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DOE OSTI2015

A Hard X-ray Study of a Manganese-Terpyridine Dimer Catalyst in a Chromium-Based Metal Organic Framework

Much of today’s scientific research is geared toward discovering clean energy from renewable sources. A promising approach is to split water into its fundamental elements – hydrogen and oxygen. The hydrogen produced from this process is a source of clean energy. Plants carry out this water splitting routinely as a part of photosynthesis, but we cannot do this readily as the reaction requires a lot of energy, negating the value of cleaner and plentiful energy from hydrogen. Adding a catalyst provides an alternative pathway for the reaction so that it can proceed with lower energy input. Many such catalysts have been developed; the one used in this study is manganese based and is called manganese-terpyridine dimer (MnTD). The problem is that when individual molecules of MnTD interact they destroy each other, which limits practical use of the catalyst. However, by placing the catalyst in a Metal Organic Framework (MOF), the molecules of MnTD can be separated so that, in principle, they do not interact with each other and only interact with water. The MOF is essentially a repetition of boxes, and each box should contain one MnTD molecule. However, preliminary studies showed that a different molecule, not MnTD, may be inside the boxes. My research focused on identifying which molecules are present in the MOF. The primary method of analysis used was x-ray powder diffraction, a technique in which x-rays are scattered by a sample, and the intensity of the scattered radiation is measured as a function of scattering angle. Three samples were analyzed; one contained only the MOF, one contained the MOF and catalyst before catalysis, and one contained the MOF and catalyst during catalysis. The diffraction experiments were carried out at the Stanford Synchrotron Radiation Lightsource (SSRL) at SLAC National Accelerator Laboratory. Initial results revealed that the MOF structure falls apart during catalysis. To further analyze the data, I used several computer programs, including GSAS II, FOX, and VESTA. These programs allowed me to create maps that showed regions of electron density within the MOF and gave me clues as to which molecules were present. I found that MnTD was not the catalytic molecule in the MOF. The preliminary studies showed that manganese oxide is likely present, which is consistent with by data. However, the catalytic rate for this system is much higher than that reported for manganese oxide, and thus future studies are needed to verify the identity of the catalytic molecule and determine the reasons for its unusually high rate of catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Methodology Development for Cybersecurity Robustness and Vulnerability Assessment of University Research Reactors

In 2012, the U.S. Nuclear Regulatory Commission (NRC) formed a working group in collaboration with the Test, Research and Training Reactors (TRTR) group to review cyber security programs at US nuclear nonpower reactor (NPR) facilities. Following their review of cyber security at four different university NPR (i.e. university research reactor (URR)) facilities, the NRC staff made recommendations for improvements at URR including 1) augmenting the URR licensees’ understanding of the protective features provided with their physical security systems, 2) educating URR facility staff on cyber security issues, and 3) developing guidance to help the URR facilities maintain adequate cyber security going forward. This three-year project to develop and implement a cyber-security risk assessment methodology and defense-in-depth mitigation strategy for application at URR facilities provides solutions effectively addressing each of the recommendations given in the NRC review referenced above. In support of this project, cyber security documentation and guidance from the NRC, Department of Homeland Security (DHS) Industrial Control Systems (ICS) Cyber Emergency Response Team (CERT), National Institute of Standards and Technology (NIST), and the International Atomic Energy Agency (IAEA), were reviewed. Most of this documentation did not take the unique resources, configuration, and infrastructure associated with URR facilities into account. The NRC-TRTR effective practices document provides useful guidance for implementing cyber security protections at URR, but lacks a structured framework for systematically auditing facility digital control assets (DCA) and evaluating associated cyber threats, vulnerabilities, and risk. The outcomes from this project, therefore, seek to build on the general resources above by providing a straightforward DCA auditing and risk assessment methodology, as well as mitigation strategies, that may be implemented to address the risk of cyber-attack at URR facilities.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

SMART Mobility. Urban Science Capstone Report

The U.S. Department of Energy’s Systems and Modeling for Accelerated Research in Transportation (SMART) Mobility Consortium is a multiyear, multi-laboratory collaborative, managed by the Energy Efficient Mobility Systems Program of the Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office, dedicated to further understanding the energy implications and opportunities of advanced mobility technologies and services. The Urban Science (US) Pillar focuses on maximum-mobility and minimum-energy opportunities associated with emerging transportation and transportation-related technologies specifically within the urban context. Such technologies, often referred to as automated, connected, efficient (or electrified), and shared (ACES), have the potential to greatly improve mobility and related quality of life in urban areas. Although all the SMART Mobility research pillars share some commonalities, Urban Science strives to model, analyze, and gain insights from the perspective of human settlements (the “city”) as a living organism. This is especially critical as the United States is one of the most urbanized countries, and as more and more of the global population migrates to urban areas.1 The urban mobility system consists of a complex network that reaches well beyond roads and vehicles and includes significant investments in public transit, private mobility services (such as taxis and transportation network companies, or TNCs), significant parking reserves, and curb management practices, not to mention the abundance of emerging on-demand micromobility services for the movement of people and goods such as e-bikes and scooters, which make the urban space a dynamic laboratory for mobility. Urban spaces also concentrate employment, markets, services, and attractions, which are the destinations for most trips. The concentration of human activities and ensuing density also creates the need and emphasis for space efficiency in urban environments, which is often less of a constraint in suburban or rural contexts. This mixture of transportation and mobility infrastructure and practice, combined with global urbanization trends, make urban spaces a critical focus of research for developing energy-efficient mobility systems (EEMS).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2021

Coal-dependent Communities in Transition: Identifying Best Practices to Ensure Equitable Outcomes

The U.S. coal industry is experiencing a sharp increase in the numbers of retired and/or decommissioned coal-fired power plants across the U.S. In the years between 2010-2019, around 102 gigawatts (GW) of coal-fired generating capacity has been announced to be decommissioned, representing more than 546 coal-fired power plant units, and an additional 17 GW is planned to be decommissioned by 2025. This change in the energy production landscape presents an impact on the social, environmental, and economic prospects of coal-dependent communities. This report examined the role of communities in the coal power plant decommissioning process and provided community-identified best practices to ensure an equitable process. The experiences of four coal-dependent communities—Wise County, VA, Muskegon, MI, Anderson County, TN, and Becker, MN—are presented as case studies to understand the impacts of the decommissioning process, and associated best practices, from the communities’ perspective. The report results highlight the need to recognize that the decommissioning decision-making process must be community-based to be equitable. Each community’s input is key to the transition away from coal power because there is no one-size-fits-all development plan. In other words, each community’s trajectory through the decommissioning process—from the retirement decision-making stage to the final site redevelopment phase—is unique because each community has distinct needs and wants from the energy transition. What is best for one community may not be suited for another. Ultimately, the framework for site development and community revitalization post-decommissioning cannot be universal because each community’s profile—from a social, cultural, and economic perspective—is different. Community impacts of power plant decommissioning are not limited to job and revenue losses. Communities are likely to be impacted culturally, socially, environmentally, and have long-term health-based impacts that should be acknowledged and addressed in post-retirement plans. Commonly identified decommissioning best practices include: Early and continued engagement throughout, with a number of mediums for communication and feedback (e.g., in-person sessions, virtual meetings, written comment opportunities); Early planning of post-decommissioning projects to replace lost jobs, revenue, and economic activity; Recognition (and mitigation, if possible) of social impacts on the community due to plant closure; Transparency throughout the process, with trusted information being provided about the decommissioning process and timeline; potential impacts on the workforce, economy, and environment; and the feasibility of alternative site uses; Identification of funding sources, technical experts, and/or strategic partnerships to support decommissioning and the affected communities upfront; and, Acknowledgment of communities as stakeholders who have a role in the conversation and right to determine their futures. Three key areas for assisting coal-dependent communities affected by the energy transition: Technical assistance: assessment of site feasibility for alternative uses or to repower with new technologies; Cross-partnership engagement and collaboration: facilitate knowledge-sharing of “lessons learned” about the decommissioning process between communities and provide guidance for decision-making processes; and, Financial assistance: access to grant and/or loan programs to assist with redevelopment survey, bolster community economic security through job creation, and cover environmental clean-up costs. Technical assistance, cross-partnership engagement, and financial aid can be mobilized to help communities throughout various stages of the decommissioning process, including the retirement decision, the site reclamation phase, and eventual revitalization of the site and surrounding community.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2020

Procedure for Creating, Reviewing, and Submitting Input Files into the Benchmark Library

Los Alamos National Laboratory (LANL) has a number of criticality benchmark input files, modeled for use with MCNP, developed and maintained by various organizations including the Nuclear Criticality Safety (NCS) Division, XCP-3, and XCP-5. The purpose of this procedure is to standardize input file creation, review, and maintenance. This procedure incorporates existing practices used by IRSN as documented in the original report and the translation from French in addition to practices used by the LANL NCS Division as documented in. The report relates to input files used for the validation of the continuous energy Monte Carlo code MCNP6 but is general enough to be extended to other codes. This report describes the procedure on how to prepare and use benchmarks (taken mainly from the ICSBEP Handbook) for the validation of calculation routes. In particular, this report describes the procedure to follow in the creation of the input files and their integration in the experimental validation databases.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Challenges and Opportunities for Basic Efficiency Measures in Low-Income Homes: A Southeast Alaska Case Study

Juneau, Alaska is the state's capital city and has a renewable energy goal to reach 80% renewable energy for the space heating and transportation sectors by 2045. In practical terms, this indicates a need to electrify both sectors, to take advantage of the inexpensive hydropower available from the local electric utility, Alaska Energy Light & Power. In an effort to complement and enable electrification, researchers examined the feasibility to deploy storm windows via a case study of installing storm windows in two local low-income homes. Newer models of storm windows provide an extra layer of insulation over existing windows, while preserving operability and views. They can also improve comfort and reduce noise. Researchers worked with the regional housing authority and a local builder to install the storm windows and replace inoperable windows in the two houses in 2021, in addition to conducting pre- and post-installation air leakage tests, energy monitoring, and occupant interviews. The team encountered several challenges, including a lack of egress windows, energy data from a wide variety of heating systems, extremely leaky homes, and installation issues such as windows that were not square. These results point to several barriers to widespread deployment of storm windows in the area, but also open the door to opportunities to design deployment programs that improve safety as well as efficiency.

cold climate↗

DOE OSTI2014

RF BREAKDOWN STUDIES USING PRESSURIZED CAVITIES

Many present and future particle accelerators are limited by the maximum electric gradient and peak surface fields that can be realized in RF cavities. Despite considerable effort, a comprehensive theory of RF breakdown has not been achieved and mitigation techniques to improve practical maximum accelerating gradients have had only limited success. Part of the problem is that RF breakdown in an evacuated cavity involves a complex mixture of effects, which include the geometry, metallurgy, and surface preparation of the accelerating structures and the make-up and pressure of the residual gas in which plasmas form. Studies showed that high gradients can be achieved quickly in 805 MHz RF cavities pressurized with dense hydrogen gas, as needed for muon cooling channels, without the need for long conditioning times, even in the presence of strong external magnetic fields. This positive result was expected because the dense gas can practically eliminate dark currents and multipacting. In this project we used this high pressure technique to suppress effects of residual vacuum and geometry that are found in evacuated cavities in order to isolate and study the role of the metallic surfaces in RF cavity breakdown as a function of magnetic field, frequency, and surface preparation. One of the interesting and useful outcomes of this project was the unanticipated collaborations with LANL and Fermilab that led to new insights as to the operation of evacuated normal-conducting RF cavities in high external magnetic fields. Other accomplishments included: (1) RF breakdown experiments to test the effects of SF6 dopant in H2 and He gases with Sn, Al, and Cu electrodes were carried out in an 805 MHz cavity and compared to calculations and computer simulations. The heavy corrosion caused by the SF6 components led to the suggestion that a small admixture of oxygen, instead of SF6, to the hydrogen would allow the same advantages without the corrosion in a practical muon beam line. (2) A 1.3 GHz RF test cell capable of operating both at high pressure and in vacuum with replaceable electrodes was designed, built, and power tested in preparation for testing the frequency and geometry effects of RF breakdown at Argonne National Lab. At the time of this report this cavity is still waiting for the 1.3 GHz klystron to be available at the Wakefield Test Facility. (3) Under a contract with Los Alamos National Lab, an 805 MHz RF test cavity, known as the All-Seasons Cavity (ASC), was designed and built by Muons, Inc. to operate either at high pressure or under vacuum. The LANL project to use the (ASC) was cancelled and the testing of the cavity has been continued under the grant reported on here using the Fermilab Mucool Test Area (MTA). The ASC is a true pillbox cavity that has performed under vacuum in high external magnetic field better than any other and has demonstrated that the high required accelerating gradients for many muon cooling beam line designs are possible. (4) Under ongoing support from the Muon Acceleration Program, microscopic surface analysis and computer simulations have been used to develop models of RF breakdown that apply to both pressurized and vacuum cavities. The understanding of RF breakdown will lead to better designs of RF cavities for many applications. An increase in the operating accelerating gradient, improved reliability and shorter conditioning times can generate very significant cost savings in many accelerator projects.

43 PARTICLE ACCELERATORS↗

DOE OSTI2021

Robust Molecular Predictive Methods for Novel Polymer Discovery and Applications

Polymeric materials are ubiquitous in modern society and they play an instrumental role in almost all industries, undoubtedly including the energy and environment sectors. Increased demand of energy and awareness to sustainability both necessitates the development of novel polymers with enhanced properties. Unfortunately, their structural and behavioral complexity render such discovery challenging and impeded. To address this problem, scientists are developing various computational modeling techniques and leveraging their power to depict the relationship between structural characteristics of polymers and their properties (such as rheological behaviors), and use such prediction to guide the design and syntheses of novel polymeric materials with enhanced performances. Unfortunately, predicting the relationships between polymer structure and composition with rheological properties via atomistic modeling is still a major challenge because of the extended time and length scales involved. Studying dynamic shear viscosity and linear viscoelasticity using molecular models requires capabilities that have been elusive, including representation of large molecular weight chains with an effective internal scale capable of describing entanglement, shear-rates that are in the s-1 scale with accurate quantitative stresses, and chemically-realistic combinations of both homogeneous and heterogeneous systems. Motivated by these unmet challenges, the overall technical objective of this DOE-STTR Phase II project is to develop robust molecular predictive methods for advanced polymer discovery and applications and especially for designing and demonstrating the “smart” polymer-based waterflooding enhanced oil recovery (EOR) process. In particular, we apply state-of-the-art molecular modeling methods developed by our academic partner, Materials Stimulation Center (MSC) at California Institute of Technology (Caltech), to facilitate and accelerate the experimental discovery processes. During the Phase I of this project, we had focused on development and demonstration of the molecular modeling methods to describe rheological properties of non-Newtonian polymer fluids, and to improve our fundamental understandings of shear-thickening mechanism and kinetics. In Phase II, we further apply the theoretical models to guide our experimental programs to improve our design of smart rheology modifier (SRM) polymers and their optimization for EOR. Specifically, we have three objectives in the Phase II study: (1) to further improve out computational modeling methods, coupling with the advanced machine learning algorithms; (2) to develop cost-effective and efficient SRM-flooding process suitable for EOR applications under typical reservoir conditions; and (3) to further explore the application of our molecular predictive models for innovative material discovery in other industrial applications. The recent development of our multiscale predictive framework allows the successful prediction of rheological properties from the chemical structure for polymers of experimentally relevant molecular weights, and provides an in-silico machine learning engine for screening novel compositions and structures with optimized non-Newtonian response, required for both shear-thinning and shear-thickening applications. Our framework provides: (1) procedures and tools for systematic coarsening from atomistic models and reverse mapping of coarse-grain models to atomistic, (2) unique ab initio methods to characterize the atomistic origin of colloidal and interfacial interactions and phenomena, (3) systematic structure and composition builders based on practical descriptors that drive rheological changes in polymer melts and diluted polymer mixtures, (4) a rheological properties engine capable of predicting viscosity in the zero-shear limit and under realistic dynamic conditions (for shear-rates commensurate with experiments) for large heterogeneous systems, (5) coarse-grain force fields with improved non-bond descriptions based on accurate quantum mechanics, (6) an in-silico screening machine learning engine that feeds from the systematic model builders to cover the descriptors search space, computes the rheological properties from converged trajectories spanning sub-milliseconds and ranks them for each structure/composition using an automated viscosity-vs-shear rate fitness function that can be tuned for shear-thickening, shear-thinning and other rheological responses.

02 PETROLEUM↗

DOE OSTI2018

Management of Metals from Decommissioning of Nuclear Facilities - 18411

The EDF group companies within the Cyclife platform have for decades performed treatment and recycling of metals. With different approaches but all considered international Good Practice, as valuable materials are recovered for safe recycling and volumes in the repositories for radioactive waste are saved. For an efficient decommissioning project, a well-defined waste management process is one of the critical paths, not least when it comes to routes for clearance and recycling of materials. It is easy to underestimate the complexity and bottlenecks caused by shortage of logistic space. In order to mitigate these risks, activities such as strengthening categorization, quantification and adopting different routes based on the material properties should be implemented. By categorization of the of waste and materials considered/classified as contaminated or potentially contaminated it is obvious that the management of the metals is a key parameter in nuclear decommissioning. Analyses performed by the EDF companies shows that a majority of the materials, classified as contaminated, from a BWR/PWR plant are metals. Experience gives that a high percentage of these metals from decommissioning can be subject to recycling either directly upon completion of the clearance process or after certain treatment. Non-technical key parameters like the regulatory requirements on applying the waste hierarchy, the impact on repository programs as well as, not at least, the regulatory and public acceptance of recycling of materials from the nuclear industry are, together with costs essential factors when forming the routing of metals and other waste materials from a decommissioning project. Today the EDF group companies are positioned to provide a wide range of services for management of the contaminated metals from decommissioning projects, spanning from industrial management of metals which directly will be subject general clearance after verification measurements up to decontamination and melting of selected reactor internals for recycling to public domain or within the nuclear industry. In this paper the typical waste material composition for BWR and PWR plants, the different ways to treat/manage the radioactive and potentially radioactive metals including a comparison of the different approach commonly used in a technical, logistical and economical perspectives. A few success stories will be resented as well as lessons learned. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Coffee supply chain planning under climate change

The growing demand but uncertain supply makes the sustainability of the coffee industry a shared concern for all participants along the coffee supply chain. This study proposed a decision-making model that comprises the cultivation management, including shade management and annual agriculture management, and the supply chain logistics. A two-stage stochastic program is presented and used within a rolling horizon scheme that periodically updates input data information to deal with uncertainty associated with future climate scenarios. The program minimizes the total expected cost of the entire supply chain of arabica coffee. The study applied the model to the real case study of arabica coffee bean supply to the U.S. market, trying to answer whether arabica coffee supply can meet the U.S. demand from 2022 to 2050 and how to best mitigate any shortage through corporate-farmer partnerships. The results show that the coffee supply will have a 3% shortage in the future; medium-level shade management and more irrigation and fertilization are possible mitigation strategies. These results demonstrate the need for all participants to adopt suitable technologies for the sustainability of global coffee supply chains together.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

SAS4A/SASSYS-1 Validation with EBR-II Tests Performed During the SHRT Testing Program (Rev. 2)

The EBR-II sodium-cooled fast reactor supported a wide range of fast reactor research activities. The final fifteen years of operations at EBR-II were used for experiments and tests to demonstrate the importance of passive safety in liquid metal reactors and the capability of such systems to provide strong passive responses during off-normal conditions. The Shutdown Heat Removal Test program at EBR-II provided test data supporting the validation of computer codes for design, licensing, and operation of LMRs, among other objectives. The program included nearly sixty tests, most of which were protected and unprotected loss of flow and loss of heat sink tests run at various initial powers and flow rates. This report documents the results of modeling and simulation of tests from the Shutdown Heat Removal Test program to support validation of Argonne’s SAS4A/SASSYS-1 fast reactor safety analysis code. SHRT-17 and SHRT-6 were protected loss of flow tests where a loss of electrical power to all sodium coolant pumps was simulated to demonstrate the effectiveness of natural circulation cooling characteristics. SHRT-45R, SHRT-39, and SHRT-43R were unprotected loss of flow tests where the control rod scram function of the plant protection system was disabled to demonstrate the effectiveness of EBR-II’s passive reactivity feedbacks. BOP-301 and BOP-302R were unprotected loss of heat sink tests that demonstrated how reactivity feedback effects driven by changes to the core inlet temperature can shut down the fission process. PICT-5/6 demonstrated how core power could be increased and decreased via changes in the intermediate sodium and feedwater flow rates. This validation activity leverages modeling and simulation efforts that originated under an International Atomic Energy Agency Coordinated Research Project for benchmark analysis of the EBR-II Shutdown Heat Removal Tests. The SAS4A/SASSYS-1 models originally developed for the CRP have been modernized to utilize new code features and modeling practices. Differences between the predicted and measured test data were explored and the causes of these differences were identified as being due to modeling approximations, uncertainty in transient component behavior, and instrumentation uncertainties. Overall, it was concluded that for all tests simulated there was good agreement between the flow, power, and temperature predictions and the measured data.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2013

AFIP-7 Tomography – 2013 Status Report

This project seeks to assess the geometric stability of the U-Mo monolithic fuel system by evaluating the radiation-induced changes in the AFIP-7 experiment device. Neutron radiography and computed tomography (CT) provide valuable information about the post-irradiation condition of the fuel specimen. Tomographic reconstructions of the AFIP-7 fuel element will be analyzed to assess the geometric condition of the element after irradiation and provide information regarding the condition of the fuel, including gross geometric defects, bowing, twist, plate buckling, cracks, and other defects. The INL, in collaboration with Oregon State University (OSU), Missouri University of Science and Technology (Missouri S&T), and Real Time Tomography, is developing advanced neutron detector systems and tomographic reconstruction techniques to evaluate the AFIP-7 fuel element. Neutron computed tomography using the current neutron radiography technique available at the Neutron Radiography reactor (NRAD) is impractical due to the long time and high cost to produce a set of images for tomographic reconstruction. Advanced neutron radiography systems such as the micro-channel plate (MCP) detector and neutron computed radiography (CR) may reduce the time and cost of acquiring images for neutron CT. The MCP detector system tested at OSU and Missouri S&T provides neutron radiographs and has lower gamma sensitivity compared to other digital acquisition image systems. However, some significant, but not prohibitive, challenges must be overcome to make its use for imaging nuclear fuel more practical. Images taken with the MCP require significant image processing to reduce distortions and correct for the dynamic detector response. Also, the small active area of the detector (~30 mm diameter) requires the collection and combination of several images of a specimen, which may become time-consuming. The MCP is tested in low gamma dose environments, but should also be tested in the gamma field at the INL. In addition to the MCP detector system, the INL is developing neutron computed radiography (CR), which uses the same foil transfer method currently employed at the NRAD, but replaces the film with a photostimulable storage phosphor imaging plate that is sensitive to the decay radiation from the activated transfer foils. Preliminary tests show that neutron CR provides lower, but comparable spatial resolution properties to film radiography images using the transfer method technique already employed at the NRAD. However, there are many factors that affect the spatial resolution of neutron CR that can be adjusted and possibly provide spatial resolution properties that exceed film radiography. The reduction in cost of neutron CR may be significant, which would make neutron imaging more appealing to programs that would benefit from this rare and valuable capability. Because transfer method neutron radiography is expensive and time-consuming, acquisition of a full set of radiographs for tomographic reconstruction is impractical. The INL is developing tomographic reconstruction techniques that require only a small set of radiographs of the AFIP-7 fuel element. These tomosynthesis techniques are tested using archived radiographs of TREAT experiments for CT as a proof of principle. These same techniques are applied to radiographs taken with an MCP detector of a mock-up of the AFIP-7 geometry. Acquisition angle should at least match the curvature of AFIP-7 plates. Lateral (in-plane) reconstruction resolution will be best when the projection angles include views at or near the desired reconstruction view angles. The ends of the fuel plates are angled at ±17.7° relative to the center of the plate. Increasing the number of projections is desirable, but given the constraint of minimizing the number of projections, the projection acquisition angle should also span at least ±17.7° to optimize the lateral resolution of the angled reconstruction planes used to visualize the gaps at the ends of the fuel plates. If possible, enough projections should be used within the initial acquisition angle of 35.4° (±17.7°) to bring the projection angular sampling closer to 1°. Further testing will determine a more specific recommendation for the number and angular distribution of neutron radiographs that will produce the highest quality tomographic reconstruction of the AFIP-7 fuel element.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

2024 Incubator Final Report: Active Hybrid Mooring

This Incubator project has defined and developed a representation of an active hybrid mooring (AHM) system in Simulink to assess whether the speed and accuracy of AHM is sufficient to warrant further investigation in a larger project. We first built a representative mooring system for the VolturnUS-S 15MW floating offshore wind turbine (FOWT) in 1,000-meter water depth to provide baseline loads and displacements needed in the AHM system, with the results showing off-the-shelf actuators would be practical. We then defined model configurations for the numerical and physical substructures, using standalone MoorDyn v2 with a novel input strategy and chained hydraulic actuators represented in Simulink Simscape, respectively. The remainder of the project has focused on verifying the existing models for speed and accuracy against OpenFAST simulations, increasing their complexity to enable six degree of freedom (6DOF) operation, and connecting the numerical and physical substructures into a single holistic model. The verification phase of the project has shown promising results, though further refinement is needed to resolve accuracy discrepancies and for robust performance across a wider range of metocean conditions. The numerical model we developed is computationally stable and operates faster than real time using a time step of 0.01 seconds or shorter, indicating the model is likely fast enough for our AHM design to operate successfully. Additionally, the Simscape model of a hydraulic actuator operates with less than 0.3% relative error when actuating mooring loads from an OpenFAST simulation of the VolturnUS-S 1,000-meter mooring system. The aforementined refinements will be performed in the next year as a Continuing Incubator, with key remaining tasks include programming the predictor-corrector loop to minimize movement error, testing against more complex nonlinear wave cases, and expanding to enable loads from connected shared mooring lines.

17 WIND ENERGY↗

DOE OSTI2018

An efficient algorithm for the projection of a point on the intersection of two hyperplanes and a box in $\mathbb {R}^n$

Here, we present an efficient strongly polynomial algorithm for the projection of a point on the intersection of two hyperplanes and a box in $\mathbb {R}^n$ . Interior point methods are the most efficient algorithm in the literature to solve this problem. While efficient in practice, the complexity of interior-point methods is bounded by a polynomial in the dimension of the problem and in the accuracy of the solution. Moreover, their efficiency is highly dependent on a series of parameters depending on the specific method chosen (especially for nonlinear problems), such as step size, barrier parameter, accuracy, among others. We propose a new method based on the KKT optimality conditions. In this method, we write the problem as a function of the Lagrangian multipliers of the hyperplanes and seek to find the pair of multipliers that corresponds to the optimal solution. We prove that the algorithm has complexity $O(n^2 \log n)$ .

42 ENGINEERING↗

DOE OSTI2019

Techno-Economic Analysis and Life Cycle Assessment for Guiding Bioenergy Pathway Development

The Center for Bioenergy Innovation (CBI) is a bioenergy research center recently launched by the U.S. Department of Energy Office of Science's Biological and Environmental Research program. CBI's objective is to enable innovations across the bioenergy supply chain through development of poplar and switchgrass phenotypes, microorganisms for consolidated bio-processing (CBP), in which biomass fermentation and conversion is accomplished in a single unit operation, and lignin valorization processes. In addition to basic science, CBI's activities involve the application of techno-economic analysis (TEA) and life cycle assessment (LCA) to the bioenergy pathways under study. TEA and LCA is used to quantify the impacts that research and development breakthroughs have on the economic viability and sustainability of a bioenergy pathway, and to identify drivers for reducing costs and improving sustainability through targeted research efforts. Combining TEA and LCA allows for understanding the economic and sustainability benefits and trade-offs of these integrated bioenergy systems. The focus of this presentation is a parameterized, integrated TEA-LCA model, which will be discussed along with an application to bioenergy pathways currently under study. The model combines data and information developed by CBI researchers into a superstructure of potential bioenergy pathways and their life cycles. Model parameters include feedstock species and phenotype, farming, harvesting, storage and transportation practices, and the microbes used for biomass conversion and lignin valorization, among others. The parameterized TEA-LCA model allows for the rapid quantification of pathway economic and sustainability metrics such as minimum fuel selling price, payback period, fossil fuel consumption and net greenhouse gas emissions. To demonstrate the model, economic and sustainability metrics for a bioenergy pathway utilizing CBP will be quantified and compared to the same metrics for a conventional bioenergy pathway. Results of the comparison will be used to identify and prioritize high-impact research areas within the CBP pathway. fermentation and conversion is accomplished in a single unit operation, and lignin valorization processes. In addition to basic science, CBI's activities involve the application of techno-economic analysis (TEA) and life cycle assessment (LCA) to the bioenergy pathways under study. TEA and LCA is used to quantify the impacts that research and development breakthroughs have on the economic viability and sustainability of a bioenergy pathway, and to identify drivers for reducing costs and improving sustainability through targeted research efforts. Combining TEA and LCA allows for understanding the economic and sustainability benefits and trade-offs of these integrated bioenergy systems. The focus of this presentation is a parameterized, integrated TEA-LCA model, which will be discussed along with an application to bioenergy pathways currently under study. The model combines data and information developed by CBI researchers into a superstructure of potential bioenergy pathways and their life cycles. Model parameters include feedstock species and phenotype, farming, harvesting, storage and transportation practices, and the microbes used for biomass conversion and lignin valorization, among others. The parameterized TEA-LCA model allows for the rapid quantification of pathway economic and sustainability metrics such as minimum fuel selling price, payback period, fossil fuel consumption and net greenhouse gas emissions. To demonstrate the model, economic and sustainability metrics for a bioenergy pathway utilizing CBP will be quantified and compared to the same metrics for a conventional bioenergy pathway. Results of the comparison will be used to identify and prioritize high-impact research areas within the CBP pathway.

09 BIOMASS FUELS↗

DOE OSTI2017

Social relations: A critical reflection on the notion of social impacts as change

This article seeks to reflect upon the dominant conception of social impacts as the change produced by development projects and programs, and the ways in which those affected perceive and experience them. Identifying change may be a necessary but not sufficient step in acknowledging the complexity of social life. Engaging with critical scholarship produced in the fields of both social impact assessment (SIA) and of the social studies of technical/planned interventions, I discuss how the understanding of social impacts as change responds ultimately to a causal–instrumental logic that, in order to make sense of the complexity of social life, tends to reduce it to a series of variables and matrices. I suggest a complementary dialectical approach focusing on social relations. This approach, allows an alternative means of analysing social impacts concerning the way policies and projects reconfigure conditions and possibilities on a societal level. To accomplish this, and in order to go beyond the sequence of potential impacts (or changes) and their generic indicators, I propose a set of analytical questions that highlight how social relations are structured. Besides, on the assumption that development is both a form of governance and a space of contestation, negotiation, and activism, this approach may contribute to further the potential for reflection and mobilisation that the practice of SIA presents. - Highlights: •Change, which is inherent to social life, is insufficient to determine social impacts. •The critique of causal-instrumental logic provides insights to reflect on social impacts. •Social impacts should rather refer to how interventions reconfigure social relations. •The complex, mutually constitutive nature of social phenomena may thus be recognized. •SIA should go beyond change to the understanding of its socio-political significance.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2015

A comprehensive data acquisition and management system for an ecosystem-scale peatland warming and elevated CO 2 experiment

Ecosystem-scale manipulation experiments represent large science investments that require well-designed data acquisition and management systems to provide reliable, accurate information to project participants and third party users. The SPRUCE project (Spruce and Peatland Responses Under Climatic and Environmental Change, http://mnspruce.ornl.gov ) is such an experiment funded by the Department of Energy's (DOE), Office of Science, Terrestrial Ecosystem Science (TES) Program. The SPRUCE experimental mission is to assess ecosystem-level biological responses of vulnerable, high carbon terrestrial ecosystems to a range of climate warming manipulations and an elevated CO 2 atmosphere. SPRUCE provides a platform for testing mechanisms controlling the vulnerability of organisms, biogeochemical processes, and ecosystems to climatic change (e.g., thresholds for organism decline or mortality, limitations to regeneration, biogeochemical limitations to productivity, and the cycling and release of CO 2 and CH 4 to the atmosphere). The SPRUCE experiment will generate a wide range of continuous and discrete measurements. In order to successfully manage SPRUCE data collection, achieve SPRUCE science objectives, and support broader climate change research, the research staff has designed a flexible data system using proven network technologies and software components. The primary SPRUCE data system components are the following; 1. data acquisition and control system – set of hardware and software to retrieve biological and engineering data from sensors, collect sensor status information, and distribute feedback to control components; 2. data collection system – set of hardware and software to deliver data to a central depository for storage and further processing; and 3. data management plan – set of plans, policies, and practices to control consistency, protect data integrity, and deliver data. This publication presents our approach to meeting the challenges of designing and constructing an efficient data system for managing high volume sources of in situ observations in a remote, harsh environmental location. Finally, the approach covers data flow starting from the sensors and ending at the archival/distribution points, discusses types of hardware and software used, examines design considerations that were used to choose them, and describes the data management practices chosen to control and enhance the value of the data.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Rossi-alpha Uncertainty Quantification by Analytic, Bootstrap, and Sample Methods to Inform Fitting Best Practices

The prompt neutron period (the negative reciprocal of the prompt neutron decay constant) can be estimated using the Rossi-alpha technique that is predicated on fitting Rossi alpha histograms and of interest in nuclear criticality safety and nonproliferation. The histograms are traditionally fit with a one-exponential model; however, recent work has proposed a two-exponential model to account for reflector induced phenomenon. Until recently, the uncertainty quantification for either model was inadequate (inaccurate and demanded large measurement times). Measurement uncertainty quantification by sample and analytic methods was developed and validated in Ref. The purpose of this transaction is to (i) validate a new bootstrap method by comparing bin-by-bin error bar estimates and (ii) demonstrate how to choose bin widths and reset times to optimize precision and accuracy.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗