentation - Thermostat Control for Load Shedding" and "Measure Documentation - Thermostat Control for Load Shifting".

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2023

Third-Party Aggregation Rulemaking in MISO and SPP Footprints

The report highlights key considerations for retail regulators in the footprints of the Southwest Power Pool (SPP) or Midcontinent Independent System Operator (MISO) in states that previously opted out of allowing third-party aggregation participation under FERC Order 719 and that may want to explore reversing the decision due to a changing policy environment under new FERC orders (i.e., 2222) and/or tightening resource adequacy constraints. Through a document review and a series of 27 interviews with regulators, aggregators, and other industry professionals, this document provides a high-level policy overview of the retail regulator’s role in a selection of processes, rules, and regulations to better understand how states have treated and/or integrated aggregators into wholesale markets. The report summarizes findings in two sections: General Findings and Specific Policy Findings. The General Findings offer high level takeaways such as the fact that 17 of the 20 states in MISO and SPP footprints opted out of third party aggregations following Order 719. Additionally, there is only one state that is fully restructured in the MISO and SPP footprints whereas the rest are vertically integrated, and the majority of third-party aggregations in the U.S. take place in restructured states outside of these footprints. Even so, third-party aggregations do take place in MISO and SPP albeit in small numbers and in an ad hoc regulatory environment. The specific policy findings delve deeper into specific examples of state actions on the topics of jurisdiction, registration and licensing, data governance, dual participation, and dispute resolution. Tables in each category organize state actions into Tiers I-III, which roughly correspond to the possible level of involvement or possible change necessary by state regulators and/or legislators to implement these actions. The tier level does not indicate any value judgement, as each state has respective regulatory limitations and each decision comes with various tradeoffs. One main tradeoff is between simplicity and quick implementation versus comprehensive and prolonged implementation. In many cases, actions in Tier I could be implemented without significant changes by relying on the use of existing processes for an aggregator context. On the other hand, many actions in Tier III are more narrowly designed to address aggregators specifically, but often require more significant changes including the involvement of additional parties through stakeholder engagement or legislative action. In some cases, these tiers are discrete. However, state regulators may also choose to progress through these various tiers sequentially as they phase in aggregators while learning from their experience. With the ability to stack bulk system level services, distributed energy resource aggregations in MISO and SPP could provide various private benefits (e.g., increased value streams to the owner) as well as societally beneficial grid services (e.g., peaking capacity, ancillary services, and other services that increase the grid’s overall operational efficiency). In deciding how to best to enable these benefits, states and retail regulators must weigh various tradeoffs if considering reversing a previous opt out.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2024

Drop Analysis of a Department of Energy Standard Canister Containing Fort Saint Vrain SNF– 24138

DOE manages over 300 types of SNF, many of which are located at the INL site. Managing this large variety of SNF for storage, transportation, and disposal poses a challenge to DOE. The Idaho Cleanup Project and INL are collaborating on the DOE SNF Road-Ready Demonstration (“Road-Ready Demonstration”), which will develop and demonstrate the designs, technology, processes, and regulatory framework for packaging DOE-managed SNF for “road-ready dry storage.” Road-ready dry storage (RRDS) is an SNF management concept in which SNF is packaged into dry, sealed canisters that are then placed in on-site storage in anticipation of later transport and disposition. The forward-looking goal of the Road-Ready Demonstration is to establish the foundation for a large-scale RRDS program at the INL site. One critical aspect of RRDS is the ability to certify the DOE Standard Canister and its associated transportation package in accordance with 10 CFR 71 for offsite transportation. Depending on the SNF type and transportation strategy, DOE Standard Canisters may be required to maintain structural integrity under hypothetical accident scenarios (e.g., drop events). The DOE Standard Canisters have been tested and analyzed under various SNF loading configurations and accident drop events in support of the Idaho Spent Fuel Facility and other DOE programs; however, no analysis has yet been completed in support of the recently initiated Road-Ready Demonstration. This paper presents preliminary results from a finite element analysis of the Ø45.7 cm × 4.6 m (Ø18 in. × 15 ft) DOE Standard Canister under the 9 m drop at 80 degrees off-vertical drop scenario considered in previous INL tests and analyses. It considers the Fort St. Vrain spent nuclear fuel loading configuration proposed for the Road-Ready Demonstration, uses updated material properties, and applies the strain-based acceptance criteria established in ASME Boiler and Pressure Vessel Code’s Section III, Division 3 rules for storage and transportation spent nuclear fuel containments. This updated analysis is compared to previous DOE Standard Canister drop analyses. Preliminary results from the updated analysis show that certain regions of the containment exceed the allowable limits during the accidental drop event. However, these regions are limited to components performing a non-structural function. While further work on this analysis will be pursued, this analysis serves as the foundation for formal calculations used to support applicable certification efforts of the RRDS system at INL.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

Drop Analysis of a Department of Energy Standard Canister Containing Fort Saint Vrain SNF

DOE manages over 300 types of SNF, many of which are located at the INL site. Managing this large variety of SNF for storage, transportation, and disposal poses a challenge to DOE. The Idaho Cleanup Project and INL are collaborating on the DOE SNF Road-Ready Demonstration (“Road-Ready Demonstration”), which will develop and demonstrate the designs, technology, processes, and regulatory framework for packaging DOE-managed SNF for “road-ready dry storage.” Road-ready dry storage (RRDS) is an SNF management concept in which SNF is packaged into dry, sealed canisters that are then placed in on-site storage in anticipation of later transport and disposition. The forward-looking goal of the Road-Ready Demonstration is to establish the foundation for a large-scale RRDS program at the INL site. One critical aspect of RRDS is the ability to certify the DOE Standard Canister and its associated transportation package in accordance with 10 CFR 71 for offsite transportation. Depending on the SNF type and transportation strategy, DOE Standard Canisters may be required to maintain structural integrity under hypothetical accident scenarios (e.g., drop events). The DOE Standard Canisters have been tested and analyzed under various SNF loading configurations and accident drop events in support of the Idaho Spent Fuel Facility and other DOE programs; however, no analysis has yet been completed in support of the recently initiated Road-Ready Demonstration. This paper presents preliminary results from a finite element analysis of the Ø45.7 cm × 4.6 m (Ø18 in. × 15 ft) DOE Standard Canister under the 9 m drop at 80 degrees off-vertical drop scenario considered in previous INL tests and analyses. It considers the Fort St. Vrain spent nuclear fuel loading configuration proposed for the Road-Ready Demonstration, uses updated material properties, and applies the strain-based acceptance criteria established in ASME Boiler and Pressure Vessel Code’s Section III, Division 3 rules for storage and transportation spent nuclear fuel containments. This updated analysis is compared to previous DOE Standard Canister drop analyses. Preliminary results from the updated analysis show that certain regions of the containment exceed the allowable limits during the accidental drop event. However, these regions are limited to components performing a non-structural function. While further work on this analysis will be pursued, this analysis serves as the foundation for formal calculations used to support applicable certification efforts of the RRDS system at INL.

42 ENGINEERING↗