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At least 1,243 records · Page 69

Synthetic Microbial Consortium for Biological Breakdown and Conversion of Lignin

The plant polymer lignin is the most abundant renewable source of aromatics on the planet and conversion of it to valuable fuels and chemicals is critical to the economic viability of a lignocellulosic biofuels industry and to meeting the DOE’s 2022 goal of $\$2.50$/gallon mean biofuel selling price. Presently, there is no efficient way of converting lignin into valuable commodities. Current biological approaches require mixtures of expensive ligninolytic enzymes and engineered microbes. This project was aimed at circumventing these problems by discovering commensal relationships among fungi and bacteria involved in biological lignin utilization and using this knowledge to engineer microbial communities capable of converting lignin into renewable fuels and chemicals. Essentially, we aimed to learn from, mimic and improve on nature. We discovered fungi that synergistically work together to degrade lignin, engineered fungal systems to increase expression of the required enzymes and engineered organisms to produce products such as biodegradable plastics precursors.

09 BIOMASS FUELS↗

FORCE-DISPATCHES Integration - Initial Demonstration

Integrated energy systems (IES) combine, in mutually beneficial ways, power from variable renewable energy sources and nuclear power plants (NPP) to improve economic viability under uncertain market and weather conditions. The open-source Framework for Optimization of Resources and Economics (FORCE) tool suite, developed at Idaho National Laboratory (INL), has enabled comprehensive modeling and simulation of IES. The capabilities within FORCE include grid portfolio optimization through the Holistic Energy Resource Optimization Network (HERON) and the transient process model analysis library HYBRID, among others. Continuous efforts and investments from the IES programs have been made to expand and improve the versatility of the FORCE toolset in fiscal year 2022. Code-coupling and cross-tool communication have been important methods for improving this versatility. This report focuses on an additional workflow in the HERON tool for capacity and dispatch stochastic optimization through integration with the external tool Design Integration and Synthesis Platform to Advance Tightly Coupled Hybrid Energy Systems (DISPATCHES). DISPATCHES was primarily developed by the National Energy Technology Laboratory, in collaboration with other national laboratories, which included INL, universities, and industry partners. It is coupled to a library of algebraic models for specific plant components, and to a framework for stochastic optimization different from that provided in the current Risk Analysis Virtual Environment (RAVEN)-running-RAVEN algorithm in HERON. HERON currently conducts stochastic optimization via an outer-inner loop: it optimizes over variable capacity on the outer loop, and at each step within the capacity parameter space, conducts an inner optimization over scenarios (of market signals, demand, and/or weather patterns) and hourly dispatch throughout a user-specified number of years. On the other hand, DISPATCHES conducts stochastic optimization via an “all-at-once” strategy in which capacity variables are optimized at the same level as dispatch variables, as all scenarios are considered at once. The latter method works especially well for projects of limited size and project length, as the necessary computational power and memory increases with the number of variables and scenarios. The new capability to use the DISPATCHES workflow in HERON enhances standalone simulations by leveraging FORCE tools—namely, the economic metrics from the Tool for Economic Analysis (TEAL) and reduced-order model (ROM) sampling from RAVEN. The initial demonstration of the DISPATCHES workflow simulates an existing nuclear-case flowsheet within the DISPATCHES repository—this models a NPP with a secondary revenue stream for hydrogen production. Electrical output from the plant is converted to hydrogen via a proton-exchange membrane (PEM) electrolyzer, hydrogen tanks are used for storage, and an additional turbine is added for hydrogen combustion. Continued work regarding this FORCE-DISPATCHES integration will include automatic generation of DISPATCHES models from HERON inputs, offering analysts the option of using either the RAVEN-runsRAVEN or DISPATCHES workflow to solve technoeconomic optimization problems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Corrosion-Resistant Coatings on Spent Nuclear Fuel Canisters to Mitigate and Repair Potential Stress Corrosion Cracking (FY22 Status)

This report summarizes the activities performed by Sandia National Laboratories in FY22 to identify and test coating materials for the prevention, mitigation, and/or repair of potential chloride-induced stress corrosion cracking in spent nuclear fuel dry storage canisters. This work continues efforts by Sandia National Laboratories that are summarized in previous reports in FY20 and FY21 on the same topic. The previous work detailed the specific coating properties desired for application and implementation to spent nuclear fuel canisters (FY20) and identified several potential coatings for evaluation (FY21). In FY22, Sandia National Laboratories, in collaboration with four industry partners through a Memorandum of Understanding, started evaluating the physical, mechanical, and corrosion-resistance properties of 6 different coating systems (11 total coating variants) to develop a baseline understanding of the viability of each coating type for use to prevent, mitigate, and/or repair potential stress corrosion on cracking on spent nuclear fuel canisters. This collaborative R&D program leverages the analytical and laboratory capabilities at Sandia National Laboratories and the material design and synthesis capabilities of the industry collaborators. The coating systems include organic (polyetherketoneketone, modified polyimide/polyurea, modified phenolic resin), organic/inorganic ceramic hybrids (silane-based polyurethane hybrid and a quasi-ceramic sol-gel polyurethane hybrid), and hybrid systems in conjuncture with a Zn-rich primer. These coatings were applied to stainless steel coupons (the same coupons were supplied to all vendors by SNL for direct comparison) and have undergone several physical, mechanical, and electrochemical tests. The results and implications of these tests are summarized in this report. These analyses will be used to identify the most effective coatings for potential use on spent nuclear fuel dry storage canisters, and also to identify specific needs for further optimization of coating technologies for their application on spent nuclear fuel canisters. In FY22, Sandia National Laboratories performed baseline testing and atmospheric exposure tests of the coating samples supplied by the vendors in accordance with the scope of work defined in the Memorandum of Understanding. In FY23, Sandia National Laboratories will continue evaluating coating performance with a focus on thermal and radiolytic stability.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Carbon Electrodes from Powder River Basin Coal Development of Competitive Supercapacitor Electrodes of Diverse Compositions from Coal Extract

Recent demand for coal as a thermal energy source has decreased significantly and will likely continue to decrease as renewable sources of energy become more available and environmental concern and cost from burning coal makes it more costly than renewables. Given that Powder River Basin (PRB) coal in Wyoming has relatively low thermal energy, it is critical for Wyoming to employ coal in other capacities at the current energy transition period in history. Among many potential non-thermal applications, PRB coal can be utilized for membrane and electrode applications through the formation of carbon fibers. Coal-derived membranes can become low-cost, conductive membranes for use in electrodialysis separation processes. Carbon fiber derived electrodes have been shown be a cost-effective alternative to typical electrode materials that can meet or exceed the performance of current carbon electrode materials. In this talk, we demonstrate the manufacture of supercapacitor electrodes from Powder River Basin (PRB) coal-derived precursors. Specifically, PRB coal was treated in cheap solvents, partitioned into liquid extract and solid residue. An electropinning process has been developed that can convert either the liquid extract or the solid residue into carbon fiber mats. The electrospinning process is versatile with many tunable process parameters to achieve desirable physiochemical properties. For example, the coal residue can be manipulated by additional heat treatment, or by adding binders, salts, or surfactants to create a solution that can be electrospun into advanced carbon electrodes with desirable structural and surface properties. Similarly, some of the liquid extract (tar fraction) can be subsequently reacted with toluene diisocyanate to create resinous coal-derived polyurethane (PUs) as a spinnable ink. Carbon nanofiber mats made from our proprietary electrospinning process were further carbonized at temperature ranging from 700°C to 900°C before they are used as electrodes in supercapacitors. Galvanostatic charge-discharge (GCD) results show that the best performing PU fiber mats can deliver a specific capacitance of 604 F g -1 at the current density of 1 A g -1 . A carbon fiber mat from a different solvent extraction residue also delivered the specific capacitance of 508 F g -1 . These specific capacitance values are comparable to or better than commercial activated carbons, demonstrating the viability of manufacturing carbon nanofiber electrodes from coal without the use of a commercial polymer as binder in the spinning ink.

Cincotta, Robert↗

Multimode Characterization Approach for Understanding Cell-Level PV Performance and Degradation

Cell-level degradation processes impact the economic viability and large-scale deployment prospects for both established and emerging photovoltaic (PV) technologies. This project addresses the need to develop experimental and device-modeling approaches for studying cell-level degradation processes in photovoltaic (PV) devices using a variety of characterization techniques that provide access to complementary material and device properties. Our results demonstrate that by coupling characterization results with device modeling it is possible to develop comprehensive understanding of processes leading to performance limitations and degradation. This project developed a suite of novel measurement techniques including pulsed-light-bias operando X-ray and photoelectron spectroscopy (popXPS), light-biased scanning microwave impedance microscopy (sMIM), and near-field transport imaging (TI). In addition, operando characterization methodologies and in situ stressing capabilities have been developed and applied for techniques including electron-beam-induced current (EBIC), cathodoluminescence (CL), and Kelvin probe force microscopy (KPFM). Device-physics models were developed and applied to simulate correlative, multi-mode measurements to extract material and device parameters that control performance degradation. These characterization and modeling techniques were applied in a multi-mode approach to probe cell-level degradation mechanisms in Cd(Se,Te) and hybrid perovskite PV devices. Together these efforts contribute to foundational PV degradation science by establishing a framework for understanding PV performance degradation at the cell level and benefit the U.S. PV industry by providing resources in the form of novel experimental capabilities, knowledge gained, and available expertise that can accelerate research and development of improved PV device materials and architectures. The project provided a comprehensive understanding of degradation in baseline Cd(Se,Te) solar cells provided by our collaborators at Colorado State University (CSU). EBIC and CL-based measurements and revealed unusual collection and recombination profiles in these devices, which underwent significant changes with during stressing. KPFM and operando XPS measurements showed that device stressing permanently alters energy-band alignments at the (Mg,Zn)O/Cd(Se,Te) interface, which in turn account for an observed loss in fill factor. Studies on hybrid perovskite devices were hampered to a significant extent by delays related to the pandemic. Nevertheless, a set of hybrid perovskite devices (supplied through an NREL-industry partnership) were stress tested and characterized with techniques including EBIC, sMIM, popXPS/popUPS and optically excited TI. Available results from these measurements informed the device modeling effort and suggest that defects and related band offsets at the C60/LiF/hybrid perovskite interface are the primary source of degradation in these devices.

14 SOLAR ENERGY↗

Narrow-linewidth laser cooling for rapid production of low-temperature atoms for high data-rate quantum sensing

We present a proof-of-concept demonstration of a narrow linewidth $^{87}$Rb magneto-optical trap (MOT) operating on the narrow linewidth $5S_{1/2}$ → $6P_{3/2}$ transition at 420 nm. We stabilized the absolute frequency of the 420 nm laser to an atomic transition in $^{87}$Rb and demonstrate a MOT using 420 nm light driving the $5S_{1/2}$, $F = 2$ → $6P_{3/2}, F' = 3$ transition. We then use tome-of-flight measurements to characterize the 420 nm MOT temperature, observing a minimum temperature of about $T^{(420)}_{horizontal}$ = 150μK and $T^{(420)}_{vertical}$ = 250μK before the opportunity to perform significant characterization and optimization. Although this temperature is significantly higher then the expected 420 nm Doppler cooling limit ($T_D^{(420)}$ ≈ 34 μK), these are already approaching the Doppler limit of a standard 780 nm MOT ($T_D^{(780)}$ ≈ 146 μK). We believe that with further optimization the Doppler cooling limit of ≈ 34 μK can be achieved. This initial result answers our key research question and demonstrates the viability of applying narrow linewidth laser cooling as a robust technique for future fieldable quantum sensors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Milestone Report: Co-Scheduling Applications on Current and Future Architectures

This report evaluates the viability and performance of co-scheduling scientific applications and workloads between CPUs and GPUs on current and future hardware architectures. This study was performed by collecting hardware independent and memory performance characteristics of 6 ECP mini-applications through Byfl and NSight Systems, by measuring the applications’ co-scheduled performance on current node architectures, and by gathering memory bandwidth utilization data with Intel Advisor and nvprof to begin reasoning about the feasibility of co-scheduling applications on future APU architectures.

97 MATHEMATICS AND COMPUTING↗

Port of New York and New Jersey Drayage Electrification Analysis

The National Renewable Energy Laboratory (NREL) evaluated the potential for drayage electrification in the Port of New York and New Jersey (PoNYNJ), with a focus on operators: Harbor Freight Transport (HF), Safeway Trucking (SWT), and International Motor Freight Inc (IMF). This report summarizes the data collection and electrification evaluation of all three drayage operators, includes detailed operational data, and identifies the performance requirements for battery electric tractors (BETs) and corresponding infrastructure operated within the context of PoNYNJ drayage operation. This report also details a methodology to evaluate opportunities, strategies, and challenges associated with future expansions of BETs in meeting PANYNJ emissions goals. The Port Authority has established a goal of achieving Net Zero carbon emissions by 2050 across all facilities, including from tenant and stakeholder sources such as drayage trucks. NREL used real-world performance data collected on the three PoNYNJ drayage operations, along with modeling and analysis tools to compare BET to diesel trucks. From March to July 2021, NREL collected 1Hz vehicle and engine data from 46 drayage trucks at the three operators totaling nearly 121,000 miles of operation, providing enough information to assess vehicle operations for electrification potential. A Future Automotive Systems Technology Simulator (FASTSim) electric truck powertrain model was validated using PoNYNJ data and scenarios were run to evaluate drayage truck electrification requirements over the real-world cycles. The first scenario examined BET viability with minimal changes to existing operations. This assumes the trucks charge when stopped for two hours or longer, have a functional battery size of 375 kWh, and can charge at 270 kilowatts (kW) average which are the specification of the commercially available Freightliner eCascadia. The second scenario looked at what operational, charging infrastructure, and BET technology changes would be needed to fully electrify. Finally, detailed analysis was run on charging rate structure to understand operational costs to the fleets. The studied drayage trucks averaged 5.1 MPG, spent roughly 9% of their energy at idle, and drove an average of 140 miles per day with a maximum daily distance of 573 miles. The FASTSim model results indicate a comparable BET would use 417 kWh of energy per day on average accounting for cargo weight, which is close to the full usable capacity of the eCascadia currently available on the market. Based on the daily average operating data, partial fleet electrification is possible with current technology. However, some specific days of operation would require over 1,600 kWh of energy due to longer distances traveled by the trucks and more intense operation. Trucks used for long distance and intense operation cannot be readily electrified with current technology without operational changes. Full adoption of BETs could reduce CO 2 emissions from these fleets by roughly 75% today, eliminating 76 metric tons of CO 2 (MTCO 2 ) per vehicle each year, which equates to 24,100 MTCO 2 per year for all three operators. Commercially available direct current fast chargers (DCFC) have charge rates up to 350 kW. Based on the average daily modeled energy use for each operator, current industrial rate structures, and the assumption of 350 kW peak charging, full drayage electrification would increase electricity consumption. In addition, peak demand usage would increase with unmanaged charging along with cost of electricity having a direct impact on cost per mile for electric vehicles. The resulting cost per mile for BETs along with comparable cost per mile for conventional diesel trucks are also examined at $\$$4.00 per gallon of diesel. It will be important for PANYNJ and the drayage operators within the PoNYNJ to consider these load impacts to their existing electrical infrastructure and devise operational strategies that avoid coincident charging of vehicles to mitigate demand charges. Despite these electricity cost increases, savings from reductions in diesel consumption will help offset the costs of this increased electricity consumption. However, prices of both electricity and diesel are subject to change based on various factors meaning the realized savings will vary over time. This shows BETs could be cost-competitive on an energy cost per mile basis for all scenarios while diesel is above $\$$3.00/gal. Further, if diesel prices dropped to the 15-year low of $2.33/gal, it would still be cost competitive to operate the EVs with electricity costs of 16.3 ¢/kWh or less.

33 ADVANCED PROPULSION SYSTEMS↗

Sensing Electrical Networks Securely & Economically (SENSE)

The growing adoption of distributed energy resources (DERs) like battery energy storage systems and roof top solar/PV and the rapid penetration of electric vehicles (EVs), the electric grid is undergoing a major transformation with elevated stress on legacy grid assets. Despite a lot of expenditure to address these challenges, both in dollars and manpower, utilities have not been able to receive the value that was promised. The gains have been most visible at the transmission and substation level, especially where the main objective was improving operational and economic efficiency for the utility. Improving visibility and control at a few select points enhances the existing and established paradigm of centralized command and control. With changing load patterns, load types and the overall transition to an “active grid”, the centralized control and coordination paradigm gets challenged. To address the challenges, a new architecture and mechanism is needed, one that supports decentralized control and decision making, extracting value streams at the grid edge, particularly as the changes are fueled by transitions occurring in the distribution system. To address this, a communications and data processing platform, “GAMMA” was developed and demonstrated through the project. At the heart of the platform, are distributed, intelligent edge nodes with sensing and compute capabilities, that can record and analyze information locally. They are embedded in sensors and actuators specific to different distribution system applications. Phase 1 of the project focused on developing novel sensor technology that can be used for monitoring utility pole top distribution transformers. The sensors were designed with the objective of being low-cost, communicating with the GAMMA cloud using novel “delay-tolerant” networking using Bluetooth and a secure mobile application. They were non-intrusive in nature so that they can be installed quickly in the field, resulting in overall low cost of deployment and operations. Following the successful completion of Phase 1, the team manufactured 100 units for a field demonstration in Phase 2. The field demonstration was carried out on two real feeder systems with the local utility partner. In total, 100 sensors were installed and operated over a period of 6 months in the state of Georgia. The platform is operational end to end, with the cloud infrastructure deployed on a distributed, serverless environment that can serve multiple data streams, an analytics engine and a portal to securely view the data from multiple assets. The data collected through the GAMMA Mobile Phone app showcased the viability of the novel delay tolerant networking architecture, and the data processing algorithms developed through the course of the project, were successful in extracting important information about the overall network, improving the utility’s visibility and situational awareness in the distribution feeder.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Hawai‘i Play Fairway (Final Report)

Most of Hawai'i's geothermal resources are blind—their manifestations, such as hot springs and steam vents, do not appear on the ground surface because the heated water flows far below. With the exception of $K\bar{i}lauea East Rift Zone$, in most areas of Hawai'i, high lateral permeability in the first kilometer below ground surface prevents surface thermal features from developing. As a methodology for discovering these blind resources, Play Fairway Analysis (PFA) involves finding potential locations of blind hydrothermal systems and describing potential geothermal sources in rift-zone settings. Using the PFA to find Hawai'i's geothermal resources, the University of Hawai'i (UH) conducted the Hawai‘i Play Fairway Project, Hawai'i's first statewide geothermal resource assessment since 1985. Sponsored by the U.S. Department of Energy, the Hawai'i Play Fairway Project provided an updated resource assessment, a roadmap for additional exploration activities, and the identification of areas for further exploration. Benefitting from UH's core competency in earth sciences and experienced geothermal researchers, the project comprised three phases. During the first phase, the team identified, compiled, and ranked existing geologic, groundwater, and geophysical datasets relevant to subsurface heat, fluid and permeability. Using a Bayesian statistical approach, the team developed a statistical methodology to integrate these data into a resource probability map. The team evaluated the confidence in the probability value and considered development viability of areas with geothermal resources. With these analyses, the team identified 10 locations in the Hawaiian Islands for exploration activities. For the second phase, the team collected new groundwater data in 10 locations across the state and new geophysical data on $L\bar{a}na‘i, Maui$, and central Hawai'i Island and modeled topographically induced stress to better characterize subsurface permeability. Analyzing the subsurface stresses, the team evaluated the potential for fracture-induced permeability. The team inverted the MT and gravity data to produce 3D models of resistivity and density, respectively, on $L\bar{a}na‘i$, across $Haleakal\bar{a}'s$ SW rift (Maui), and surrounding Mauna Kea (Hawai‘i Island). The team developed and applied a new method for incorporating depth information about resistivity, density, and potential for fracture-induced permeability into the statistical method for computing resource probability in these three focus areas. The team incorporated the new groundwater results with the new geophysical results and the calculations of potential for fracture-induced permeability to produce updated maps of resource probability and confidence. Through combining data from the first and second phases, the team determined locations for further exploration during the third phase. For MT and gravity surveys, the team recommended $Kaua'i's$ $L\bar{i}hu'e$ $Basin$, the east rift of $Maui's$ $Haleakal\bar{a}$ volcano, and the southwest rift of Hawai'i Island's Mauna Loa volcano. The MT and gravity surveys aimed to enable improved confidence in the resource potential in these locations. For drilling deep groundwater well(s), the team recommended Southeast Mauna Kea and $L\bar{a}na's$ $P\bar{a}l\bar{a}wai$ $Basin$. During the third phase, further exploration involved drilling a groundwater well in $L\bar{a}na's$ $P\bar{a}l\bar{a}wai$ $Basin$ and performing more geophysical surveys. We deepened an existing water well proximal to our target area on $L\bar{a}na'i$ due to funding constraints that precluded us from spudding a new well that would exceed 1km depth. Drilling was preceded by a number of substantial elements including: writing an Environmental Assessment and the subsequent legal process, performance of deviation logging, lowering a camera down the well, coordinating site preparation with $P\bar{u}lama$ $L\bar{a}na'i$, shipping the UH-owned rig interisland, procuring supplies, and leading 3 community meetings on $L\bar{a}na'i$. Drilling occurred 24/7 the entire month of June 2019 over which time $L\bar{a}na'i$ $Well$ 10 was deepened from 427 m to 1057 m, with continuous core collected. We measured a roughly linear temperature gradient averaging 42°C/km and a maximum bottom hole temperature of 66°C. This gradient is more than twice the background for Hawai'i and within a range of gradients measured in this depth range for some exploration wells within KERZ. We consider these results encouraging for $L\bar{a}na'i's$ resource potential and recommend following with a slim hole within $L\bar{a}na'i's$ caldera (our target zone) to ~ 2 km. Further, the positive implications such results have for the island of O‘ahu are substantial - the shield stage of O'ahu's volcanoes ended 1-2 My earlier. However, O'ahu uses more electricity than the rest of the islands combined, and the utility recently called for 500-700MW of firm, dispatchable renewable electricity on O'ahu by 2033. In Phase 3, we also collected limited new encouraging groundwater data, and updated our thoughts on the probabilities of fluid and permeability at resource depths (Pr F = 1; Pr P = mostly unconstrained). Ultimately, we advocate for using our final probability of heat, and confidence in this probability, to drive the next phase of exploration. We contend further development of geothermal in Hawai‘i will enable the state to achieve its 100% renewable policy objective and Hawai'i to transition off of fossil fuels through geothermal discovery and development. The project not only produced a large amount of data and expanded the existing knowledge of Hawai'i's geothermal resources, but also produced publications, theses, presentations, core photos, datasets, media reports, television interviews, community events, and a blog. Students and new professionals benefitted from the project's hands-on research experiences and educational opportunities and earned awards and recognition.

15 GEOTHERMAL ENERGY↗

Improving the Thermomechanical Stability of High Efficiency Perovskite Solar Cells via Polymeric Nanofiber Reinforcement

We show that the mechanical stability of perovskite thin films can be increased by an order of magnitude by nanocompositing with polymeric nanofibers using a scalable method. We discuss the increase in fracture resistance energy, Gc, in the nanocomposite samples with respect to nanofiber orientation. We demonstrate this platform with commodity polymeric nanofibers including nylon-6,6 and polyvinyl alcohol. The fiber network reduces the mechanical fragility of the PSCs by increasing their fracture energy several-fold, while maintaining comparable morphology, chemical composition, and device efficiencies to pristine perovskite. Improved power conversion efficiency stability of the nanocomposites under accelerated aging conditions is demonstrated. This platform is a promising advance toward the commercial viability of PSCs.

Samoylov, Anton↗

A Novel Process for Carbon Dioxide Conversion to Fuel

In this project, TDA developed a new mixed metal oxide-based sorbent that converts CO2 (captured from coal fired power plants) to CO, which can then be combined with renewable H2 generated by water electrolysis or H2 from steam methane reforming to produce different liquid fuels. TDA’s absorbent-based CO2 conversion process uses a redox process, which splits the catalytic reforming of methane with CO2 reaction into two stages: CO2 reduction to CO and CH4 reforming into H2 and CO which eliminates the equilibrium limitations. The CO produced in the two-stage reactor system can then be further reacted with renewable H2 to produce methanol, naphtha, diesel, or gasoline. We worked with the Advanced Power & Energy Program (APEP) of University of California, Irvine (UCI) to design and develop the liquid fuel synthesis process that is built around this new material. We demonstrated the techno-economic viability of the new sorbent based redox process to convert CO2 into synthesis gas by demonstrating continuous carbon dioxide reduction in a prototype test system for over 585 hours while converting up to 10 kg CO2/day. With the successful completion of the R&D effort, the technology is now ready for a larger pilot-scale demonstration and the technology readiness has been raised from TRL 3 to TRL 5. In collaboration with UCI, we completed a high-fidelity process design and economic analysis. The required sale price (RSP) for gasoline (Case 1 NG-MTG) is $4.91/gal and naphtha and diesel (Case 2 NG-FT) are $4.23/gal and $6.07/gal, respectively, on a 2011 dollar basis. To put these costs in perspective, the California prices in current dollars (with its strict specifications) for regular grade gasoline from last year to current year have varied from a low of $3.10/gal in January 2021 to a high of $5.76/gal in March 2022, while prices for diesel from last year to current year have varied from a low of $3.40/gal in January 2021 to a high of $6.41/gal in May 2022 according to the U.S. Energy Information Agency data. It should be noted that the gasoline and diesel produced by these designs of Case 1 and Case 2 would be of very high quality and both nitrogen and sulfur free. These RSPs are based on a cost of imported electricity of $64/MWh based on the low-end current wind generated electricity cost (Genevieve 2011). This cost is by far the largest component of the variable costs used in computing the RSPs. A sensitivity analysis of these RSPs to the cost of imported electricity shows that the cost of the imported electricity has a significant effect on the RSPs. The life cycle analysis (LCA) shows that the total cradle-to-gate CO2 emissions for both liquid fuels (diesel and gasoline) were negative, indicating that overall more CO2 is consumed than released during production of the fuel from CO2 feed stack for both cases (-296 kgCO2 per MT gasoline for Case 1 and -705 kgCO2 per MT diesel for Case 2). On a cradle-to-grave comparison, the use of diesel produced using TDA’s process (2,457 kgCO2 per MT diesel) would release 37.6% less CO2 compared to petroleum based diesel (3,937 kgCO2 per MT diesel) while the use of gasoline produced using TDA’s process (2,792 kgCO2 per MT gasoline) would release 29.3% less CO2 compared to petroleum based gasoline (3,946 kgCO2 per MT gasoline). With the successful completion of the R&D effort, the technology is now ready for a bench-scale demonstration and the technology readiness has been raised from TRL 3 (Analytical and experimental critical function and/or characteristic proof of concept) to TRL 5 (Laboratory scale similar system validation in relevant environment).

20 FOSSIL-FUELED POWER PLANTS↗

Ab Initio Quantum Information Processor Design with Single-Molecule Magnets: A Multiscale Modeling Approach (Final Report)

This final report summarizes the team's efforts to develop a multiscale modeling approach that ranges from different levels of ab-initio quantum chemistry simulations to effective models and time-dependent external control, and to use this approach to systematically design quantum information processors with TbPc 2 single-molecule magnets. The impact of the work is two-fold: (i) New quantum chemistry simulation techniques capable of treating complex, multiscale problems such as the TbPc 2 molecule were developed, and (ii) the prospects for building quantum processors based on single-molecule magnets coupled by superconducting transmission line resonators were analyzed. The outcomes of this project revealed that current technology is at the cusp of being able to realize the main components of such a processor, and they highlighted the need to achieve stronger molecule-resonator interactions to enhance the viability of this approach. The multiscale modeling techniques developed during this project are general and transferable to other molecules and will thus have a broad impact on the field of quantum chemistry. Methods for controlling and simulating many coupled qubits developed here will also impact other quantum information technologies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Climate Vulnerability Assessment and Resilience Planning for Idaho National Laboratory

Idaho National Laboratory’s (INL’s) mission is to discover, demonstrate, and secure innovative nuclear energy solutions, other clean energy options, and critical infrastructure. This INL’s Climate Vulnerability Assessment and Resilience Plan (VARP) was developed to enable and sustain that mission while ensuring the viability of operations considering expected climate change impacts. The VARP was developed according to the narrative requirements from the “Vulnerability Assessment and Resilience Planning Guidance, Version 1.2” document issued in February 2022. A prescribed process was used to identify mission-critical systems and components, determine historical and expected climate impacts, and develop resilient solutions. Experts from across INL, including operations staff, researchers, and climate scientists supplied input to the process. Analyses of climate modeling sources revealed that under scenarios of higher and lower greenhouse gas emissions (Representative Concentration Pathway (RCP) 4.5 and RCP 8.5), INL anticipates an increase in climate hazards, including drought, heat waves, wildfire, and precipitation. Increased frequency and duration of climatic hazards forecasts high impacts on certain mission-critical asset and infrastructure types. Utilizing the VARP Risk Assessment Tool, projected high climate hazard impacts across multiple asset and infrastructure types at the INL include energy generation and distribution systems, Site buildings, specialized or mission-critical equipment, and transportation and fleet infrastructure. Some of these mission-critical asset and infrastructure types maintain high adaptive capacity to climatic changes; however, others may need additional adaptive capacity to withstand increased frequency and duration of climate hazards. INL identified close to 300 resilient solutions that were consolidated into 11 solution categories to be tracked in the Department of Energy Sustainability Dashboard. The identified solutions are a starting point for future project development and analysis. These data are intended to inform decision makers on climate issues and potential solutions across INL and associated communities. The VARP is not intended to be a budget tool or project decision document on its own, but rather one of many tools used by decision makers to establish resilient priorities. This initial document provides the framework and foundation to resilient solutions. In the coming years, each solution needs to be fully developed, costed, and prioritized based on mission-critical risk and funding priorities.

54 ENVIRONMENTAL SCIENCES↗

The Feasibility and the Benefits of the Advanced Nuclear Fuel Pellet Designs with Radially Varying Fuel Zoning and Burnable Poison Concentration (Final Summary Report)

As part of the work supported by the US Department of Energy (DOE) Office of Nuclear Energy (NE) Gateway for Accelerated Innovation in Nuclear (GAIN) FY 2021 Voucher, Exelon Generation, now Constellation, and Oak Ridge National Laboratory (ORNL) entered into a cooperative research and development agreement (CRADA) to evaluate and assess the feasibility and impact of various conceptual advanced nuclear fuel pellet designs (ANFPDs). The objective of this project was to perform modeling and simulation and analyses using the advanced modeling and simulation capabilities of VERA/BISON, developed by DOE, to determine the viability and benefits of numerous advanced nuclear fuel pellet design concepts in terms of fuel cycle costs, operational safety, and margin improvement. Whereas the detailed coupled neutronic and thermal hydraulic analyses performed using VERA provided in-depth knowledge in terms of fuel cycle performance, the detailed VERA results were used in subsequent fuel performance analyses using BISON. These subsequent analyses focused on several key fuel performance criteria, such as peak fuel centerline temperature (FCT), fission gas release (FGR), gap closure, plenum pressure, and cladding hoop stress. These key fuel performance criteria were analyzed for some of the conceptual fuel designs and were compared with the results obtained for UO 2 fuel. The results provided detailed information to enable better understanding of the performance of the fuel types analyzed. Understanding the advantage of loading these conceptual fuel designs into the core is important not only to Constellation but also to the entire light-water reactor (LWR) fleet in the United States.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

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.

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A 100+ RON Gasoline Blendstock for High Efficiency, Low Emission Vehicles Engines - CRADA 493 (Final Report)

This study aimed at demonstrating production of a 100+RON gasoline fraction from a linear olefins feedstock to help improve further the viability and flexibility of the Pacific Northwest National Laboratory/ LanzaTech alcohol-to-jet (ATJ) patented process that converts ethanol from LanzaTech’s syngas fermentation process to low aromatic jet-range iso-paraffins. To achieve a high RON gasoline and ultimately a 100+RON, the technical approach consisted of converting the linear olefins into an iso-olefins rich mixture and then oligomerizing the iso-olefins rich mixture into high RON compounds in a single bed loaded with an acid catalyst that allows conversion at low reaction temperature. Three families of acid catalysts labeled as type A, B and C were investigated for the single-bed conversion of linear olefins into high RON gasoline range compounds. The effects of the nature of the catalyst, acid sites concentration and operating conditions were investigated. Fuel properties measurements and engine testing were conducted for the most promising catalyst. For type A catalysts, we demonstrated that the conversion increases with the increase of the Brönsted acid site concentration and that lower reaction temperature favors the formation of desired highly branched compounds. The highest dRON obtained with type A catalyst was equal to 94 (from NMR and IQT). Type B catalysts appear very effective for producing dimethyl-olefins compounds when operating at low reaction temperature (i.e., < 100°C). The highest dRON obtained with type B catalyst was equal to 92. The results suggest that type B catalysts are less favorable to internal conversion of linear olefins into iso-olefins compared to type A catalysts which leads to the formation of a gasoline blendstock with a lower dRON. A Type C catalyst that is less commonly used for production of gasoline range compounds from linear olefins was investigated due to its ability to favor conversion of linear olefins into iso-olefins. Compared to type A and type B catalyst, type C favors the formation of highly branched compounds (i.e., with 3+ methyl groups) in the gasoline range. Indeed, a gasoline blendstock containing about 33 wt.% of highly branched compounds was produced with type C catalyst while maintaining a high linear olefins conversion (i.e., 70%). A large quantity of this gasoline blendstock was produced and fuel properties measurements including engine testing for Research Octane Number (RON), Motor Octane Number (MON) and octane sensitivity (S) were conducted. A high RON = 97, MON = 82.7, S =14.3, AKI = 90 and HoV = 334.1kJ/kg were measured. While a RON of 100 was not achieved, the fuel properties of the gasoline blendstock are very acceptable as compared to current premium gasoline. Overall, these results highlight the potential for producing a high RON/ premium gasoline blendstock starting from a linear olefins feedstock.

02 PETROLEUM↗

Improved Value of the Gasoline and Fuel Oil Co-Product Fractions Generated by the PNNL/LanzaTech Alcohol-to-Jet Process (Final Report)

The BETO-funded PNNL collaboration with LanzaTech, Inc. utilizes patented technology to address the need for low aromatic jet fuel blendstocks. The PNNL/LanzaTech alcohol-to-jet (ATJ) process converts ethanol from LanzaTech’s syngas fermentation process to jet-range isoparaffins. The aim of this Cooperative Research Development Agreement (CRADA) project was to improve the commercial viability of the LanzaTech/ PNNL ATJ process by developing two new co-product options. Two Focus Areas (FA) were explored: FA1) Increasing the RON of the lighter-than-jet gasoline fraction above 98; and FA2) Creating a synthetic lubricant base oil from the heavier-than-jet fraction. For FA 1, multiple processing approaches were evaluated, and RONs ranging from 96-100 were obtained, each comprising different processing costs. The most cost effective approach identified was a single-step process and yielded a liquid product of 97. Thus, additional development is required to obtain a RON > 98. We will continue work on this focus area with separate Direct Funding Opportunity (DFO) funding within the DOE-BETO Co-Optima Consortium (expected to begin Q2-FY21). Experimental work will focus on i) increasing single pass conversion to > 50%, and ii) obtaining a > 98 RON product. Technoeconomic analysis performed in this project suggests cost competitiveness provided these technical targets can be met. For FA2, multiple approaches were evaluated for increasing the viscosity index (VI) of the heavier-than-jet fraction to at least 120 in order to meet ASTM specifications for a Group III Base Oil (ASTM D6074). All other ASTM specifications are already met. A viscosity index of 115 was obtained, and with minimal undesirable cracking products. We believe a VI of 115 is about the highest possible from a catalytic approach, per review of the patent literature. In order to further increase the VI to > 120 we believe additives and/or liquid-liquid extraction is required. TEA performed earlier in the project suggests cost competitiveness with market prices assuming cracking byproducts are kept < 10 wt.%. If TEA updated with this additional processing still projects economic feasibility next steps could be taken in a subsequent effort.

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