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At least 595 records · Page 33

U.S. Department of Energy: National Virtual Biotechnology Laboratory (Technical Report)

With funding from the CARES Act, the U.S Department of Energy (DOE) established the National Virtual Biotechnology Laboratory (NVBL) in March 2020 to address key challenges associated with the COVID-19 crisis. The NVBL brought together the broad scientific and technical expertise and resources of DOE’s 17 national laboratories to help tackle medical supply shortages, discover potential drugs to fight the virus, develop and validate COVID-19 testing methods, model disease spread and impact across the nation, and understand virus transport in buildings and the environment. National laboratory resources leveraged for this effort include a suite of world-leading user facilities broadly available to the research community, such as light and neutron sources, nanoscale science research centers, sequencing and biocharacterization facilities, and high-performance computing facilities. As part of the NVBL framework, DOE rapidly assembled five project teams to (1) identify new targets for medical therapeutics; (2) develop innovations in testing capabilities; (3) provide epidemiological and logistical support; (4) understand viral fate and transport in the environment; and (5) address supply chain bottlenecks by harnessing extensive additive manufacturing capabilities. Each research team was charged with defining high-impact projects that could be completed in a 6-month sprint while coordinating their developments with academia, other government agencies, and the private sector. Within months, NVBL teams used DOE’s high-performance computers and light and neutron sources to identify promising candidates for antibodies and antivirals that universities and drug companies are now evaluating. NVBL researchers also developed new diagnostic targets and sample collection approaches, and supported efforts by the U.S. Food and Drug Administration, Centers for Disease Control and Prevention, and U.S. Department of Defense to establish national guidelines used in administering millions of tests. Researchers used artificial intelligence and high-performance computing to produce near-real-time data analysis to forecast disease transmission, stress on public health infrastructure, and economic impact, which supported decision-makers at the local, state, and national levels. To minimize virus uptake and protect human health, NVBL teams studied how to control indoor virus movement. Researchers also produced innovations in materials and advanced manufacturing that mitigated shortages in test kits and personal protective equipment, creating nearly 1,000 new jobs. Through its NVBL framework, DOE has contributed significantly to the nation’s COVID response, demonstrating in only a few months the critical impact of its national laboratories. NVBL’s accomplishments demonstrate not only the powerful resource represented by DOE’s national laboratories working together to meet national needs, but also the effectiveness of the integrated NVBL framework for rapidly responding to emergencies with research and development solutions. Going forward, the NVBL is poised to apply the unique capabilities and expertise of the national laboratory complex to future national and international emergencies, both natural and engineered. Through this framework, DOE will continue to be an integral component of agency-wide efforts to prepare for and respond to biorisks and other crises. This technical report describes the goals, progress, and results of NVBL’s five project teams—Molecular Design for COVID-19 Therapeutics, COVID-19 Testing, Epidemiological Modeling, Viral Fate and Transport, and Materials and Manufacturing of Critical Supplies—and lists each team’s publications and research output.

42 ENGINEERING↗

Solar energy system performance evaluation: Seasonal report for fern, Tunkhannock, Pennsylvania

The operational and thermal performance of a variety of solar systems installed in operational test sites are described. The analysis is based on instrumented system data monitored and collected for at least one full season of operation. The long-term field performance of the installed system is reported, and technical contributions to the definition of techniques and requirements for solar energy system design are made. The solar energy system was designed to supply space heating and domestic hot water for single-family residences. The system consists of air flat plate collectors, storage tank, pumps, heat exchangers, associated plumbing, and controls.

Source record↗

Dynamic Measurements of the Structural Evolution of Material Defects at the Mesoscale

This is a technical report to be published as part of the FY2021 annual overview package. We have designed experiments and developed analytical methods using images from x-ray and electron microscopy in order to quantify the behavior of crystal dislocation defects at their native nanometer-length and micro-length scales. The results of these analyses are used to directly inform theoretical physics models and guide interpretation of dark field x-ray microscopy (DFXM) images that offer spatial resolution surpassing the resolution of beamline optics. Additionally, we developed new analytical methods to automate the alignment of optics hardware used in both synchrotron and x-ray free electron laser beamline facilities. The tools and workflows developed for this project are now being deployed as proof-of-concept in reaction history analysis (RHA) for future programmatic integration.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Guidelines for Implementation of an Advanced Outage Control Center to Improve Outage Coordination, Problem Resolution, and Outage Risk Management

This research effort is a part of the Light-Water Reactor Sustainability (LWRS) Program, which is a research and development (R&D) program sponsored by Department of Energy (DOE) and performed in close collaboration with industry R&D programs that provide the technical foundations for licensing and managing the long-term, safe, and economical operation of current nuclear power plants. The LWRS program serves to help the U.S. nuclear industry adopt new technologies and engineering solutions that facilitate the continued safe operation of the plants and extension of the current operating licenses. The purpose of this research is to improve management of nuclear power plant (NPP) outages through the development of an advanced outage control center (AOCC) that is specifically designed to maximize the usefulness of communication and collaboration technologies for outage coordination and problem resolution activities. This technical report for industry implementation outlines methods and considerations for the establishment of an AOCC. This report provides a process for implementation of a change management plan, evaluation of current outage processes, the selection of technology, and guidance for the implementation of the selected technology. Methods are presented for both adoption of technologies within an existing OCC and for a complete OCC replacement, including human factors considerations for OCC design and setup.

99 GENERAL AND MISCELLANEOUS↗

Summary of Technical Peer Review on the Risk Assessment Framework proposed in Report INL/RPT-22-68656 for Digital Instrumentation and Control Systems

This report summarizes the peer review activities initiated by Idaho National Laboratory (INL) during fiscal year (FY) 2023 for the evaluation and improvement of the methodology developed under the U.S. Department of Energy (DOE) Light Water Reactor Sustainability (LWRS) Program, Risk Informed Systems Analysis (RISA) Pathway, digital instrumentation and control (DI&C) risk assessment project. In FY 2019, the RISA Pathway initiated a project to develop a risk assessment strategy for delivering a technical basis to support effective and secure DI&C technologies for digital upgrades/designs. A framework was proposed for this strategy, which aims to (1) provide a best-estimate, risk-informed capability to quantitatively and accurately estimate the risk impact of plant modernization, considering the introduction of high safety-significant safety-related (HSSSR) DI&C systems, (2) support and supplement existing risk-informed DI&C design guides by providing quantitative risk information and evidence, (3) offer a capability of design architecture evaluation of various DI&C systems, (4) assure the long-term safety and reliability of HSSSR DI&C systems, and (5) reduce uncertainty in costs and support integration of DI&C systems in the plant. The R&D efforts of this project from FY 2019 through FY 2022 were focused on methodology improvement and demonstration of the proposed framework for the risk assessment and design optimization of safety-critical DI&C systems. Collaborations with the nuclear industry have been initiated to support the reliability and risk assessment of their DI&C systems by using the proposed framework. In FY 2023, the framework has reached to a point for a technical peer review and obtain stakeholder feedback. This peer review activity includes coordination of the reviews performed by a group of industry stakeholders, documentation of the peer review suggestions, providing resolutions and responses to the peer review comments. The objective of this technical peer review is to obtain representative feedback on the proposed framework to improve the technical qualities of its methodology and readiness for deployment to the industry. Feedback may identify potential areas for improvement and further development. The Subject Matter experts were invited to review the latest project report documenting the methodology developed in the project and provide evaluations of the technical qualities of the proposed framework and relevant methods. The reviewed project report is “An Integrated Framework for Risk Assessment of High Safety-significant Safety-related Digital Instrumentation and Control Systems in Nuclear Power Plants: Methodology and Demonstration” INL/RPT-22-68656 (short as “INL/RPT-22-68656” in this report). This peer review report documents the technical questions provided for technical peer review and introduces the technical peer reviewers from the stakeholders including nuclear utilities, regulators, and universities. Comments from technical peer reviewers and the resolutions and responses to these comments are outlined. Insights and lessons learned from the technical peer review are summarized in conclusions and future work. The primary audience of this report are DI&C designers, engineers, and probabilistic risk assessment (PRA) practitioners. This includes stakeholders, such as the nuclear utilities and regulators who consider the deployment and upgrade of DI&C systems, DI&C software developers and reviewers, and cybersecurity specialists.

99 GENERAL AND MISCELLANEOUS↗

Conceptual Design of Engineering-Scale Molten Salt Spill Tests to Support Molten Salt Reactor Licensing

Nuclear accident progression analysis codes for reactor licensing must be validated using experimental data that was generated at a large enough scale so that the results are representative of full-scale accidents. This report describes a conceptual design of engineering-scale molten salt spill tests that will provide the necessary datasets to support molten salt reactor (MSR) licensing. Design considerations, salt compositions, test variables, processes to be quantified, and suitable measurement techniques are presented and discussed. Aspects of the conceptual engineering-scale molten salt spill test design presented in this report were made using insights from recent laboratory-scale molten salt spill tests conducted at Argonne. Additional input from model developers, MSR vendors, and technical experts will benefit the design of the proposed engineering-scale molten salt spill tests.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Development of Design Standards and Guidelines for Electromagnetic Compatibility and Lightning Protection for Spacecraft Utilizing Composite Materials

This final report presents information concerning technical accomplishments by Tec-Masters, Inc. (TMI) for this contract effort. This effort included the accomplishment and/or submission by TMI of the following items: (1) Literature Survey Report, Electrical Properties of Non-Metallic Composites by Mr. Hugh W. Denny; (2) Interim Report, Composite Materials - Conductivity, Shielding Effectiveness, and Current Carrying Capability by Mr. Ross W. Evans; (3) Fault Current Test Plan by Mr. Ross W. Evans (4) Fault Current Test Procedure by Mr. Ross W. Evans (5) Test Report, Fault Current Through Graphite Filament Reinforced Plastic, NASA CR-4774, Marshall Space Flight Center, Alabama, September 1996, by Mr. Ross W. Evans; (6) Test Plan, Lightning Effects on Composite Materials by Mr. Ross W. Evans; (7) Test Report, Lightning Effects on Composite Materials, NASA CR-4783, Marshall Space Flight Center, Alabama, February 1997, by Mr. Ross W. Evans; (8) Design Guidelines for Shielding Effectiveness, Current Carrying Capability, and the Enhancement of Conductivity of Composite Materials, NASA CR-4784, Marshall Space Flight Center, Alabama, September 1996, by Mr. Ross W. Evans. These items are not attached but are considered to be a part of this final report. Efforts on two additional items were accomplished at no increase in cost to NASA/MSFC. These items consisted of updating the 'MSFC EMC Design and Interference Control Handbook,' and revising the 'Design Guidelines for Shielding Effectiveness, Current Carrying Capability, and the Enhancement of Conductivity of Composite Materials.'

Camp, Dennis W.↗

CIGS Technology Advancement via Fundamental Modeling of Defect/Impurity Interactions (Final Technical Report)

The primary goals of the proposed work were to provide modeling tools (and the associated insight which comes along with model development) for design and optimization of CuIn x Ga 1-x Se 2 (CIGS) and CdSeTe (CST) solar cell manufacturing processes and to establish the foundation for comprehensive end-to-end predictive modeling tools to enable optimization of thin film photovoltaic technology for performance, cost, yield, and reliability. The initial focus of efforts within this project was to develop coupled process/optical/device models for CIGS PV technology and to work with Siva Power to apply that TCAD (technology computer-aided design) system to improve the efficiency and reduce manufacturing costs for CIGS solar cells. Our approach to that end was to generate an extensive database of DFT calculations and to use those calculations via statistical thermodynamics methods and Monte Carlo simulation to develop and characterize models for the behavior of native defects as well as intentional and unintentional impurities, including the redistribution of the primary components of CIGS films. Increased effort went toward coupling those models for defect behavior and composition evolution to the performance of multicrystalline CIGS solar cells via prediction of doping level and recombination lifetime as function of manufacturing process. In the second budget period, the project pivoted to developing a similar system for the CdSeTe system, focused especially on understanding the role of Se/Te alloy concentration. Execution of the project resulted in the successful development of TCAD systems for both CIGS and CdSeTe thin film PV within the Synopsys Sentaurus framework by utilizing the Alagator interface. In the first budget period of the project, we developed quantitative models for the major components of CIGS PV and implemented them within a framework that couples process, optical, and device simulation. From the insights we have gained, we identified novel opportunities for enhancing CIGS solar cell performance and have laid the groundwork to further optimize the layer structure, composition profile, and thermal cycles for substantially improved efficiency and lower manufacturing costs. For the CIGS system, process changes to achieve greater than 1% absolute enhancement in efficiency were identified, but testing of those approaches was stymied by lack of a domestic CIGS manufacturing partner after the closure of Siva Power as well as Miasole. For CdSeTe, a fully capable TCAD system only became ready to apply near the end of the project period, so substantial opportunities remain to apply those models to enhance the leading thin film PV technology.

14 SOLAR ENERGY↗

7th World Congress on Integrated Computational Materials Engineering (ICME 2023) (Final Technical Report)

Integrated Computational Materials Engineering (ICME) has received international attention due to its potential to shorten product development time, while lowering cost and improving design and manufacturing outcomes. ICME is an approach to designing materials solutions for specific applications that use computer modeling programs to predict the behavior of materials and integrate this information into the overall materials, processing, and manufacturing design cycle. The 7th World Congress on Integrated Computational Materials Engineering (ICME 2023) was held in Orlando, Florida from May 21–25, 2023 with the goal to convene stakeholders from across all areas of modeling and simulation, experimental specialization, and design, as well as from across academia, government, and industry, to address ICME tools and techniques and their integration, as well as to examine their application in engineering. This atmosphere facilitated rich interactions between the experimentalists, modelers, and computational and design, from academia, government, and industry, to discuss ICME tools and techniques and their application in engineering.

36 MATERIALS SCIENCE↗

Modeling and Analysis Methods for an On-line Enrichment Monitor

The International Atomic Energy Agency (IAEA) has developed an On-Line Enrichment Monitor (OLEM) as one possible component in a new generation of safeguards measures for uranium enrichment plants. The OLEM measures 235U emissions from the UF6 gas flowing through a unit header pipe using NaI(Tl) spectrometers, and corrects for gas density changes using pressure and temperature sensors in order to determine the enrichment of the gas as a function of time. In parallel with the OLEM instrument development, a Virtual OLEM (VOLEM) software tool has been developed that is capable of producing synthetic gamma-ray, pressure, and temperature data representative of a wide range of enrichment plant operating conditions. VOLEM complements instrument development activities and allows the study of OLEM for scenarios that will be difficult or impossible to evaluate empirically. Uses of VOLEM include: investigation of hardware design options; inter-comparison of candidate gamma-ray spectral analysis and enrichment estimation algorithms; uncertainty budget analysis and performance prediction for typical and atypical operational scenarios; and testing of the OLEM data acquisition, analysis and reporting software. This paper describes the technical foundations of VOLEM and illustrates how it can be used. An overview of the nominal instrument design and deployment scenario for OLEM is provided, with emphasis on the key online-assay measurement challenge: accurately determining the portion of the total 235U signal that comes from a background that includes solid uranium deposits on the piping walls. Monte Carlo modeling tools, data analysis algorithms and uncertainty quantification methods are described. VOLEM is then used to quantitatively explore the uncertainty budgets and predicted instrument performance for a plausible range of typical plant operating parameters, and one set of candidate analysis algorithms. Additionally, a series of VOLEM case studies illustrates how an online enrichment monitor might respond in scenarios expected to be atypical, for example weak pressure transients or significant changes in background levels.

Smith, Leon E.↗

HPCG Benchmark Technical Specification

The High Performance Conjugate Gradient (HPCG) benchmark [cite SNL, UTK reports] is a tool for ranking computer systems based on a simple additive Schwarz, symmetric Gauss-Seidel preconditioned conjugate gradient solver. HPCG is similar to the High Performance Linpack (HPL), or Top 500, benchmark [1] in its purpose, but HPCG is intended to better represent how today’s applications perform. In this paper we describe the technical details of HPCG: how it is designed and implemented, what code transformations are permitted and how to interpret and report results.

97 MATHEMATICS AND COMPUTING↗

Comparison of Commercial, State-of-the-Art, Fossil-Based Ammonia Production

This NETL report provides a comprehensive techno-economic analysis of current, state-of-the-art, fossil-based ammonia production processes, explicitly utilizing natural gas as the feedstock. The study thoroughly investigates three distinct configurations: conventional Steam Methane Reforming (SMR) without carbon capture, SMR integrated with carbon capture and storage (CCS), and Autothermal Reforming (ATR) also with CCS. The analysis incorporates detailed equipment cost accounting as part of its methodology. The primary objective is to meticulously evaluate the cost and performance of these established and emerging technological pathways, considering factors such as capital expenditures, operational costs, and energy consumption. While the report acknowledges and quantifies environmental impacts, its central focus remains on the economic and technical feasibility of each process design employing these current technologies. The analysis provides a direct comparison of the Levelized Cost of Ammonia (LCOA) for each pathway, revealing how the integration of CCS within these state-of-the-art systems impacts the overall production cost. The ATR+CCS configuration, representing an advanced approach, emerged with a slightly more favorable LCOA compared to SMR+CCS. This benefit was attributed to its inherent process efficiencies, high carbon capture rates, and economy of scale advantages. The report details the energy consumption profiles for each case, including metrics like net energy consumption and thermal efficiency, which are critical for assessing the performance of these contemporary industrial processes. Sensitivity analyses further explore how variables such as natural gas price, capital costs, and capacity factors influence the LCOA across all scenarios, offering critical insights into the economic robustness and scalability of these current ammonia production technologies.

03 NATURAL GAS↗

HIGH EFFICIENCY HIGH DENSITY GAN BASED 6.6KW BI-DIRECTIONAL ON-BOARD CHARGER FOR PEVS

Executive Summary: In the 4th quarter of 2014, a program was formally initiated at Delta Products to develop and commercialize a lightweight, compact and high efficiency bi-directional on-board Charger (OBC) for plug-in electric vehicle use. The project was funded in part by the U.S. Department of Energy (DOE), under award DE- EE0006834. Delta products was the prime contractor to DOE during the three-year duration of the project. In addition to Delta Products, several additional supplier-partners were engaged in this research and development (R&D) program, including Transphorm, Inc., The Center for Power Electronics Systems (CPES) at Virginia Tech, and Fiat Chrysler Automobiles. The OBC uses novel control schemes enabled by Gallium Nitride (GaN) switches to obtain charger efficiency of 95% and reduce volume and mass by 50% of the existing state-of-the-art silicon (Si) based chargers and inverters. A Si-based bidirectional OBC is typically implemented with two separate modules: a charger and an inverter. A GaN-based bidirectional OBC can integrate both functions into a single module. It will result in substantial reductions in size, weight and cost. This enables the introduction of WBG devices in automotive production programs. The inverter function integrated with PHEV can act as emergency power source in case of power interruption. This increases the power security when the electric infrastructure is damaged by extreme weather conditions. This report summarizes the program and describes the key research outcomes of the program. A technical history of the project activities is provided, which describes the key steps taken in the research and the findings made at successive stages in the multi-stage work. The evolution of OBC prototypes is described in detail. After the program history is reviewed, the key attributes of the resulting OBC are described in terms of functionality, performance, and cost. The results clearly demonstrate the ability of this OBC to meet or exceed DOE's targets for this program, including: • Construction of a working product-intent prototype of a bi-directional on-board Charger (OBC); • Peak efficiency of 95% and volume reduction of 50% compared to a recent production modules of similar ratings. • Bi-directional operation at 120Vac and 240Vac in vehicle. In addition to meeting all the program goals, the program was completed within the original budget and timeline established at the time of the award. The summary program budget and timeline, comparing plan versus actual values, is provided for reference, along with several supporting explanatory notes. Technical information relating to the product design and test results are contained in the appendices to this report.

30 DIRECT ENERGY CONVERSION↗

System-Cost-Optimized Smart EVSE for Residential Application: Final Technical Report including Manufacturing Plan

In the 2nd quarter of 2012, a program was formally initiated at Delta Products to develop smart-grid-enabled Electric Vehicle Supply Equipment (EVSE) product for residential use. The project was funded in part by the U.S. Department of Energy (DOE), under award DE-OE0000590. Delta products was the prime contractor to DOE during the three year duration of the project. In addition to Delta Products, several additional supplier-partners were engaged in this research and development (R&D) program, including Detroit Edison DTE, Mercedes Benz Research and Development North America, and kVA. This report summarizes the program and describes the key research outcomes of the program. A technical history of the project activities is provided, which describes the key steps taken in the research and the findings made at successive stages in the multi-stage work. The evolution of an EVSE prototype system is described in detail, culminating in prototypes shipped to Department of Energy Laboratories for final qualification. After the program history is reviewed, the key attributes of the resulting EVSE are described in terms of functionality, performance, and cost. The results clearly demonstrate the ability of this EVSE to meet or exceed DOE's targets for this program, including: construction of a working product-intent prototype of a smart-grid-enabled EVSE, with suitable connectivity to grid management and home-energy management systems, revenue-grade metering, and related technical functions; and cost reduction of 50% or more compared to typical market priced EVSEs at the time of DOE's funding opportunity announcement (FOA), which was released in mid 2011. In addition to meeting all the program goals, the program was completed within the original budget and timeline established at the time of the award. The summary program budget and timeline, comparing plan versus actual values, is provided for reference, along with several supporting explanatory notes. Technical information relating to the product design and test results are contained in the appendices to this report.

33 ADVANCED PROPULSION SYSTEMS↗

A New Campus Built on Efficiency - UC Merced

The University of California (UC), Merced partnered with the U.S. Department of Energy (DOE) to develop and implement solutions to retrofit two existing buildings to reduce energy consumption by at least 30% as part of DOE’s Commercial Buildings Partnerships (CBP) Program.1 Lawrence Berkeley National Laboratory (LBNL) provided technical expertise in support of this DOE program. This case study reports expected savings from proposed design recommendations for the campus, which are subject to change in final construction. It is estimated that UC Merced will achieve the 30% reduction in the two participating buildings, the central plant and the Science & Engineering (S&E) building. The savings from retrofits of those buildings represent about 17% of whole-campus energy use. In addition, the energy saved by the CBP retrofits supports a broader goal, UC Merced’s “Triple Zero” commitment to zero net energy, zero landfill waste, and zero net greenhouse gas emissions by 2020. Although the campus has already made progress toward that goal with its efficient building construction and operation, opportunities for deeper savings remain, as the CBP project demonstrates.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

AIMES Final Technical Report

Many important advances in science and engineering are due to large-scale distributed computing. Notwithstanding this reliance, we are still learning how to design and deploy large-scale production Distributed Computing Infrastructures (DCI). The AIMES project was conceived against this backdrop, following on the heels of a comprehensive survey of scienti c distributed applications [1]. The survey established, arguably for the rst time, the relationship between infrastructure and scienti c distributed applications. It examined well known contributors to the complexity associated with infrastructure, such as inconsistent internal and external interfaces, and demonstrated the correlation with application brittleness. It discussed how infrastructure complexity reinforces the challenges inherent in developing distributed applications.

97 MATHEMATICS AND COMPUTING↗

Building Efficiency Technologies by Tomorrow’s Engineers and Researchers (BETTER) Capstone. Final Technical Report

BETTER Capstone supported 29 student project teams consisting of 155 students over two years in developing transformative building energy efficiency technologies through a capstone design experience. Capstone is the culmination of an undergraduate student’s engineering education. Interdisciplinary teams of students spent a semester designing and prototyping a technological solution for a variety building energy efficiency problems. During this experience students utilized the full design process, including the manufacturing and testing of a prototype solution, as well as publically demonstrating the solution at the Capstone Design Expo. As part of this project, students explored modern manufacturing techniques and gained hands-on experience with these techniques to produce their prototype technologies. This research added to the understanding of the challenges within building technology education and engagement with industry. One goal of the project was to help break the chicken-and-egg problem with getting students to engage more deeply with the building technology industry. It was learned however that this industry is less interested in trying innovative new concept but rather interested in hiring graduates for existing conventional building efforts. While none of the projects yielded commercial success, much individual student growth and learning was accomplished, which is a long-term benefit to the public at large.

42 ENGINEERING↗

Publication of LLNL Genomics Data to ESGF: a Technical Report for DREAM Project

We present the process used to set up several example genomic data sets within an ESGF framework. The process begins with designing a project, staging the data, and handling the necessary configuration. We describe the publication process used to ingest the datasets, in essence, all required metadata. Finally, we describe the data web service that we introduce in the DREAM project which makes these datasets available for download or exploration.

59 BASIC BIOLOGICAL SCIENCES↗