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DOE OSTI2013

Building a Solar Powered Home in a Historic Neighborhood. A Case Study with CVF Homes, the City of San Antonio Office of Historic Preservation and the Lavaca Neighborhood Association

A Texas collaboration is working to streamline and enable an increase in photovoltaic capacity. The City of San Antonio has made tremendous progress in recent years in the area of solar energy installations on residences. These projects have been great successes, though not without the usual challenges associated with solar energy installations. The City has also seen an increased interest in solar energy systems in official “historic” neighborhoods. These installations have a potential for added challenges, as neighborhoods designated “historic” have additional restrictions, aside from standard building codes, about what changes and upgrades can be done to the exterior. This is in an effort to maintain the historic qualities of the homes and preserve the historical nature of the neighborhoods in which they are present. The purpose of this case study was to examine the construction of a new, single family home, with an included solar energy system, in an official historic neighborhood in San Antonio. Build San Antonio Green hoped to uncover what specific additional challenges the builder faced when working in a historic neighborhood and how those challenges were overcome, to serve as a model for other builders wishing to install solar energy systems in historic neighborhoods. This is of particular importance, as the City of San Antonio has more than 20 officially designated historic neighborhoods, and without proper knowledge of how to comply with the additional regulations, contractors, builders, and solar installers could potentially miss out on tremendous opportunities.

14 SOLAR ENERGY↗

DOE OSTI2012

City of Grand Rapids Building Solar Roof Demonstration

Grand Rapids, Michigan is striving to reduce it environmental footprint. The municipal government organization has established environmental sustainability policies with the goal of securing 100% of its energy from renewable sources by 2020. This report describes the process by which the City of Grand Rapids evaluated, selected and installed solar panels on the Water/Environmental Services Building. The solar panels are the first to be placed on a municipal building. Its new power monitoring system provides output data to assess energy efficiency and utilization. It is expected to generate enough clean solar energy to power 25 percent of the building. The benefit to the public includes the economic savings from reduced operational costs for the building; an improved environmentally sustainable area in which to live and work; and increased knowledge about the use of solar energy. It will serve as a model for future energy saving applications.

14 SOLAR ENERGY↗

DOE OSTI2014

Establishment of the Northeast Coastal Watershed Geospatial Data Network (NECWGDN)

The goals of NECWGDN were to establish integrated geospatial databases that interfaced with existing open-source (water.html) environmental data server technologies (e.g., HydroDesktop) and included ecological and human data to enable evaluation, prediction, and adaptation in coastal environments to climate- and human-induced threats to the coastal marine resources within the Gulf of Maine. We have completed the development and testing of a "test bed" architecture that is compatible with HydroDesktop and have identified key metadata structures that will enable seamless integration and delivery of environmental, ecological, and human data as well as models to predict threats to end-users. Uniquely this database integrates point as well as model data and so offers capacities to end-users that are unique among databases. Future efforts will focus on the development of integrated environmental-human dimension models that can serve, in near real time, visualizations of threats to coastal resources and habitats.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2016

University of Louisville Research and Energy Independence Program

The development of domestic, environmentally friendly and sustainable sources of energy and liquid fuel is a critical need for the United States (US). Kentucky (KY) is rich in natural energy and agricultural resources that could provide sustainable energy for the state and for the nation. New technology is needed to capture, store, and distribute this sustainable energy in KY. Development of KY’s sustainable energy resources will create economic benefit for the citizens of KY and can serve as a model for other states in the US. Existing technologies for solar energy collection and storage are practical for regions with high and consistent solar intensity, such as the southwest US. Solar energy is plentiful in KY, but is less intense and less regular. As such, novel innovative technology is needed to capture, store, and distribute this energy. KY also has plentiful biomass resources that can be converted to renewable fuels. In addition, the state offers low energy rates, which are conducive for any type of manufacturing industry. A manufacturing R&D center at the University of Louisville (UofL) can help attract high-tech manufacturing industries to the city of Louisville and the state of KY.

09 BIOMASS FUELS↗

DOE OSTI2015

Heat-activated Plasmonic Chemical Sensors for Harsh Environments

A passive plasmonics based chemical sensing system to be used in harsh operating environments was investigated and developed within this program. The initial proposed technology was based on combining technologies developed at the SUNY Polytechnic Institute Colleges of Nanoscale Science and Engineering (CNSE) and at the University of Minnesota (UM). Specifically, a passive wireless technique developed at UM was to utilize a heat-activated plasmonic design to passively harvest the thermal energy from within a combustion emission stream and convert this into a narrowly focused light source. This plasmonic device was based on a bullseye design patterned into a gold film using focused ion beam methods (FIB). Critical to the design was the use of thermal stabilizing under and overlayers surrounding the gold film. These stabilizing layers were based on both atomic layer deposited films as well as metal laminate layers developed by United Technologies Aerospace Systems (UTAS). While the bullseye design was never able to be thermally stabilized for operating temperatures of 500oC or higher, an alternative energy harvesting design was developed by CNSE within this program. With this new development, plasmonic sensing results are presented where thermal energy is harvested using lithographically patterned Au nanorods, replacing the need for an external incident light source. Gas sensing results using the harvested thermal energy are in good agreement with sensing experiments, which used an external incident light source. Principal Component Analysis (PCA) was used to reduce the wavelength parameter space from 665 variables down to 4 variables with similar levels of demonstrated selectivity. The method was further improved by patterning rods which harvested energy in the near infrared, which led to a factor of 10 decrease in data acquisition times as well as demonstrated selectivity with a reduced wavelength data set. The combination of a plasmonic-based energy harvesting sensing paradigm with PCA analysis and wavelength down selection offers a novel path towards simplification and integration of plasmonic-based sensing methods using selected wavelengths rather than a full spectral analysis. Integration efforts were designed and modeled for thermal and mass transport considerations by UTAS which led to the 3D printing of scaled models that would serve as the housing for the alternative energy harvesting plasmonic chemical sensor design developed by CNSE.

47 OTHER INSTRUMENTATION↗

DOE OSTI2016

2015 Progress Report/July 2016: Iron Oxide Redox Transformation Pathways: The Bulk Electrical Conduction Mechanism

Despite decades of research on the reactivity and stable isotope properties of Fe oxides, the ability to describe the redox behavior of Fe oxides in the environment is still quite limited. This is due, in large part, to the analytical and spatial complexities associated with studying microscopic processes at the Fe oxide-water interface. This project had the long-term vision of filling this gap by developing a detailed understanding of the relationship between interfacial ET processes, surface structure and charge, and mineral semiconducting properties. We focused on the Fe(III)-oxides and oxyhydroxides because of their geochemical preponderance, versatility in synthesis of compositionally, structurally, and morphologically tailored phases, and because they are amenable to a wide range of surface and bulk properties characterization. In particular, reductive transformation of phases such as hematite (α-Fe 2 O 3 ) and goethite (α-FeOOH) in aqueous solution can serve as excellent model systems for studies of electron conduction processes, as well as provide valuable insights into effect of nanoscale conductive materials on contaminant fate at DOE sites. More specifically, the goal of the Iowa component of this project was to use stable Fe isotope measurements to simultaneously measure isotope specific oxidation states and concentrations of Fe at the hematite-water and goethite-water interface. This work builds on our previous work where we used an innovative combination of 57 Fe Mössbauer spectroscopy and high precision isotope ratio measurements (MC-ICP-MS) to probe the dynamics of the reaction of aqueous Fe(II) with goethite. Mössbauer spectroscopy detects 57 Fe only among all other Fe isotopes and we have capitalized on this to spectroscopically demonstrate Fe(II)-Fe(III) electron transfer between sorbed Fe(II) and Fe(III) oxides (Handler, et al., 2009; Gorski, et al. 2010; Rosso et al., 2010). By combining the Mössbauer spectroscopy and stable isotopes measurements, we have been able to simultaneously track the oxidation state and isotope concentration of the bulk Fe oxide and aqueous Fe. One of our most compelling findings is that despite the apparent stability of the Fe(II)-goethite system, there is actually a tremendous amount of Fe atom cycling occurring between the aqueous phase and the bulk goethite as indicated by the isotopic composition of both phases approaching the mass balance average (Handler et al., 2009). How such extensive re-crystallization and Fe atom exchange can occur with no significant morphological change is a fascinating question. Based on previous work from PI Rosso’s group showing that a potential gradient across hematite crystal faces leads to conduction through hematite and growth and dissolution at separate crystal faces we proposed that a redox-driven recrystallization could be occurring that would explain the extensive mixing observed with the isotope data. From our previous studies utilizing Mössbauer spectroscopy, we know that sorption of Fe(II) onto goethite results in electron transfer between the sorbed Fe(II) and the structural Fe(III) in goethite. Oxidation of the sorbed Fe(II) produces growth of goethite on goethite (i.e., homoepitaxy), as well as injection of an electron into goethite. It is possible that electron transfer from sorbed Fe(II) occurs across a potential gradient, and that Fe(II) atoms are dissolved at a different location on the goethite surface. These newly-reduced Fe(II) atoms could then dissolve into the aqueous phase, exposing fresh Fe(III) goethite to the aqueous phase. Through a repeated series of these five steps of sorption–electron transfer–crystal growth–conduction– dissolution, a redox-driven conveyor belt, could be established that would allow all of the goethite to be eventually exposed to the aqueous phase and exchanged. This surface-mediated recrystallization process would result in similar Fe isotope distributions in the aqueous phase and goethite particle, as we have observed here. It would also result in a stable aqueous Fe(II) concentration, if there were equal rates of goethite growth and dissolution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

CRADA FINAL REPORT FOR CRADA NO. CR-08-001 CEMENTITIOUS BARRIERS PARTNERSHIPS

The Cementitious Barriers Partnership (CBP), led by the Savannah River National Laboratory, has achieved its ultimate purpose to support progress in final treatment and disposal of legacy waste and closure of High-Level Waste (HLW) tanks in the DOE complex. The CBP achieved its goal by developing experimental programs with results that supported the development of a reasonable and credible set of software tools to improve understanding and prediction of the structural, hydraulic and chemical performance of cementitious barriers and waste forms used in nuclear applications. These experimental data and software tools are and will continue to reduce the uncertainties in the current methodologies for assessing cementitious barrier performance and increase the consistency and transparency of the assessment process. The CBP has made a significant impact in reducing risk and uncertainties in the performance assessments that directly impact U.S. Department of Energy (DOE) environmental cleanup and closure programs. The CBP has developed an experimentally-based, integrated modeling tool that serves as a screening tool known as the CBP Software Toolbox, Version 3.0. The CBP products reduce the uncertainties of current methodologies for assessing cementitious barrier performance and increasing the consistency and transparency of the DOE assessment process. This CBP Software Toolbox predicts the hydraulic properties and chemical stability of cement matrix phases and release fluxes of constituents, in response to variable boundary conditions. Therefore, the CBP tools are reducing the uncertainty by coupling multiscale and multi-physics processes, including physical-chemical evolution and transport phenomena applied to heterogeneous materials with changing boundary conditions. In addition, the CBP Experimental and Characterization Program has provided test data to support chemical and physical degradation mechanisms for cementitious barriers. These tools have application to low activity waste forms, high level waste tank closure, D&D and entombment of major nuclear facilities, landfill waste acceptance criteria, and in-situ grouting and immobilization of vadose zone contamination. The CBP also provided: 1) a forum for DOE-NRC technical exchange, 2) material characterization to support performance assessment (PA) predictions, 3) uncertainty reduction in PA predictions, 4) base case performance to improve PA predictions, and 5) improvement in understanding and quantification of moisture and contaminant transport used in PAs. Additional CBP accomplishments include: sponsorship of a national test bed workshop to obtain collaboration in establishing the path forward to obtain actual data supporting future predictions of cementitious barrier performance, and participation in an International Atomic Energy Agency (IAEA) Cooperative Research Project on the use of cementitious barriers for low-level radioactive waste treatment and disposal.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2013

Daemen Alternative Energy/Geothermal Technologies Demonstration Program, Erie County

The purpose of the Daemen Alternative Energy/Geothermal Technologies Demonstration Project is to demonstrate the use of geothermal technology as model for energy and environmental efficiency in heating and cooling older, highly inefficient buildings. The former Marian Library building at Daemen College is a 19,000 square foot building located in the center of campus. Through this project, the building was equipped with geothermal technology and results were disseminated. Gold LEED certification for the building was awarded. 1) How the research adds to the understanding of the area investigated. This project is primarily a demonstration project. Information about the installation is available to other companies, organizations, and higher education institutions that may be interested in using geothermal energy for heating and cooling older buildings. 2) The technical effectiveness and economic feasibility of the methods or techniques investigated or demonstrated. According to the modeling and estimates through Stantec, the energy-efficiency cost savings is estimated at 20%, or $24,000 per year. Over 20 years this represents $480,000 in unrestricted revenue available for College operations. See attached technical assistance report. 3) How the project is otherwise of benefit to the public. The Daemen College Geothermal Technologies Ground Source Heat Pumps project sets a standard for retrofitting older, highly inefficient, energy wasting and environmentally irresponsible buildings that are quite typical of many of the buildings on the campuses of regional colleges and universities. As a model, the project serves as an energy-efficient system with significant environmental advantages. Information about the energy-efficiency measures is available to other colleges and universities, organizations and companies, students, and other interested parties. The installation and renovation provided employment for 120 individuals during the award period. Through the new Center, Daemen will continue to host a range of events on campus for the general public. The College does not charge fees for speakers or most other events. This has been a long-standing tradition of the College.

15 GEOTHERMAL ENERGY↗

DOE OSTI2015

Technology Performance Report: Duke Energy Notrees Wind Storage Demonstration Project

Duke Energy Renewables owns and operates the Notrees Wind Farm in west Texas’s Ector and Winkler counties. The wind farm, which was commissioned in April 2009, has a total capacity of 152.6 MW generated by 55 Vestas V82 turbines, one Vestas 1-V90 experimental turbine, and 40 GE 1.5-MW turbines. The Vestas V82 turbines have a generating capacity of 1.65 MW each, the Vestas V90 turbine has a generating capacity of 1.86 MW, and the GE turbines have a generating capacity of 1.5 MW each. The objective of the Notrees Wind Storage Demonstration Project is to validate that energy storage increases the value and practical application of intermittent wind generation and is commercially viable at utility scale. The project incorporates both new and existing technologies and techniques to evaluate the performance and potential of wind energy storage. In addition, it could serve as a model for others to adopt and replicate. Wind power resources are expected to play a significant part in reducing greenhouse gas emissions from electric power generation by 2030. However, the large variability and intermittent nature of wind presents a barrier to integrating it within electric markets, particularly when competing against conventional generation that is more reliable. In addition, wind power production often peaks at night or other times when demand and electricity prices are lowest. Energy storage systems can overcome those barriers and enable wind to become a valuable asset and equal competitor to conventional fossil fuel generation.

17 WIND ENERGY↗

DOE OSTI2016

Fracture Evolution Following a Hydraulic Stimulation within an EGS Reservoir

The objective of this project was to develop and demonstrate an approach for tracking the evolution of circulation immediately following a hydraulic stimulation in an EGS reservoir. Series of high-resolution tracer tests using conservative and thermally reactive tracers were designed at recently created EGS reservoirs in order to track changes in fluid flow parameters such as reservoir pore volume, flow capacity, and effective reservoir temperature over time. Data obtained from the project would be available for the calibration of reservoir models that could serve to predict EGS performance following a hydraulic stimulation.

15 GEOTHERMAL ENERGY↗

DOE OSTI2018

South Carolina Solar Development - Tracking the Effects of Act 236 (2014-2017)

Since 2014, the installed solar capacity in South Carolina (SC) has mushroomed from 5.5 megawatts to more than 354 megawatts today. Concurrently, the number of customer-sited, load-centered solar generation was expected to grow from less than 600 statewide to as many over 10,000 today. This growth was the direct result of a landmark state policy initiative, Act 236, passed by the SC General Assembly and signed into law by the Governor in June of 2014. Local policy makers in SC were ill-equipped to handle the onslaught of solar permitting and zoning requests expected by 2021. Similarly, the state’s building inspectors, first responders, and tax assessors know little about photovoltaic (PV) technology and best practices. Finally, SC’s workforce and workforce trainers were underprepared to benefit from the tremendous opportunity created by the passage of Act 236. Each of these deficits in knowledge of and preparedness for solar PV translated into higher “soft costs” of installed solar PV in SC. The Savannah River National Laboratory (SRNL), together with almost a dozen electricity stakeholders in the Southeast, has studied the ability of Act 236 to serve as replicable model for solar PV cost reduction. In 2015, this study began with a focus on the effects of Act 236 to offer a unique perspective and understanding of the actual impact of rapidly integrating solar energy into the electric grid. This study would analyze the impact of starting at a solar PV penetration of 0.1% and increasing to over 2%, while expanding access, developing regional specific training and educational materials, and developing datasets to support expanding solar markets. Through targeted tracking and analysis, the team developed a baseline of the current market, identified the major obstacles in soft cost reduction, and cooperatively developed stakeholder-centric strategies. This work has enabled us to directly track and report on the growth and effects of recently enacted solar legislation on the industry. This report marks the final in a series of reports examining the effects of Act 236 on the solar economy in SC since 2014.

14 SOLAR ENERGY↗

DOE OSTI2018

Determining the Release of Radionuclides from SRS Tank 12H Waste Residual Solids Following Tank Closure

Eight High Level Waste (HLW) tanks used to store radioactive waste slurries have been emptied and closed at the Savannah River Site (SRS). Performance Analyses (PA) modeling of the release of radionuclides from residual waste solids in these tanks into the environment over extended time periods indicated the most likely risk drivers for environmental contamination. Radionuclide leaching studies were desired to provide additional information regarding the residual waste solubility assumptions used in the models. This report serves to provide equilibrium solubility data for several radionuclides identified as risk drivers and adds to the database of solubility values reported in the previous analogous study with Tank 18F solids. Pore water leaching studies were conducted on actual SRS Tank 12H residual waste solids to support Liquid Waste tank closure efforts and closed tank Performance Analyses. Tank 12H was exposed to extensive mechanical cleaning, caustic aluminum dissolution, and oxalic acid chemical cleaning prior to closure. The methodology utilized for leach testing was developed during previous testing. Slurries of tank residual solids and grout-representative solids in simulated grout pore water solutions (based on SRS groundwater compositions) with pH and E h values expected during the aging of the closed waste tank were produced. The soluble concentrations of selected radionuclides were analyzed versus time to confirm equilibrium conditions were achieved. These are the first leach studies conducted on waste tank residuals exposed to these cleaning conditions.

Eh↗

DOE OSTI2019

Illuminating the Role of Women at the Department of Energy National Laboratories

The early contributions of female researchers such as Marie Curie and Lisa Meitner to physics—and ultimately to the Manhattan Project—have been widely recognized and documented. In addition, numerous historical accounts have revealed the significant impacts of other female scientists, engineers, and technologists during the Manhattan Project. Despite the strong role of women in the Manhattan Project, the momentum has not continued into the present day, as reflected by the current demographics of the Department of Energy (DOE) National Laboratories. Although the overall U.S. workforce is about 50% female, the workforce at the DOE National Labs is only about 30% female. The statistics for technical management and research staff at the DOE National Labs are even more dire; women make up only about 18% of these ranks in contrast to the percentages of women in computer science (25%) and physical science (39%) in the U.S. workforce. These current statistics are not the desired state for the DOE National Labs and contrast sharply with the long history of accomplishments by women at the Labs. We believe the DOE National Labs should lead the charge on diversity and inclusion (D&I) and serve as a model enterprise for bringing women into our scientific and technical workforce.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2021

Effects of nitrogen on tungsten surfaces investigated with low energy ion scattering

The effect of nitrogen on the surfaces of polycrystalline ITER-grade tungsten and a tungsten single crystal were studied with low energy ion scattering (LEIS) and direct recoil spectroscopy (DRS). LEIS and DRS measurements on both tungsten surfaces were performed in an ultra-high vacuum system as various quantities of N 2 were introduced into the chamber through a variable leak valve. The obtained ion energy spectra reveal that nitrogen was readily adsorbed onto the surface, in turn limiting the amount of hydrogen that could be adsorbed onto the surface. These results not only provide insight into how the presence of nitrogen on tungsten surfaces may play a role in hydrogen adsorption and retention, but also serve to benchmark models being developed to describe the H-N-W system.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Marine Shallow Cloud Adjustments to the Presence of Shortwave-Absorbing Aerosols: Advancing Understanding Through a Combined Analysis of Lasic Datasets and Process Modeling (Final Report)

This is a final report for this award, whose purpose was to support the analysis of data emanating from the LASIC (Layered Atlantic Smoke Interaction with Clouds) campaign. (Layered Atlantic Smoke Interactions with Clouds) is a strategy to improve our understanding of aged carbonaceous aerosol, its seasonal evolution, and the mechanisms by which clouds adjust to the presence of the aerosol. The observational strategy centers on deploying the AMF1 cloud, aerosol, and atmospheric profiling instrumentation to Ascension Island, located within the trade-wind shallow cumulus regime (14.50W, 80S) 3000 km offshore of continental Africa. The location is within the latitude zone of the maximum outflow of aerosol, with the deepening boundary layer known to entrain free-tropospheric smoke. The primary activities for LASIC are: 1) to improve current knowledge on aged biomass burning aerosol and its radiative properties as a function of the seasonal cycle; 2) to use surface-based remote sensing to sensitively interrogate the atmosphere for the relative vertical location of aerosol and clouds; 3) to improve our understanding of the cloud adjustments to the presence of shortwave-absorbing aerosol within the vertical column, both through aerosol-radiation and through aerosol-cloud interactions; 4) to aid low cloud parameterization efforts for climate models. This award serves to further these activities and includes a sub-award to Dr. Pablo Saide at UCLA for activities 3) and 4).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

FY20 Proxy App Suite Release: Report for ECP Proxy App Project Milestone ADCD-504-10

Version 4.0 of the ECP Proxy App Suite is practically unchanged from the previous release. The current set of proxies has proven useful for many aspects of benchmarking and co-design and we see little reason to alter the suite. Although there have been few changes to the ECP suite, the team has been hard at work in other areas. In the area of Machine Learning (ML) we have now created a separate proxy suite dedicated to this scientific applications of ML. The suite includes: miniGAN (Generative Adversarial Networks), miniRL (Reinforcement Learning), CRADL (inline inference), Cosmoflow-Benchmark (Convolutional Neural Network), and MLPerf-DeepCam (Climate Segmentation Benchmark). Section 3 contains more information about these proxies as well as the principles that are guiding the development of the suite. We have surveyed available proxies for several application domains including Computational Fluid Dynamics, Quantum Chemistry, Quantum Computing Simulation, Molecular Dynamics, Monte Carlo Transport, and Density Functional Theory to identify gaps in proxy coverage. Several new proxy apps are either already available or will be released soon to fill these gaps. Section 4 provides full details. Finally, section 5 reports on our continued collaboration with the ECP Continuous Integration (CI) effort to use proxy apps to help identify problems and roadblocks to cross-lab CI. We have also assisted the El Capitan Center of Excellence (COE) to stand up a CI system that will be used to test releases of HPE and AMD software stacks. We hope that the COE effort can serve as a model for ECP by showing how the Proxy App Team can work with AD and ST teams identify critical features, kernels, patterns, etc. and incorporate them into a CI system that will help ensure that Frontier and Aurora will provide those needed capabilities.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Real-Time Optimization Workflow Status Update

Economically optimal and safe operation of integrated energy systems (IES) requires optimization at many different time scales. A real-time optimization (RTO) workflow will attempt to maximize revenue and minimize operational costs on a time scale of minutes to hours. Such a workflow requires the use of a digital twin (DT), which is a virtual representation of a physical system. The DT is updated using real-time data from the physical system, and serves as a model in an optimization framework. The optimization results are then sent back to the physical system to complete the loop. This report details the progress made in developing building blocks for a DT/RTO framework. The Risk Analysis Virtual Environment (RAVEN) platform within the Framework for Optimization of Resources and Economics (FORCE) tool suite can perform many of the tasks required for building a DT and performing RTO. The first item of this report details RAVEN enhancements that enable RAVEN workflows to be run in various environments. Data communication between the physical system and its DT is essential for successful RTO. This includes preprocessing real-time data, loading data into a data warehouse, and querying the stored data. The second section of this report describes the progress made in implementing an adapter in Python in order for Deep Lynx to handle the data communication. Typical dispatch optimization frameworks are built on linear programming (LP). The prototype RTO workflow developed in this report uses an LP problem as a part of a receding-horizon- or economic model predictive control (EMPC) based optimization. The third section of this report details the framework of an RTO workflow in which the system consists of a simple electrical storage device. A DT can be built from a reduced-order model (ROM). Integrating a ROM into a typical LP optimization framework has been challenging because most optimization packages require the user to write algebraic expressions for the system model. The final section of this report shows how an externally built RAVEN ROM can be integrated in an RTO framework by using the Python package Pyomo. This demonstrates the RTO workflow capability from a software-only perspective and is an important step in demonstrating the capability to implement an RTO workflow for a physical system.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Development of an MC&A toolbox for liquid-fueled molten salt reactors with online reprocessing (Final Report)

A critical barrier to the deployment of MSRs is the absence of a well-defined nuclear material control and accounting (MC&A) approach, a vital prerequisite to meet NRC licensing requirements as well as facilitating future international exports. Liquid-fueled MSR variants (especially those incorporating online refueling or reprocessing) present a unique set of challenges to traditional nuclear material control and accountancy. Unlike solid-fueled light-water reactors, traditional item-counting methods cannot be applied as an accountancy strategy. Rather, MC&A approaches to MSR variants (including both uranium and thorium fueled designs) are more analogous to bulk material handling facilities (e.g., enrichment and reprocessing); yet further complicating matters is the fact that fuel medium is also highly radioactive. Meanwhile, the space of MSRs covers a broad range of design parameters, including thermal and fast spectra designs; operation in actinide breeder or burner modes, choice of actinide fuel used (e.g., 235 U, 232 Th / 233 U, denatured 233 U, etc.), pool or loop-type configuration, and even different salt chemistry. Each of these design choices introduce significant challenges to MC&A approaches within MSR facilities. We propose to bridge this gap for liquid-fueled MSRs by developing a modular, component-based test framework for evaluating viable process monitoring and MC&A techniques specifically suited to liquid-fueled MSR system variants employing online refueling or reprocessing. This test platform will consist of a toolbox of independent process modules representing discrete physical units (such as the reactor core, off-gas processing, decay tanks, and actinide separation units), each with its own self-contained physics responsive to the input mass flow, along with appropriate measurement models that can be coupled to key flow points. These dynamic physical signatures thus afford the ability to test the viability and efficacy of potential accountancy techniques under the full range of reactor operating conditions. As process modules are connected via mass flows, the result is a reconfigurable, generic MSR mass flow model capable of serving as an MC&A test platform for a broad spectrum of possible MSR configurations. The resulting MSR MC&A toolbox will enable robust assessment of accountancy strategies for this unique facility type, including analysis of physical feedbacks arising both from depletion of the fuel over time as well as from potential off-normal events, including those introduced by equipment failures (e.g., a pump failure) as well as by malicious action (i.e., attempts to divert material). The proposed toolbox both addresses a critical needs area for the MPACT analysis toolkit while leveraging existing MPACT-sponsored tools, especially with respect to simulation of measurement and accountancy techniques for advanced fuel cycle facilities. Beyond enabling new analysis capabilities for MSR systems, the design of this toolbox will be to such to maximize compatibility with existing MPACT tools, such to enhance existing facility MC&A analysis capabilities.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗