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At least 307 records · Page 17

Efficient Reliability Analysis using Generalized Multifidelity Modeling and Explainable Active Learning

To assess the reliability of critical technologies like nuclear plants and infrastructure systems and improve the robustness of design, engineers have to quantify the uncertainties surrounding the system behavior accurately. However, the complexity of the problem can make standard reliability analysis algorithms prohibitively expensive, primarily due to the high computational cost of estimating the system response at each iteration. This cost can be greatly reduced by using multi-fidelity modeling and machine learning to build a surrogate model to replace the expensive response function. We propose a general and robust method for building surrogates from multiple Low Fidelity (LF) models coupled with machine learning to retain accuracy. Our framework first constructs “Corrected Low Fidelity models” (CLFs) by coupling a High Fidelity (HF) model inferred Gaussian Process correction term with each of the LF models. It then uses the correction terms to assign model probabilities to each of these CLFs in an explainable way before using them to assemble the final surrogate. No assumptions are made about the type of the LF models or their correlation with the HF model. The proposed surrogate modeling framework is used within the subset simulation algorithm (a variance-reduced MCMC-based reliability analysis algorithm) for enhanced efficiency. Additionally, an active learning step is added to the algorithm to adaptively decide when the surrogate is not sufficiently accurate, at which point the HF model is called and used to refine the surrogate. Through a frame buckling example, our method is shown to be highly efficient at reducing the expensive HF model calls while accurately estimating the failure probability.

97 MATHEMATICS AND COMPUTING↗

Building a More Diverse, Equitable, and Inclusive Energy Efficiency Workforce

The U.S. Department of Energy (DOE) Building Technologies Office (BTO) envisions a future where the U.S. building industry leads globally in delivering quality efficiency products and services to American consumers and businesses. One barrier to achieving this vision is the difficulty reported by energy efficiency employers in finding qualified candidates (NASEO and EFI 2020). However, this barrier also presents an opportunity for the industry to expand in a way that invites and supports a more diverse, equitable, and inclusive workforce. The scope of energy, climate, and technology challenges the country faces will require the talents of all Americans. The purpose of this study therefore is to identify key factors to creating successful workforce development and inclusion programs that will support the future of the building industry. These factors can be applied to individual companies, training programs, or broader industry efforts.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Mending cracks atom-by-atom in rutile TiO2 with electron beam radiolysis

Abstract Rich electron-matter interactions fundamentally enable electron probe studies of materials such as scanning transmission electron microscopy (STEM). Inelastic interactions often result in structural modifications of the material, ultimately limiting the quality of electron probe measurements. However, atomistic mechanisms of inelastic-scattering-driven transformations are difficult to characterize. Here, we report direct visualization of radiolysis-driven restructuring of rutile TiO 2 under electron beam irradiation. Using annular dark field imaging and electron energy-loss spectroscopy signals, STEM probes revealed the progressive filling of atomically sharp nanometer-wide cracks with striking atomic resolution detail. STEM probes of varying beam energy and precisely controlled electron dose were found to constructively restructure rutile TiO 2 according to a quantified radiolytic mechanism. Based on direct experimental observation, a “two-step rolling” model of mobile octahedral building blocks enabling radiolysis-driven atomic migration is introduced. Such controlled electron beam-induced radiolytic restructuring can be used to engineer novel nanostructures atom-by-atom.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Conceptual range estimation for total cost of ownership of modular process‐intensified chemical plants

Abstract Chemical companies have used modularization to reduce capital costs and project timelines, putting capital to work faster and lowering the risk of entering new markets. Nevertheless, the impacts of using modularization along with advanced technologies, such as process intensification, have not yet been fully realized, often due to the uncertain business risks associated with their implementation. Therefore, new methods are needed for quantifying the impact of modular chemical process intensification (MCPI) on the capital and operating costs of chemical plants to help build a business case for this novel approach. This article presents a new conceptual range estimation technique for total cost of ownership that addresses the deficiencies of existing methods for quantifying MCPI impacts. The incorporation of percentage range estimates was employed to allow for adaptability across various cost and size scales. This work also begins to elucidate how chemical engineering and construction firms can benefit from MCPI and identifies barriers that inhibit MCPI applications in the chemical industry.

Alhamouri, Khaled I.↗

MELCOR Accident Progression and Source Term Demonstration Calculations for a FHR

MELCOR is an integrated thermal hydraulics, accident progression, and source term code for reactor safety analysis that has been developed at Sandia National Laboratories for the United States Nuclear Regulatory Commission (NRC) since the early 1980s. Though MELCOR originated as a light water reactor (LWR) code, development and modernization efforts have expanded its application scope to include non-LWR reactor concepts. Current MELCOR development efforts include providing the NRC with the analytical capabilities to support regulatory readiness for licensing non-LWR technologies under Strategy 2 of the NRC's near- term Implementation Action Plans. Beginning with the Next Generation Nuclear Project (NGNP), MELCOR has undergone a range of enhancements to provide analytical capabilities for modeling the spectrum of advanced non-LWR concepts. This report describes the generic plant model developed to demonstrate MELCOR capabilities to perform fluoride-salt-cooled high-temperature reactor (FHR) safety evaluations. The generic plant model is based on publicly-available FHR design information. For plant aspects (e.g., reactor building leak rate and details of the cover-gas system) that are not described in the FHR references, the analysts made assumptions needed to construct a MELCOR full-plant model. The FHR model uses a TRi-structural ISOtropic (TRISO)-particle fuel pebble-bed reactor with a primary system rejecting heat to two coiled tube air heat ex changers. Three passive direct reactor auxiliary cooling systems provide heat removal to supplement or replace the emergency secondary system heat removal during accident conditions. Surrounding the reactor vessel is a low volume reactor cavity that insulates the reactor with fire bricks and thick concrete walls. A refractory reactor liner system provides water cooling to reduce the concrete wall temperatures. Example calculations are performed to show the plant response and MELCOR capabilities to characterize a range of accident conditions. The accidents selected for evaluation consider a range of degraded and failed modes of operation for key safety functions providing reactivity control, the primary system decay heat removal and also a piping leak of the line to the coolant drain tank.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Transactive Campus Energy Systems: An R&D Testbed for Renewables, Integration, Efficiency, and Grid Services (CRADA 356 / Amendment 1)

The Clean Energy and Transactive Campus (CETC) work described in this report was done as part of Amendment 1 to Campus Cooperative Research and Development Agreement (CRADA) 356, the Transactive Campus CRADA with the Washington State Department of Commerce (Commerce) between the U.S. Department of Energy’s (DOE’s), Pacific Northwest National Laboratory (PNNL) and the Commerce through the Clean Energy Fund (CEF). The original project team consisted of PNNL, the University of Washington (UW) and Washington State University (WSU), to connect the PNNL, UW, and WSU campuses to construct and operate the testbed as both a regional flexibility resource and as a platform for research and development (R&D) for buildings/grid integration. Building on the foundational transactive system established by the Pacific Northwest Smart Grid Demonstration (PNWSGD), the purpose of the project was to construct the testbed as both a regional flexibility resource and as a platform for R&D on buildings/grid integration and information-based energy efficiency. The testbed supports the integration of renewables and other regional needs, using the flexibility provided by building loads, energy storage, and smart inverters for batteries and photovoltaic (PV) solar systems, at four physical scales: multiple campuses, campus, microgrid and building.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Polymer Inhibitors Enable >900 cm2 Dynamic Windows Based on Reversible Metal Electrodeposition with High Solar Modulation

Dynamic windows with adjustable tint give users control over the flow of light and heat to decrease the carbon footprint of buildings and improve the occupants’ comfort. Despite the benefits of dynamic windows, they are rarely deployed in buildings because the existing technology cannot achieve fast and colour-neutral tinting at an agreeable cost. Reversible metal electrodeposition is a promising approach to solve these problems. Here, we demonstrate the use of polymer inhibitors to reversibly deposit metal films with controlled morphology in dynamic windows. The windows that employ the polymer inhibitor can readily tint to below 0.001% visible transmittance in less than 3 min and exhibit high infrared reflectance (>70%), colour-neutral transmittance (C*<5) and an ultrawide range of optical and solar modulation (..delta..Tvis=0.76 and ..delta..SHGC=0.56). The polymer inhibitors also increase the efficiency and improve the durability of the windows and enable construction of >900 cm2 dynamic windows with fast response and excellent uniformity.

36 MATERIALS SCIENCE↗

Infrastructure and DFLAW Support at Hanford - 20443

Manhattan Project era infrastructure systems are degrading at an accelerated pace across the Department of Energy's (DOE) Environmental Management complex. Revitalizing, rejuvenating and right-sizing these systems to ensure reliability for ongoing cleanup missions is a major focus at the 580-square- mile Hanford Site in southeast Washington State. The push to complete construction, commissioning, startup, and operation of facilities and systems in the Direct-Feed Low-Activity Waste (DFLAW) program at Hanford by 2023 requires considerable coordination among site contractors and a significant investment in infrastructure. The passage of time also poses a challenge. It has been about 75 years since facilities were first operated at the site, and approximately 40 years of plutonium production created a legacy of unidentified active and abandoned underground obstacles and waste sites that must be avoided when building and upgrading the infrastructure. Converting infrastructure systems originally built to support plutonium production from the 1940's to the 1980's and upgrading those systems to optimize technology is an ever-changing balance of funding profiles, available resources and execution strategies. The DOE Richland Operations Office (RL) has long recognized the need for increased investment in Hanford Site infrastructure to support the future processing of approximately 56 million gallons of waste currently stored in large underground tanks. When DFLAW is fully operational, safe and reliable infrastructure systems will be needed to ensure continuity of operations around the clock, 365 days a year. These include roadways, water, power, sewer, information technology systems and facilities. To ensure the readiness of Hanford's infrastructure to support treating tank waste in the next three years, 15 projects were identified with a combined value of $133.8 million. Through calendar year 2019, 7 infrastructure projects have been substantially completed and the remaining 8 projects, with a remaining value of $103.8 million, are scheduled to be completed by December 2023. RL and its site services/infrastructure contractor, Mission Support Alliance (MSA), regularly evaluate the needs of the DFLAW program and other Hanford Site missions to ensure the highest priority systems are addressed. In addition to a fast-approaching deadline for round-the-clock treatment operations, RL and MSA face another significant infrastructure challenge. As cleanup is being completed in a 220-square-mile area called the River Corridor, most of the cleanup operations going forward will occur in a 20-square-mile area in the center of the Hanford Site, known as the Central Plateau. Infrastructure systems are becoming more congested in an already overcrowded area. This paper/presentation will outline some of the challenges Hanford faces while executing infrastructure reliability projects. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

TRANSLATE - a Monte Carlo simulation of electron transport in liquid argon

Here, the microphysics of electron and photon propagation in liquid argon is a key component of detector design and calibrations needed to construct and perform measurements within a wide range of particle physics experiments. As experiments grow in scale and complexity, and as the precision of their intended measurements increases, the development of tools to investigate important microphysics effects impacting such detectors becomes necessary. In this paper we present a new time-domain Monte Carlo simulation of electron transport in liquid argon. The simulation models the TRANSport in Liquid Argon of near-Thermal Electrons (TRANSLATE) with the aim of providing a multi-purpose software package for the study and optimization of detector environments, with a particular focus on ongoing and next generation liquid argon neutrino experiments utilizing the time projection chamber technology. TRANSLATE builds on previous work of Wojcik and Tachiya, amongst others, introducing additional processes, including ionization, thus modeling the full range of drift electron scattering interactions. The simulation is validated by benchmarking its performance with swarm parameters from data collected in experimental setups operating in gas and liquid.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Modelling of Wastewater Heat Recovery Heat Pump Systems

Wastewater heat recovery is currently an underutilized technology that could be part of solving the climate crisis. A large portion of the heat that leaves a building in the form of wastewater is potentially recoverable for pre-heating domestic hot water or other service water systems. While there are several different approaches to wastewater heat recovery, this project focused on creating detailed, integrated building models for wastewater heat recovery heat pump systems. EnergyPlus models were developed featuring inputs and assumptions corresponding to manufacturers’ specifications, performance lab test data and feedback from engineering consultants. EnergyPlus’s supervisory control Energy Management System objects were heavily relied upon to overcome modelling challenges. The developed EnergyPlus model was integrated into U.S. Department of Energy New Construction Reference Building models for various climate zones and building types to assess potential energy use, energy cost and greenhouse gas emission reductions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Building and experimenting with an agent-based model to study the population-level impact of CommunityRx, a clinic-based community resource referral intervention

CommunityRx (CRx), an information technology intervention, provides patients with a personalized list of healthful community resources (HealtheRx). In repeated clinical studies, nearly half of those who received clinical “doses” of the HealtheRx shared their information with others (“social doses”). Clinical trial design cannot fully capture the impact of information diffusion, which can act as a force multiplier for the intervention. Furthermore, experimentation is needed to understand how intervention delivery can optimize social spread under varying circumstances. To study information diffusion from CRx under varying conditions, we built an agent-based model (ABM). This study describes the model building process and illustrates how an ABM provides insight about information diffusion through in silico experimentation. To build the ABM, we constructed a synthetic population (“agents”) using publicly-available data sources. Using clinical trial data, we developed empirically-informed processes simulating agent activities, resource knowledge evolution and information sharing. Using RepastHPC and chiSIM software, we replicated the intervention in silico, simulated information diffusion processes, and generated emergent information diffusion networks. The CRx ABM was calibrated using empirical data to replicate the CRx intervention in silico. We used the ABM to quantify information spread via social versus clinical dosing then conducted information diffusion experiments, comparing the social dosing effect of the intervention when delivered by physicians, nurses or clinical clerks. The synthetic population (N = 802,191) exhibited diverse behavioral characteristics, including activity and knowledge evolution patterns. In silico delivery of the intervention was replicated with high fidelity. Large-scale information diffusion networks emerged among agents exchanging resource information. Varying the propensity for information exchange resulted in networks with different topological characteristics. Community resource information spread via social dosing was nearly 4 fold that from clinical dosing alone and did not vary by delivery mode. This study, using CRx as an example, demonstrates the process of building and experimenting with an ABM to study information diffusion from, and the population-level impact of, a clinical information-based intervention. While the focus of the CRx ABM is to recreate the CRx intervention in silico, the general process of model building, and computational experimentation presented is generalizable to other large-scale ABMs of information diffusion.

59 BASIC BIOLOGICAL SCIENCES↗

Finding the missing pieces: filling gaps that impede the translation of omics data into models

High-throughput omics technologies such as DNA sequencing have made the sequencing and computational assembly of microbial genomes recovered from the environment relatively routine. Computational inference of the protein products encoded by these genomes, and the associated biochemical functions, should enable the accurate prediction and modeling of microbial metabolism, organismal interactions, and ecosystem processes. However, a lack of scalable, probabilistic protein annotation tools limits the full potential of modeling for understanding the metabolism and biogeochemical cycles of microbial communities. Our approach to improve inference of protein annotations and metabolic models relied on learning from and emulating expert manual curation, leveraging software engineering and data science best practices to scale up the throughput and accuracy of annotations and metabolic model construction, building software to objectively evaluate different annotation strategies, and more closely linking the protein annotation and metabolic model inference process. Outcomes of this research include several improved or new computational tools, including DRAM (Distilled and Refined Annotation of Metabolism) for annotating microbial genomes with protein function and metabolic traits, CAMPER (Curated Annotations for Microbial Polyphenol Enzymes and Reactions) for annotating key polyphenol metabolisms, EC-Bench for comprehensive and unbiased benchmarking of annotation tools, and several apps available via the DOE Systems Biology Knowledgebase (KBase) for building genome-scale metabolic models. We demonstrate that these tools allow us to scalably annotate and understand thousands of genomes for microbial communities from a variety of systems and test cases, including rivers, thawing permafrost, and gut microbiomes. All of these computational tools are available as open-source software, with most broadly and easily accessible to the scientific community via KBase apps.

59 BASIC BIOLOGICAL SCIENCES↗

Cold-Climate Packaged Heat Pumps - Resistance is Futile

The U.S. currently has a large market for room/zonal space conditioning equipment focused primarily on cooling, namely packaged terminal air conditioners (PTACs), packaged terminal heat pumps (PTHPs), and room air conditioners. This equipment largely relies on electric resistance for heating, particularly when outdoor temperatures fall to 40°F or below, presenting a compelling opportunity for energy savings and carbon reductions from reverse cycle heating. This paper provides an overview of cold climate packaged heat pump technologies in the market capable of high output down to outdoor temperatures of 5°F and identifies the technological and market barriers to adoption. For state-of-the-art cold climate packaged heat pumps sold in the retrofit market, defrost meltwater management is the principal barrier to implementation. An energy use analysis is conducted on state-of-the-art cold climate packaged heat pumps for heating and cooling loads by building vintage and climate zone. Potential solutions to defrost meltwater are proposed and modeled for their impact on heating energy efficiency. A national impact assessment estimates the aggregate energy savings and carbon reductions if cold climate packaged heat pumps were to replace existing PTACs and PTHPs in the U.S. building stock. A national, two-track approach is proposed for increasing market adoption in the replacement and new construction markets.

ACEEE Summer Study, cold climate, heat pumps, ccph↗

Zero Energy Ready Out of the Box

In this conference paper for the ASHRAE Buildings XV conference, December 2022, PNNL staff share key metrics for companies who are combining off site construction with certification to the U.S. Department of Energy’s Zero Energy Ready Home program to create homes that are both cost effective to construct and high performance to live in. Key performance metrics and measures for modular, panelized, and SIP homes are compared against all homes in the DOE Zero Energy Ready Home program and against new homes built to code. These metrics show that off-site construction homes got similar or better energy performance to site-built homes, and in the case of modular and panelized, at considerably lower average cost than site-built homes. The paper also highlights the experiences of two DOE Zero Energy Ready Home builders who employ offsite construction methods. One builder constructs production homes using pre-assembled panels. The other builder designs and ships kit homes all over the United States. The paper will focus on the optimum value engineering aspects of the panelized construction processes used by each builder to identify management and production practices employed by the builders to operate profitably while meeting high energy performance goals, despite a year marked by skyrocketing materials costs and supply chain and labor shortages. Cost and labor savings methods will be discussed in the context of these two unique business models.

U.S. Department of Energy Building Technologies Pr↗

Quantifying Capital Cost Reduction Pathways for Advanced Nuclear Reactors

The framework developed in this study is provided both as an excel sheet (https://inl.gov/content/uploads/2023/11/Nuclear-Reactor-Cost-Reduction-Pathway-Spreadsheet-Tool.xlsx) and a Python (Jupyter) Notebook (link: https://github.com/accert-dev/ACCERT/tree/main/Cost%20Reduction). Capital cost considerations are one of the primary inhibitors to the large-scale deployment of nuclear power plants. While it is widely accepted that first units will likely be expensive and relatively uncompetitive, it is reasonable to expect that subsequent units, built in relative quick succession, will be cheaper as they benefit from the so-called “learning effects”. However, the large degree of uncertainty associated with this parameter renders it challenging for first movers to invest in the first few expensive units. To resolve this impasse, the U.S. Department of Energy’s Advanced Nuclear Liftoff study advocated for the formation of large, committed order books of plants of the same technology to spread the costs across several units and kickstart the nuclear supply chain. The study also advocated best practices for avoiding overruns and keeping reactors on budget. This report builds on these key recommendations by attempting to quantify specific pathways toward cost reduction for nuclear energy. A capital cost estimation framework was built to untangle the effect of learning into a subset of key cost drivers, referred to as “levers”. Collectively, the choice of these levers is intended to reflect the decision-making of high-level stakeholders like plant owners and the government. In addition to the size of the firm orderbook, these levers included (a) cost drivers that are most often attributed to cost overruns such as architect/engineering (A/E) proficiency, construction proficiency, procurement service proficiency, design completion prior to the start of construction, and design maturity, and (b) cost reduction strategies such as modular construction, cross-site standardization, safety classification of the reactor building, and of the balance of plant. Two advanced reactor designs were leveraged as use cases and bottom-up cost estimates made with assumptions consistent with a well-executed first-of-a-kind project (WE-FOAK, i.e., almost no overruns) were used as baselines for the models. Cost correlations were surveyed from the literature to determine the impact of important variables on projected timelines and costs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Transferring Liquid Metal to form a Hybrid Solid Electrolyte via a Wettability-Tuning Technology for Lithium-Metal Anodes

Integrating solid-state electrolyte (SSE) into Li-metal anodes has demonstrated great promise to unleash the high energy density of rechargeable Li-metal batteries. However, fabricating a highly cyclable SSE/Li-metal anode remains a major challenge because the densification of the SSE is usually incompatible with the reactive Li metal. Here, a liquid-metal-derived hybrid solid electrolyte (HSE) is proposed, and a facile transfer technology to construct an artificial HSE on the Li metal is reported. By tuning the wettability of the transfer substrates, electron- and ion-conductive liquid metal is sandwiched between electron-insulating and ion-conductive LiF and oxides to form the HSE. The transfer technology renders the HSE continuous, dense, and uniform. The HSE, having high ion transport, electron shut-off, and mechanical strength, makes the composite anode deliver excellent cyclability for over 4000 h at 0.5 mA cm(-2) and 1 mAh cm(-2) in a symmetrical cell. When pairing with LiFePO4 and sulfur cathodes, the HSE-coated Li metal dramatically enhances the performance of full cells. Therefore, this work demonstrates that tuning the interfacial wetting properties provides an alternate approach to build a robust solid electrolyte, which enables highly efficient Li-metal anodes.

li-metal anodes↗

A Safe Response to Renewable Energy Hazards

The International Association of Fire Fighters (IAFF) and Underwriters Laboratories, LLC (UL) in conjunction with UL Solutions initiated a joint project in 2022 under an agreement with the United States Department of Energy-Office of Energy Efficiency and Renewable Energy (DOE-EERE). This project focused on two separate and important initiatives related to energy efficiency in residential buildings. Initiative 1: Fire Performance on Energy Efficient Exterior Walls. Initiative 2: Firefighting Tactics in Residential Properties with Building Energy Storage Systems (BESS). The project’s first initiative addresses concerns surrounding new technologies with enhanced, energy-efficient exterior walls installed on residential properties. The concerns of fire rapidly traveling vertically up the exterior of these walls were examined. This addressed a growing concern from the first responder community that many times, the fires on the exterior of residential buildings have already evolved into an attic fire by the time of arrival – making it problematic to address the fire scenario. The test plan for Initiative 1 incorporated a modified version of an American Society for Testing and Materials (ASTM) test method, ASTM E2707, Standard Test Method for Determining Fire Penetration of Exterior Wall Assemblies Using a Direct Flame Impingement Exposure, as the foundation of the research. The test method involved a wall structure intended to represent retrofit construction to evaluate how fire would spread vertically or laterally. The second aspect of the UL-IAFF Project focuses on the fire service response to Residential Battery Energy Storage System (RBESS) incidents. These simulation tests were constructed in the large-scale fire test facility at UL Solutions’ Northbrook, IL campus. A baseline test was conducted that involved a test structure with no batteries—shelving units populated with standardized commodities, representing a typical garage with cellulosic and plastic contents. Three additional tests have been conducted to generate data with the contribution of energy storage system (ESS) batteries to compare fire and explosion hazards against the baseline test. Through this work, fire service tactical considerations can be explored. From the data, the team can determine 1) the visual indicators of a residential fire that has involved an RBESS (or, potentially, other large batteries) and 2) the impact of fire service-initiated ventilation of the structure on the fire conditions and explosion risks.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗