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High fidelity multiphysics tightly coupled model for a lead cooled fast reactor concept and application to statistical calculation of hot channel factors

A tightly coupled multiphysics code system is established using the MOOSE framework for hot channel factor (HCF) evaluation on a Lead Fast Reactor (LFR) concept. The coupled system is driven by the Griffin multiphysics coupling capability under which the MOOSE Heat Transfer module and NekRS computational fluid dynamics solver are coupled for conjugate heat transfer using the Cardinal application. The coupled capability is demonstrated on an LFR assembly model based on materials and geometry of a prototypical lead-cooled fast reactor design by Westinghouse Electric Company, LLC. Moreover, the work integrates the Multiphysics Object Oriented Simulation Environment (MOOSE) Stochastic Tools Module (STM) to perform calculations for statistical analysis of HCF. Furthermore, the coupling strategy and workflow demonstrated in this paper is not only useful for predicting accurate hot channel factors for different kinds of advanced reactors but also for other engineering applications such as control rod worth assessment, generation of high-fidelity database for Artificial intelligence (AI)/machine learning (ML) training, design optimization and multi-resolution modeling.

Cardinal↗

Retrofit-ability: A supplementary metric to inform energy efficiency policies and programs

Building Energy Use Intensity (EUI) has been commonly used to facilitate policy makers and utilities to design energy efficacy programs and help building managers prioritize investment in building upgrades. Buildings with higher EUIs are usually chosen as better candidates for retrofit. Our study of nearly one hundred buildings in Seattle’s Building Tune Up Accelerator program and thousands of buildings in the Asset Score database reveals that EUI (after weather/location/use type normalization) alone is not the best indicator of a building’s potential to save energy, especially for those buildings in the mid-range (30-70 percentile EUI). In this paper, we introduce the concept of “retrofit-ability” — a building’s real potential to reduce its energy use cost-effectively — as a supplementary metric to inform energy efficiency policy and investment. Currently, such potential analyses are predicted for a building stock using prototypical building models or statistical data. However, typical buildings or general historical data may not sufficiently represent building configurations in a portfolio and predict their saving potentials. We utilized machine learning to investigate how key building characteristics (such as envelope attributes, HVAC type, location, use type, etc.) affect a building’s improvement potentials and developed a low-cost method to quantify such potentials for a portfolio of buildings. The supplementary perspective provided by “retrofit-ability” highlights which building assets correlate most with a building’s energy savings potential across region, building use type and more.

Wang, Na↗

DUNE Rucio Server Scalabiilty Studies

The DUNE collaboration has an ongoing production effort to simulate the full detectors and to analyze the various prototypes that are currently running. Rucio is used to manage the 40PB of files made to date. When 500 or more jobs were sending output to Rucio simultaneously via Rucio upload, we observed timeouts, unhandled exceptions, and Rucio server restarts due to slow performance. In collaboration with the core Rucio team we did a full review of the Rucio upload code and identified several optimizations that can be made. We also have deployed the Ingress load balancer in front of our Rucio servers and added a database connection pooling utility. These changes led to significant improvement both in reliability and scalability, yet we anticipate even better performance will eventually be required. We describe in this paper the initial state of the system, the various debugging processes that were used, and our plans to further improve scalability.

Calcutt, J. [Brookhaven Natl. Lab.]↗

Machine Learning and Social Media to Mine and Disseminate Big Scientific Data

One of the challenges in supplying the communities with wider access to scientific databases is the need for knowledge of database languages like Structured Query Language (SQL). Although the SQL language has been published in many forms, not everybody is able to write SQL queries. Another challenge is that it might not be practical to make the public aware of the structure of databases. There is a need for novice users to query relational databases using their natural language. To solve this problem, many natural language interfaces to structured databases have been developed. The goal is to provide a more intuitive method for generating database queries and delivering responses. Through social media, which makes it possible to interact with a wide section of the population, and with the help of natural language processing, researchers at the Atmospheric Radiation Measurement (ARM) Data Center at Oak Ridge National Laboratory (ORNL) have developed a concept to enable easy search and retrieval of data from several environmental data centers for the scientific community through social media.Using a machine learning framework that maps natural language text to thousands of datasets, instruments, variables, and data streams, the prototype system would allow users to request data through Twitter and receive a link (via tweet) to applicable data results on the project's search catalog tailored to their key words. This automated identification of relevant data from various petascale archives at ORNL could increase convenience, access, and use of the project's data by the broader community. In this paper we discuss how some data-intensive projects at ORNL are using innovative ways to help in data discovery.

Devarakonda, Ranjeet↗

Coastal Ohio Wind Project

The Coastal Ohio Wind Project intends to address problems that impede deployment of wind turbines in the coastal and offshore regions of Northern Ohio. The project evaluates different wind turbine designs and the potential impact of offshore turbines on migratory and resident birds by developing multidisciplinary research, which involves wildlife biology, electrical and mechanical engineering, and geospatial science. Firstly, the project conducts cost and performance studies of two- and three-blade wind turbines using a turbine design suited for the Great Lakes. The numerical studies comprised an analysis and evaluation of the annual energy production of two- and three-blade wind turbines to determine the levelized cost of energy. This task also involved wind tunnel studies of model wind turbines to quantify the wake flow field of upwind and downwind wind turbine-tower arrangements. The experimental work included a study of a scaled model of an offshore wind turbine platform in a water tunnel. The levelized cost of energy work consisted of the development and application of a cost model to predict the cost of energy produced by a wind turbine system placed offshore. The analysis found that a floating two-blade wind turbine presents the most cost effective alternative for the Great Lakes. The load effects studies showed that the two-blade wind turbine model experiences less torque under all IEC Standard design load cases considered. Other load effects did not show this trend and depending on the design load cases, the two-bladed wind turbine showed higher or lower load effects. The experimental studies of the wake were conducted using smoke flow visualization and hot wire anemometry. Flow visualization studies showed that in the downwind turbine configuration the wake flow was insensitive to the presence of the blade and was very similar to that of the tower alone. On the other hand, in the upwind turbine configuration, increasing the rotor blade angle of attack reduced the wake size and enhanced the vortices in the flow downstream of the turbine-tower compared with the tower alone case. Mean and rms velocity distributions from hot wire anemometer data confirmed that in a downwind configuration, the wake of the tower dominates the flow, thus the flow fields of a tower alone and tower-turbine combinations are nearly the same. For the upwind configuration, the mean velocity shows a narrowing of the wake compared with the tower alone case. The downwind configuration wake persisted longer than that of an upwind configuration; however, it was not possible to quantify this difference because of the size limitation of the wind tunnel downstream of the test section. The water tunnel studies demonstrated that the scale model studies could be used to adequately produce accurate motions to model the motions of a wind turbine platform subject to large waves. It was found that the important factors that affect the platform is whether the platform is submerged or surface piercing. In the former, the loads on the platform will be relatively reduced whereas in the latter case, the structure pierces the wave free surface and gains stiffness and stability. The other important element that affects the movement of the platform is depth of the sea in which the wind turbine will be installed. Furthermore, the wildlife biology component evaluated migratory patterns by different monitoring systems consisting of marine radar, thermal IR camera and acoustic recorders. The types of radar used in the project are weather surveillance radar and marine radar. The weather surveillance radar (1988 Doppler), also known as Next Generation Radar (NEXRAD), provides a network of weather stations in the US. Data generated from this network were used to understand general migratory patterns, migratory stopover habitats, and other patterns caused by the effects of weather conditions. At a local scale our marine radar was used to complement the datasets from NEXRAD and to collect additional monitoring parameters such as passage rates, flight paths, flight directions, and flight altitudes of nocturnal migrating species. Our work focused on the design and development of custom built marine radar that used t-bar and parabolic dish antennas. The marine radar used in the project was Furuno (XANK250) which was coupled with a XIR3000B digitizing card from Russell Technologies for collection of the radar data. The radar data was processed by open source radR processing software using different computational techniques and methods. Additional data from thermal IR imaging cameras were collected to detect heat emitted from objects and provide information on movements of birds and bats, data which we used for different animal flight behavior analysis. Lastly, the data from the acoustic recorders were used to provide the number of bird calls for assessing patterns and peak passage rates during migration. The development of the geospatial database included collection of different data sources that are used to support offshore wind turbine development. Many different data sets were collected and organized using initial version of web-based repository software tools that can accommodate distribution of rectified pertinent data sets such as the lake depth, lake bottom engineering parameters, extent of ice, navigation pathways, wind speed, important bird habitats, fish efforts and other layers that are relevant for supporting robust offshore wind turbine developments. Additional geospatial products developed during the project included few different prototypes for offshore wind farm suitability which can involve different stakeholders and participants for solving complex planning problems and building consensus. Some of the prototypes include spatial decision support system (SDSS) for collaborative decision making, a web-based Participatory Geographic Information System (PGIS) framework for evaluating importance of different decision alternatives using different evaluation criteria, and an Android application for collection of field data using mobile and tablet devices . In summary, the simulations of two- and three-blade wind turbines suggested that two-bladed machines could produce comparable annual energy as the three-blade wind turbines but have a lighter tower top weight, which leads to lower cost of energy. In addition, the two-blade rotor configuration potentially costs 20% less than a three blade configuration that produces the same power at the same site. The cost model analysis predicted a potential cost savings of approximately 15% for offshore two-blade wind turbines. The foundation design for a wind turbine in Lake Erie is likely to be driven by ice loads based on the currently available ice data and ice mechanics models. Hence, for Lake Eire, the cost savings will be somewhat smaller than the other lakes in the Great Lakes. Considering the size of cranes and vessels currently available in the Great Lakes, the cost optimal wind turbine size should be 3 MW, not larger. The surveillance data from different monitoring systems suggested that bird and bat passage rates per hour were comparable during heavy migrations in both spring and fall seasons while passage rates were significantly correlated to wind directions and wind speeds. The altitude of migration was higher during heavy migrations and higher over water relative to over land. Notable portions of migration on some spring nights occurred parallel the shoreline, often moving perpendicular to southern winds. The birds approaching the Western basin have a higher propensity to cross than birds approaching the Central basin of Lake Erie and as such offshore turbine development might be a better option further east towards Cleveland than in the Western basin. The high stopover density was more strongly associated with migration volume the following night rather than the preceding night. The processed mean scalar wind speeds with temporal resolutions as fine as 10-minute intervals near turbine height showed that August is the month with the weakest winds while December is the month, which typically has the strongest winds. The ice data suggests that shallow western basin of Lake Erie has higher ice cover duration many times exceeding 90 days during some winters.

17 WIND ENERGY↗

Peak Ground Displacement Saturates Exactly When Expected: Implications for Earthquake Early Warning

The scaling of rupture properties with magnitude is of critical importance to earthquake early warning (EEW) systems that rely on source characterization using limited snapshots of waveform data. ShakeAlert, a prototype EEW system that is being developed for the western United States, provides real-time estimates of earthquake magnitude based on P-wave peak ground displacements calculated at stations triggered by the event. The algorithms used in ShakeAlert assume that the displacement measurements at each station are statistically independent and that there exists a linear and time-independent relation between log peak ground displacement and earthquake magnitude. Here we challenge this basic assumption using the largest dataset assembled for this purpose to date: a comprehensive database of more than 140,000 vertical-component waveforms from M4.5–M9 earthquakes occurring near Japan from 1997 through 2018 and recorded by the K-NET and KiK-net strong-motion networks. By analyzing the time-evolution of P-wave peak ground displacements for these earthquakes, we show that there is a break, or saturation, in the magnitude-displacement scaling that depends on the length of the measurement time window. We demonstrate that the magnitude at which this saturation occurs is well-explained by a simple and non-deterministic model of earthquake rupture growth. We then utilize the predictions of this saturation model to develop a Bayesian framework for estimating posterior uncertainties in real-time magnitude estimates.

58 GEOSCIENCES↗

Design of two-photon molecular tandem architectures for solar cells by ab initio theory

An extensive database of spectroscopic properties of molecules from ab initio calculations is used to design molecular complexes for use in tandem solar cells that convert two photons into a single electron–hole pair, thereby increasing the output voltage while covering a wider spectral range. Three different architectures are considered: the first two involve a complex consisting of two dye molecules with appropriately matched frontier orbitals, connected by a molecular diode. Optimized combinations of dye molecules are determined by taking advantage of our computational database of the structural and energetic properties of several thousand porphyrin dyes. The third design is a molecular analogy of the intermediate band solar cell, and involves a single dye molecule with strong intersystem crossing to ensure a long lifetime of the intermediate state. Based on the calculated energy levels and molecular orbitals, energy diagrams are presented for the individual steps in the operation of such tandem solar cells. We find that theoretical open circuit voltages of up to 1.8 V can be achieved using these tandem designs. Questions about the practical implementation of prototypical devices, such as the synthesis of the tandem molecules and potential loss mechanisms, are addressed.

14 SOLAR ENERGY↗

A Client/Server Architecture for Supporting Science Data Using EPICS Version 4

The Phase 1 grant that serves as a precursor to this proposal, prototyped complex storage techniques for high speed structured data that is being produced in accelerator diagnostics and beam line experiments. It demonstrates the technologies that can be used to archive and retrieve complex data structures and provide the performance required by our new accelerators, instrumentations, and detectors. Phase 2 is proposed to develop a high-performance platform for data acquisition and analysis to provide physicists and operators a better understanding of the beam dynamics. This proposal includes developing a platform for reading 109 MHz data at 10 KHz rates through a multicore front end processor, archiving the data to an archive repository that is then indexed for fast retrieval. The data is then retrieved from this data archive, integrated with the scalar data, to provide data sets to client applications for analysis, use in feedback, and to aid in identifying problem with the instrumentation, plant, beam steering, or model. This development is built on EPICS version 4 , which is being successfully deployed to implement physics applications. Through prior SBIR grants, EPICS version 4 has a solid communication protocol for middle layer services (PVAccess), structured data representation and methods for efficient transportation and access (PVData), an operational hierarchical record environment (JAVA IOC), and prototypes for standard structured data (Normative Types). This work was further developed through project funding to successfully deploy the first service based physics application environment with demonstrated services that provide arbitrary object views, save sets, model, lattice, and unit conversion. Thin client physics applications have been developed in Python that implement quad centering, orbit display, bump control, and slow orbit feedback. This service based architecture has provided a very modular and robust environment that enables commissioning teams to rapidly develop and deploy small scripts that build on powerful services. These services are all built on relational database data stores and scalar data. The work proposed herein, builds on these previous successes to provide data acquisition of high speed data for online analysis clients.

43 PARTICLE ACCELERATORS↗

Machine learning the metastable phase diagram of covalently bonded carbon

Abstract Conventional phase diagram generation involves experimentation to provide an initial estimate of the set of thermodynamically accessible phases and their boundaries, followed by use of phenomenological models to interpolate between the available experimental data points and extrapolate to experimentally inaccessible regions. Such an approach, combined with high throughput first-principles calculations and data-mining techniques, has led to exhaustive thermodynamic databases (e.g. compatible with the CALPHAD method), albeit focused on the reduced set of phases observed at distinct thermodynamic equilibria. In contrast, materials during their synthesis, operation, or processing, may not reach their thermodynamic equilibrium state but, instead, remain trapped in a local (metastable) free energy minimum, which may exhibit desirable properties. Here, we introduce an automated workflow that integrates first-principles physics and atomistic simulations with machine learning (ML), and high-performance computing to allow rapid exploration of the metastable phases to construct “metastable” phase diagrams for materials far-from-equilibrium. Using carbon as a prototypical system, we demonstrate automated metastable phase diagram construction to map hundreds of metastable states ranging from near equilibrium to far-from-equilibrium (400 meV/atom). We incorporate the free energy calculations into a neural-network-based learning of the equations of state that allows for efficient construction of metastable phase diagrams. We use the metastable phase diagram and identify domains of relative stability and synthesizability of metastable materials. High temperature high pressure experiments using a diamond anvil cell on graphite sample coupled with high-resolution transmission electron microscopy (HRTEM) confirm our metastable phase predictions. In particular, we identify the previously ambiguous structure of n -diamond as a cubic-analog of diaphite-like lonsdaelite phase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Technical Report

MEST has developed Materials Navigator, a machine-learning software tool, to extract/combine data from disparate sources of materials information, which can be used to make suggestions for new directions of search and discovery of materials. The goal is to create a flexible software which can help materials science researchers quickly focus on a small group of promising materials and conduct fewer and less expensive experiments for maximum impact. Materials domains of interest for the Materials Navigator include solid state electrolytes for batteries, materials for fuel cells, photovoltaics, caloric cooling materials, and permanent magnets. Our solution is useful to materials researchers in academics and industry. To date, the MEST team has already developed a prototype of the Materials Navigator, which can be used to visualize a large number of materials compounds in their “descriptor space” where materials properties are encoded in machine learning based quantities. We have used Materials Navigator to make a list of potential new materials for batteries. It has also led to the experimental discovery of a new tantalum oxide superconductor.

36 MATERIALS SCIENCE↗

Ratchet, swivel, tilt and roll: a complete description of subunit rotation in the ribosome

Protein synthesis by the ribosome requires large-scale rearrangements of the ‘small’ subunit (SSU; ~1 MDa), including inter- and intra-subunit rotational motions. However, with nearly 2000 structures of ribosomes and ribosomal subunits now publicly available, it is exceedingly difficult to design experiments based on analysis of all known rotation states. To overcome this, we developed an approach where the orientation of each SSU head and body is described in terms of three angular coordinates (rotation, tilt and tilt direction) and a single translation. By considering the entire RCSB PDB database, we describe 1208 fully-assembled ribosome complexes and 334 isolated small subunits, which span >50 species. This reveals aspects of subunit rearrangements that are universal, and others that are organism/domain-specific. For example, we show that tilt-like rearrangements of the SSU body (i.e. ‘rolling’) are pervasive in both prokaryotic and eukaryotic (cytosolic and mitochondrial) ribosomes. As another example, domain orientations associated with frameshifting in bacteria are similar to those found in eukaryotic ribosomes. Together, this study establishes a common foundation with which structural, simulation, single-molecule and biochemical efforts can more precisely interrogate the dynamics of this prototypical molecular machine.

59 BASIC BIOLOGICAL SCIENCES↗

Control-Agnostic Beam Instrumentation with Redis at the Core

Redis isn’t a database — it’s our protocol. Fermilab’s RedisAdapter provides a high-performance, control-system-agnostic bridge between digitized beam data and downstream consumers such as ACNET and EPICS. It forms the foundation of three new software components deployed across MicroTCA-based digitizers: GMMDM, a runtime for memory-mapped data movement from Zynq-based platforms; GRAFE, a front end for Redis-to-ACNET presentation; and GREFE, an EPICS IOC front end. Together, these tools enable modular, standardized instrumentation pipelines. Precision timing is handled via White Rabbit PPS distribution, allowing nanosecond-scale synchronization across crates. This architecture, originally prototyped in Booster BPM systems, is now deployed on modern hardware and designed to meet the performance, modularity, and scalability requirements of the PIP-II era.

Steinkamp, Derek [Fermilab] (ORCID:000900027228626↗

Analysis of Space-Conditioning Loads in Commercial Buildings

Space conditioning end-uses, which include heating, cooling, and ventilation, represent a significant fraction of commercial building energy use, with a wide variety of heating and cooling technology options available in the market. In the interest of improving the overall efficiency of heating, ventilation and air-conditioning (HVAC) technologies, governments, utilities and private sector entities have implemented a variety of market transformation policies that aim to influence consumer purchase decisions. To evaluate the costs and benefits of such programs, analysts typically postulate a hypothetical default equipment choice, and compare it to one that provides comparable service with lower energy and/or power use. The corresponding reduced operating cost provides a benefit that offsets the potential higher cost of improved efficiency. Typically, life-cycle cost or cash-flow analyses are used to quantify the net economic benefit. These analyses require the capability to assess how a given equipment design would perform across a broad range of characteristics, both of the building and of the local weather. While these assessments can be performed using customized building simulations, it is generally not practical to develop and validate detailed building simulation code to cover all the potential variations of equipment design and installation. An alternative, and somewhat simpler, approach is to solely use detailed building simulations to generate time series of heating and cooling loads in commercial buildings. These loads can then be used as input to more detailed, stand-alone engineering models that simulate HVAC system performance under different equipment designs. This approach was used to evaluate a range of high-efficiency commercial packaged air conditioner design options for the Department of Energy’s Appliance and Equipment Standards Program (DOE-EERE 2015). While there may be some loss of precision relative to full simulation, the accuracy of this approach is sufficient for practical applications of cost-benefit analysis. This report describes the development of a database of commercial building heating and cooling loads, generated using the EnergyPlus software package, a whole building energy use model supported by the Department of Energy (DOE-EERE 2020a). EnergyPlus takes as input a set of configuration files that describe the building itself (size, zoning, envelope characteristics, etc.) and the various systems within it (HVAC, lighting, water heating, etc.). This analysis uses a publicly available collection of commercial reference buildings (CRB), comprised of sixteen building types and three vintages (DOE-EERE 2020b; Deru et al 2011). Each building is simulated in eighteen different locations, covering a wide range of climatic conditions. The prototype building description files assign the type of HVAC equipment used, and capacities across climate zones.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Phase 1 Development Report for the SESSA Toolkit.

The Site Exploitation System for Situational Awareness ( SESSA ) tool kit , developed by Sandia National Laboratories (SNL) , is a comprehensive de cision support system for crime scene data acquisition and Sensitive Site Exploitation (SSE). SESSA is an outgrowth of another SNL developed decision support system , the Building R estoration Operations Optimization Model (BROOM), a hardware/software solution for data acquisition, data management, and data analysis. SESSA was designed to meet forensic crime scene needs as defined by the DoD's Military Criminal Investigation Organiza tion (MCIO) . SESSA is a very comprehensive toolki t with a considerable amount of database information managed through a Microsoft SQL (Structured Query Language) database engine, a Geographical Information System (GIS) engine that provides comprehensive m apping capabilities, as well as a an intuitive Graphical User Interface (GUI) . An electronic sketch pad module is included. The system also has the ability to efficiently generate necessary forms for forensic crime scene investigations (e.g., evidence submittal, laboratory requests, and scene notes). SESSA allows the user to capture photos on site, and can read and generate ba rcode labels that limit transcription errors. SESSA runs on PC computers running Windows 7, but is optimized for touch - screen tablet computers running Windows for ease of use at crime scenes and on SSE deployments. A prototype system for 3 - dimensional (3 D) mapping and measur e ments was also developed to complement the SESSA software. The mapping system employs a visual/ depth sensor that captures data to create 3D visualizations of an interior space and to make distance measurements with centimeter - level a ccuracy. Output of this 3D Model Builder module provides a virtual 3D %22walk - through%22 of a crime scene. The 3D mapping system is much less expensive and easier to use than competitive systems. This document covers the basic installation and operation of th e SESSA tool kit in order to give the user enough information to start using the tool kit . SESSA is currently a prototype system and this documentation covers the initial release of the tool kit . Funding for SESSA was provided by the Department of Defense (D oD), Assistant Secretary of Defense for Research and Engineering (ASD(R&E)) Rapid Fielding (RF) organization. The project was managed by the Defense Forensic Science Center (DFSC) , formerly known as the U.S. Army Criminal Investigation Laboratory (USACIL) . ACKNOWLEDGEMENTS The authors wish to acknowledge the funding support for the development of the Site Exploitation System for Situational Awareness (SESSA) toolkit from the Department of Defense (DoD), Assistant Secretary of Defense for Research and Engineering (ASD(R&E)) Rapid Fielding (RF) organization. The project was managed by the Defense Forensic Science Center (DFSC) , formerly known as the U.S. Army Criminal Investigation Laboratory (USACIL). Special thanks to Mr. Garold Warner, of DFSC, who served as the Project Manager. Individuals that worked on the design, functional attributes, algorithm development, system arc hitecture, and software programming include: Robert Knowlton, Brad Melton, Robert Anderson, and Wendy Amai.

Knowlton, Robert G.↗

Tools for Design and Scale-Up of Solar Thermochemical Reactors: Cooperative Research and Development Final Report, CRADA Number CRD-13-00530

NREL will be collaborating with the Participant on a United States - Australia Solar Energy Collaboration (USASEC) Project Number 1-USO034 "Tools for design and scale-up of solar thermochemical reactors." The grant funds for the Participant's 3.5 year project number 1-US034 commencing on 1 February 2013 have been awarded to the Participant by the Australian Renewable Energy Agency and NREL will be collaborating with the Participant during the final 28 months of this project. This project seeks to provide basic knowledge required to design solar thermochemical reactors able to perform the required energy conversions. In several proposed and demonstrated reactors, concentrated sunlight directly irradiates small solid particles suspended in fluid, enabling very high heat transfer rates to the particles which are the sites of chemical reaction. The reactors, therefore, involve the complex and couple dynamics of turbulent, chemically reacting, particle-laden flows and their interaction with concentrating solar radiation. A strong understanding of these coupled interactions will be crucial important in predicting and optimizing the performance of prototype reactors, but this understanding does not yet exist, since they have never been studied in any fundamental way. The project has a assembled an internationally leading team from The University of New South Wales (UNSW) and the University of Adelaide in Australia and the NREL in the United States to address this key gap in available know-how. The project will use U.S. Dept. of Energy (DOE) supercomputers, among the most powerful available worldwide, with cutting-edge software tools to perform first-principles simulations of the relevant interactions. These studies will be combined with detailed laser-based measurements in Australia to provide the first comprehensive databases concerning the governing phenomena in directly irradiated solar-thermochemical reactors. The outcomes will be the basic scientific knowledge, engineering knowhow and modeling tools necessary to design new reactor concepts and then scale up from the laboratory bench to practical size systems.

14 SOLAR ENERGY↗

A Vacuum Drying Study of Simulated Failed Nuclear Fuel (FY23)

This report documents work performed under the Office of Spent Fuel and Waste Disposition’s (SFWD’s) Spent Fuel and Waste Science and Technology program for the US Department of Energy (DOE) Office of Nuclear Energy (NE). This work was performed to fulfill Level 4 milestone M4SF-23OR010203013. Over the 70 years of light-water reactor (LWR) operation, fuel rod failures have occurred during reactor operation. Based on the Unified Database that SFWD maintains, there are ~5,400 LWR fuel rods that developed leaks during reactor operation of the >19 million rods operated. The Unified Database indicates that ~4,200 of these rods remain in the spent fuel pool, and ~1,200 are in dry storage canisters. It is expected that all failed rods are “waterlogged” in the spent fuel pool, meaning the inside of the rods contain some volume of water. There are two related objectives of this work. The first is to develop a simple and inexpensive experiment to better understand removal of water from inside failed spent nuclear fuel (SNF) rods, and the second is to develop a model to predict drying of simulated failed fuel in the simple experiment. Once a model captures the phenomenon in the simple experiment, it can be extended to predict drying under more prototypical conditions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

SMART-COM – Scalable Multi-Agent Adaptive Resolution Tools for Collaborative Outage Management

The purpose of this grant was to conduct scientific research and prototype applications to support NPP outage staff in their adaptive decision-making in efficient scheduling and resource allocation while preventing violation of safety technical specifications. The project contributed to scientific knowledge and engineering methods in (1) user interface design, (2) scheduling optimization and risk estimation, and (2) natural language processing that would benefit the nuclear power plants in minimizing schedule overruns and even unexpected shutdowns. The research team conducted site visits at a test reactor facility and an operating nuclear power plant to gather necessary information and inputs for research and development of a software application to support NPP staff in executing their outages. The final software application consisted of three modules. First, the natural language processing module supports interactive processing of technical documentation to build a database for outage staff to query non-permissible actions on system components. This module can alleviate outage staff from reviewing extensive documentation and minimize violation of technical specifications, especially in time-sensitive situations. Second, the schedule optimization module schedules outage activities and compute risk indices that outperform existing software and current practice. This module can reduce completion time of an outage that typically have too many activities for human to optimize based on current practice that does not apply the latest operations research. Finally, the visualization module presents progress and risk information of the overall outage and individual activities, as well as enabling access to the natural language processing and schedule optimization modules. This module can provide outage staff with situation awareness that are necessary to make risk-informed decisions in response to unexpected events during the execution of an outage.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Residential Building Energy Efficiency Field Studies: Low-Rise Multifamily

In recent years, the U.S. Department of Energy (DOE) has conducted a series of research studies to validate energy efficient building technologies in the field. Much of the work has focused on single-family construction, and some has also addressed commercial energy codes. The work detailed in this DOE-funded study (EE0007616) focuses on low-rise multifamily buildings (three stories or fewer above grade) in various regions of the United States, and reports on how state-level building codes are being implemented, both in terms of observed characteristics and also in terms of estimated energy impacts. Nearly 100 buildings across four states—Illinois, Minnesota, Oregon, and Washington—were sampled, which represent a range of climate types from mild temperature to very cold continental. Both common entry and outdoor entry buildings were included, and a parallel research project evaluated envelope air tightness and current still-evolving air tightness testing methods. Finally, a set of structured interviews of building designers and other relevant professionals was carried to out to gain more insight into this market. To the greatest extent possible, the methodology developed under the project for low-rise multifamily buildings mirrored the approach established by Pacific Northwest National Laboratory (PNNL) for single-family residential buildings (https://www.energy.gov/eere/buildings/downloads/residential-building-energy-code-field-study). This included the general approach to sampling, recruitment, and data collection, as well as data analysis and presentation. The range of permitting dates for the sites encompassed two energy code cycles in most regions. All states in the study had adopted a variation of the International Energy Conservation Code (IECC) for the structure of their state code. The low-rise multifamily occupancy presents a hybrid building type: most of the building’s conditioned floor area was covered by the residential chapter of the code while portions of the building (such as corridors and common spaces) fell under the commercial code chapter. The key items assessed in this work were: Building Shell—exterior wall insulation, ceiling insulation, foundation insulation, windows. Common Areas—HVAC and lighting. Living Units—lighting, ventilation. A few items were not assessed in detail, given their relative paucity in this occupancy type; these included duct leakage, pipe insulation, and hot water circulation controls. Building characteristics were collected via a combination of architectural, mechanical, electrical, and plumbing plan reviews and field inspections, and entered into a spreadsheet-based tool that was later queried to build a database. Data went through quality control both upon arrival and via a later semi-automated review and assurance process. Most of the data are presented graphically so that the reader can quickly assess compliance with the applicable energy codes (both by state and by code year). As a final step, EnergyPlus™ simulations were created for all buildings in the study to estimate both the as-found energy use intensity (EUI) and the energy and CO 2 that could be saved if features that were found to not meet code minimums were brought up to code. The savings estimates were tabulated for each of the four states in the study. The research team found that the single-family approach was largely applicable to low-rise multifamily buildings. This applies to both the data collection and the prototype EUI analysis. Most of the occupied space is living units and falls under residential energy codes, and many characteristics use similar envelope construction and relatively straightforward mechanical systems and lighting. One of the most challenging aspects of this work was to build an effective spreadsheet-based data collection instrument that could allow efficient collection of both building plan and field data. The research team is of the view that other methods could be equally effective if the work is done carefully with diligent quality control. The primary findings for the work center around the thermal envelope and mechanical systems and lighting at the sites: For thermal envelope components, the majority of buildings met or were better than the prescriptive code.This suggests that building designers and builders are aware of code requirements. In some cases, surveyed buildings were designed to qualify for energy efficiency certification programs. These buildings made up at least 20% of sampled buildings in each state. Almost all buildings met mechanical system efficiency requirements (for both living units and common areas). In some cases, sites employed systems that were considerably more efficient than required by the applicable energy code. Dwelling units had a majority of high-efficacy lighting, often in excess of the state’s residential code requirements. While high-efficacy fixtures were also typical in common areas (corridors and stairwells), lighting power densities (LPDs) in these areas were sometimes higher than levels dictated by the applicable part of the state commercial energy code. The simulation models run on a series of low-rise multifamily prototypes, informed by a composite of the field data collected, calculated annual EUIs of between 20 and 50 kBtu/ft2-yr, with the range representing the effects of both building characteristics and building location (climate zone). A detailed process (based on simulations of prototype buildings) was used to estimate the amount of avoided energy use that would occur if 100% adherence to energy codes were attained. The results indicated modest savings are attainable for items such as window thermal performance and common area lighting. The result is overall only a modest potential for additional energy savings, averaging about 10% of EUI.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗