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At least 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Incorporating Wind Turbine Choice in High-Resolution Geospatial Supply Curve and Capacity Expansion Models

To achieve national decarbonization goals, U.S. annual deployment of wind energy will need to increase by at least fivefold compared to the recent past. Modeling and analysis frameworks can help inform where and how wind energy deployment might occur and thereby help enable the achievement of decarbonization goals. However, most prior wind energy modeling and analysis studies rely on generalized representations of wind energy technologies. Since wind energy technology advancements are expected to increase the competitiveness of wind energy, it is important to incorporate more detailed representations of turbine technology into wind energy modeling. Here we present a new method that incorporates wind turbine choice into the technology representation of land-based wind energy in long-term planning models. Our method integrates three previously published modeling and analysis capabilities: 1) bottom-up cost modeling to estimate future technology costs, 2) geospatial modeling to represent siting decisions, and 3) power sector modeling to evaluate potential deployment. We refer to this approach as a "customized turbine choice" methodology because it creates a composite turbine scenario by choosing from multiple wind turbine technologies—using site-specific optimized turbine layout and selecting the least-cost technology at each location. We demonstrate the capabilities of this new modeling pipeline by examining how the selection of four different wind turbine configurations might evolve from 2021 through 2040. Our results show that using our customized turbine choice methodology could lead to higher estimates for wind future deployment, which indicates that more simplified modeling might underestimate the role that wind energy could play in meeting decarbonization goals. Future research is needed to further explore the implications of turbine choice and to better inform technology researchers, original equipment manufacturers, and other wind industry stakeholders about the market potential of different wind turbine technologies.

17 WIND ENERGY↗
DOE OSTI2022

High Energy Physics Research at the Energy Frontier with the CMS Experiment

The physics analysis goals are to continue improving upon the search for the Higgs to dimuon decay using the CMS experiment at the LHC to further improve the Higgs coupling measurement with the additional data from LHC Run 3, and to explore searches for long-lived particles that reach the muon system of CMS using new Level-1 muon triggers the group is developing. An additional physics goal is to further develop the science case for a novel muonion collider. The experimental goals are to continue operational support of the CMS Endcap Muon Track Finder, a key component of the CMS Level-1 trigger system. The group also proposes to continue its leadership role in muon triggering for the HL-LHC upgrade through algorithm and electronics R&D. Finally, Acosta will continue as CMS Trigger Co-Coordinator responsible for the High Level Trigger system of CMS, lead the EMTF project, and serve as USCMS Trigger Operations Level-2 manager.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Accuracy Enhancement of Nuclear Power Plant Simulators Utilizing High Accuracy Simulation Predictions

More recently, reactor core simulators for core designs associated with commercial nuclear power plants that utilize what is believed to be higher fidelity models have been developed. Features such as neutronics models that utilize transport equation solvers with fine spatial meshes and many energy-groups, thermal-hydraulic models that utilize sub-channel solvers with fine spatial mesh and capable of treating a wide range of fluid conditions, and fuel-coolant chemistry interaction models capable of treating CRUD deposition are to be found in these higher fidelity core simulators. These reactor core simulators require access to higher performance computers, characterized by many processors, cores and large memory. So associated with utilization of these simulators is access to high performance computers and ability to accommodate in one’s workflow longer execution times. By contrast, currently used core simulators by the nuclear industry can execute on engineering workstations and have execution times of seconds to minutes. The desirability for having short execution times is not only desired for support of time critical tasks but supports the mental process of decision making by engineers. The goal of the work reported upon here has the objective of retaining the fidelity of higher fidelity models while retaining the ability to utilize engineering workstations. Beyond the core simulator goal, additional goals of this work include incorporating the just described core simulator capability into a Nuclear Steam Supply System (NSSS) simulator, and to incorporate the resulting capability into an environment supportive of design and operational decision making associated with nuclear power stations. The model selected for the core neutronics model is the NESTLE code, for the core thermal-hydraulic model is the CTF code utilizing coarse mesh, and for the NSSS model is the RELAP5-3D code. WSC’s proprietary 3KEYMASTERTM platform is being used to provide software coupling, user interface, visualization, and reporting. The NESTLE core neutronics simulator was first integrated with the CTF core thermal-hydraulic simulator using CTF developed communication commands which are also used for CTF to communicate with RELAP5-3D under WSC’s proprietary 3KEYMASTERTM platform. To assure NESTLE prediction consistency with higher fidelity core neutronic simulators, buffer codes have been created to automatically generate from output files written by the VERA core simulator the NESTLE nodal neutronic parameter’ library, geometry, and pin-power reconstruction input files, thereby avoiding a number of challenges associated with utilizing lattice physics codes and providing consistency with VERA predictions. To treat absorber rod effects a multi-set library is utilized, where a set refers to a specific absorber rod fully inserted pattern. A coarse spatial mesh CTF model was developed with features added that support using CTF as envisioned in the engineering quality simulator. A hybrid meshing approach was implemented to allow for automated construction of models with mixed levels of refinement. Specifically, a core model could resolve some assemblies at a nodal level (4 subchannels per assembly) and others at a pin-resolution (one subchannel per coolant subchannel in the assembly). The intention is that this will allow for better resolution of limiting conditions such as DNBR and PCT, which are based on local rod and subchannel conditions. Further development was done of features that enhance the capabilities for the envisioned engineering quality simulator that has been developed, but now for RELAP-3D. The RELAP5-3D code development includes ability to model more than 999 components and the addition of the cross-channels turbulence mixing model and the void drift model that are implemented in CTF, aiming to achieve closer prediction agreement of the two codes for transient simulations, specifically, more accurate matches of the overall mass, momentum, and energy exchanges of both the liquid and gas phases between the neighboring core assemblies. Graphics were also developed for the Instructor Station for this project under WSC’s proprietary 3KEYMASTERTM platform to facilitate design and operational decision making.

42 ENGINEERING↗
DOE OSTI2024

Exploring the Nature of f-Element Soft Donor Interactions Using Electronically Tunable Azolate Ionic Liquids

This project was undertaken to advance the understanding of how f-elements interact with moderately soft donors, a heavily investigated yet open question which is of prime importance in spent nuclear fuel processing and fundamental inorganic chemistry. During the course of the project, based on exciting results, a stretch goal was developed to study the hydrolysis products of transuranic actinide metals, a somewhat understudied field even with its significance in nuclear fuel cycle and impacts in environmental chemistry. The stretch goal was to take our serendipitous discovery of an easy route to isolation of crystalline multinuclear ƒ-element hydrolysis products, and apply it to gaining a mechanistic understanding of Pu(III/IV) colloid formation. The simplicity of our techniques should lend themselves to the remote handling required for study of many transuranic elements. We developed several methodologies using azolium azolate chemistry to overcome ƒ-element hydrolysis problems that prohibit the isolation of ƒ-element soft donor complexes and to build a crystallographic library of ƒ-element N-donor complexes as a means to understand the fundamental differences between actinide and lanthanide interactions with moderately soft donor ligands. Our next major endeavor will be to transfer this chemistry from 4ƒ elements to transuranic elements, particularly in the study of hydrolysis of Pu(III/IV). While our work is fundamental in nature, applications of the knowledge we are generating should be felt in such diverse fields as catalysis, separations in general, nuclear waste remediation specifically, and many other applications in f-element magnetic and luminescent properties. The potential ramifications of the consistent and robust formation of hydrolysis controlled hexanuclear lanthanide structures are enormous, with future uses being catalyst formation, higher-nuclearity structure synthesis using our hexanuclear motif as a fundamental building block, Pu waste remediation, separations, and many other potential applications resulting from characteristic magnetic and luminescent properties of lanthanide polynuclear structures. Three synthetic methodologies (direct mixing with variable stoichiometries, use of volatile solvent, metathesis) were developed starting with 7 acidic and 6 basic azoles to obtain ionic liquids suitable for f-element coordination. Proton transfer by acidic/basic azole combination led to suitable low melting salts and two cocrystals. Acid/base reaction of azoles with soft-donor permanent cations of ([X 4444 ][OH] (where [X 4444 ] + = tetrabutylammonium [N 4444 ] + or tetrabutylphosphonium [P 4444 ] + ) with weakly acidic azoles including imidazole, 1,2,3-triazole, 1,2,4-triazole, 5-aminotetrazole, 4,5-dicyanoimidazole, and 2-amino-4,5-dicyanoimidazole) revealed several suitable low-melting salts. Metathesis reactions of Na(azolate) were conducted by first using weakly acidic azoles including 4,5-dicyanoimidazole, 2-amino-4,5-dicyanoimidazole, 5-aminotetrazole, and 1,2,4-triazole to form sodium or lithium salts using group(I) hydroxides in methanolic solutions. The best results were obtained by reacting the basic and acidic azoles directly in 1:1 or 3:1 ratios at elevated temperatures. Twenty-two azole mixtures were identified which are either low melting solids or room temperature liquids. Each of the low melting solids was confirmed to be a new solid phase, each of which is being further characterized. The liquids and solids are anticipated to be ILs, eutectics, or partially ionized systems, all of which will be suitable for the dissolution of f-element salts. Five new synthetic methodologies were developed to finding suitable crystallization conditions for f-element complexation with the goal of finding simple one pot reaction syntheses and crystallization strategies that could be used under the demanding conditions of transuranic chemistries. These synthetic methods yield many new crystalline phases which were studied by single crystal X-ray diffraction.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

OSCAR-Mike: Why not ATAK?

The Office of Nuclear Smuggling Detection and Deterrence (NSDD) is evaluating methods to increase the probability that international partners will detect radioactive materials. One proposed method to accomplish this goal is to improve communications within teams operating in challenging environments. The goal of these improvements would be to enable remote monitoring of detection equipment, share data among end users in the field and subject matter experts, and integrate data from radiation detectors with other types of sensors and camera systems. Accomplishing this goal has the potential to improve the capabilities of currently deployed NSDD equipment. During FY 2021, Oak Ridge National Laboratory demonstrated some core and expanded capabilities of the Android Team Awareness Kit (ATAK), a situational awareness application developed by the US Department of Defense, to enable precision targeting, navigation, and data sharing. During FY 2022, Oak Ridge National Laboratory developed software requirements for an NSDD team awareness kit–based system. The requirements were developed by liaising with NSDD management and subject matter experts to determine NSDD’s needs and by reviewing available software and hardware solutions with US Department of Defense team awareness kit program managers and developers and radiation detection equipment vendors.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Sustainable Aviation Fuel State-of-Industry Report: Hydroprocessed Esters and Fatty Acids Pathway

Climate change is a pressing issue that requires immediate and decisive action to ensure a sustainable future. To reduce CO 2 emissions and speed up the transition to net-zero aviation, the Biden administration has launched the "Sustainable Aviation Fuels (SAF) Grand Challenge" to scale up production of SAF. The challenge aims to achieve 20% reduction in aviation emissions by producing 3 billion gallons per year (BGPY) of SAF by 2030 and to meet 100% of aviation fuel demand by producing 35 BGPY of SAF by 2050. In this report, we provide an overview of the current state of the hydroprocessed esters and fatty acids (HEFA) SAF industry, guided by the perspectives of the interviewed experts. Currently, the HEFA pathway is the only commercially deployed method to produce significant amounts of SAF. As a result, SAF produced via the HEFA pathway is expected to make the largest contribution to achieving the 2030 production target and play a key role in boosting and establishing the SAF market. Announced SAF's total capacity, including alcohol-to-jet, FT, and power-to-liquid facilities, is expected to reach 2 BGPY by 2030 (1), with the expected from HEFA. Total HEFA capacity, including construction and planned projects, is expected to reach about 9 BGPY by 2030; if completely executed, this would contribute to renewable diesel (RD) and SAF. The production ratio of SAF and RD will depend on market conditions, incentives, and the capabilities of facilities. While some stakeholders believe that the 2030 goal may be achieved solely via HEFA, others believe that overly relying on HEFA may be detrimental to the development of other necessary pathways to meet 2050 goals. Our conclusion is that the HEFA pathway alone will not be sufficient to reach the 2030 target. It is crucial to implement additional pathways to reach the goal. This report conducts a comprehensive analysis and evaluation of the HEFA SAF value chain. Our aim is to provide current status of the industry and to identify potential challenges that could hinder the commercial production and use of SAF produced through the HEFA pathway. We have had extensive discussions, consultations, and collaborative sessions with stakeholders in the HEFA SAF value chain, including HEFA feedstocks, potential volume of HEFA SAF, economic and sustainability metrics when compared to petroleum, and assessment of the HEFA SAF industry's ability to grow and contribute to achieving the "SAF Grand Challenge." Since the HEFA pathway produces both SAF and RD, this report compares both pathways: HEFA to SAF and HEFA to RD.

09 BIOMASS FUELS↗
DOE OSTI2024

Improving Self-Driving Labs: Quantifying System-Level Experiment Repeatability and Broadening Instrument-Level Compatibility

Modular Autonomous Research System (MARS) is a self-driving laboratory (SDL) which performs wet-lab science with peptide-lanthanide combinations in an automated and, ultimately, an autonomous manner to aid in soil analysis for domestic lithium mining. Autonomous experimentation involves automated experimentation, experiment planning, and active learning. MARS consists of a 6-axis robotic arm (UR5e) on a linear rail, pipette robots (Opentrons 2), and microplate readers. These components transport, operate on, and collect data with chemical solutions in standard labware. For effective autonomy, MARS must perform system-level labware operations repeatably, plan experiments autonomously, and be portable between research-domains. Repeatability is evaluated by labware placement precision, such that future operations can properly locate labware, as well as the elapsed time, so that low variance mean estimates of experiment duration can inform high-level researcher decision making. Autonomous experiment planning is the next step to decouple experimentation from human management; however, there is a conflict between the ideal system-level experiment goals and the constraints imposed by instruments’ limitations. Sub-domain portability is a long-term goal to extend MARS’ research beyond the chemistry of peptide-lanthanide binding to other sub-domains without having to invest significant overhead to system retrofitting. To address these goals, we manually trained the robotic arm labware placement and modelled statistical failurerate and uncertainty Additionally, we benchmarked the duration and variance of each experiment sub-operation as a heuristic for research decision making. Next, we use a parameterized geometric program (PGP) approach to design experiments that optimize system-level objectives and satisfy instrument-level constraints. Lastly, we proposed a Python framework to maximize MARS’ extensibility to other scientific sub-domains through a JSON-based experiment specification.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Dartmouth Theory Group: The Physics of the Universe

1. What were the major goals of the project? Under this project, the senior investigator Robert Caldwell (PI) conducted research that addresses outstanding problems in cosmology. This project built on the PI’s ongoing research program in dark energy and cosmic acceleration, cosmology as a probe of fundamental physics, and new gravitational phenomena. Other faculty conducting research under this project were: Stephon Alexander, Marcelo Gleiser, and Devin Walker. Specific results have included predictions of new physics that informs and helps guide Cosmic Frontier observational probes of dark energy, dark matter, and CMB probes pursuing B-mode polarization. 2. What was accomplished under these goals? The project accomplished the primary goals: to extend the state of knowledge of dark energy, inflation, and the phases of the early Universe; to identify new observations and measurements that may help identify the underlying physics of the cosmos; to develop new analysis techniques that enhance the value of exist

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Energy Transitions Initiative Partnership Project: Bainbridge Island, Washington: Cohort 2 Technical Assistance: Improving Resilience

The City of Bainbridge Island (COBI) applied for and received technical assistance from the Energy Transitions Initiative Partnership Program (ETIPP) in part to achieve their goal of 100% renewable electricity generation by 2040, five years ahead of the Washington State goal. Their second goal of increasing energy resilience is discussed in this report. Pacific Northwest National Laboratory (PNNL) completed the technical analysis aspects of the project, supported by the community partner Spark Northwest and the program administrator, the National Renewable Energy Laboratory (NREL). PNNL worked with the Community Lead and stakeholders to ensure selection of hazards and energy infrastructure of highest priority and integration of existing expertise into the analysis. We have also worked to align analysis with current activities conducted by Puget Sound Energy (PSE), and other efforts within the Bainbridge Island community around resilience. This report, conducted under the ETIPP project in partnership with COBI, aims to build on this existing knowledge base with a specific energy focus, to identify hazards and threats to critical energy infrastructure, summarize the risk, and identify and analyze remaining resilience gaps.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

An Energy Codes Gap Analysis Field Study in the Southwest (Final Technical Report)

The primary goal of the “An Energy Codes Gap Analysis Field Study in the Southwest” project was to improve housing through strengthened building energy code implementation in two states, Colorado and Nevada, leading to greater energy and utility bill savings for households. Colorado is a home rule state. Nevada adopts a statewide code, but cities and counties must also adopt the code, making the state function like a home rule state. To broaden the impact of the project, an additional goal was to share and amplify project experiences, findings, and lessons that can be applied in other states. To achieve these goals, the project’s key objectives were to examine how residential energy codes are implemented in partner states; to use these findings to strengthen codes implementation through enhanced education, training, and outreach; and to enhance energy code technical assistance capabilities in the two partner states. In both partner states, the project led to the creation of a quantitative baseline understanding of compliance with high-impact energy code requirements, such as foundation, wall, and ceiling R-value; window U-factor and SHGC; envelope air tightness; duct tightness; and high-efficiency lighting. It then applied this baseline information to directly inform training in geographic areas with high levels of building and construction activity. The project has placed Colorado and Nevada among 23 states across the country that have conducted a single-family residential field study based on the established U.S. Department of Energy (DOE) methodology since 2014. It has also helped each State Energy Office test models for partnership- and relationship-building among government agencies and key stakeholder groups, including the State Energy Office and relevant code administration and professional licensing agencies, building officials, designers, builders, trades and utilities. At the national level, the project helped educate and inform State and Territory Energy Offices on a replicable methodology to assess energy code construction practices, effective stakeholder engagement strategies, and tailored energy code education and training. These findings are particularly pertinent for home-rule states, such as Colorado and Nevada, which rely on local government awareness and action to advance and implement building energy codes. By raising awareness of code adoption and compliance, this project has helped to equip each partner state with data on code compliance, strategies, education, and partnership models to advance building energy codes. This in turn will have an important impact on new construction practices in Colorado and Nevada, leading to more energy efficient and affordable housing. Currently, more than 62 percent of Colorado’s population lives in one of the 55 jurisdictions that have adopted the 2021 IECC to date, while nearly 95 percent of the state's population lives in one of the 208 jurisdictions that have adopted a code at 2015 IECC levels or higher. In Nevada, the 2018 IECC was adopted by the Governor’s Office of Energy in July 2018. By July 2020, 47 percent of the adopted energy code in the state was 2018 IECC which covers 96.5 percent of Nevada’s population. The training materials funded by this project focus on the 2021 IECC and will continue to be relevant in the two states as additional jurisdictions update their building energy codes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Heliostats with Adjustable Shape for High Concentration throughout the Day

Our motivation is to develop more efficient heliostats that can provide commercially viable solar thermal power at temperatures > 800°C. Such high temperatures will enable high-temperature industrial processes, as well as electrical generation after sunset with high efficiency. The importance of this research is that such heliostats have the potential to substantially expand the global use of solar energy, by adding solar thermal power as a major component. Thermal solar currently accounts for only 1% of all solar power (with PV being the rest), with heliostat fields providing just 0.25%. Our goals have been 1) to demonstrate a technical improvement for heliostats that can enable fields of them to more efficiently power receivers and reactors, and 2) to show a path to low-cost mass production. Our solution uses new opto-mechanical technology to correct a fundamental deficiency of present heliostats that limits their concentration, namely that they have fixed shape. Most of today’s heliostat research does not address this, but is directed simply toward cost reduction in an effort to make heliostats commercially viable. We are motivated to explore also improving heliostat efficiency, which can be done by continually changing their shape to maximize the concentration of sunlight throughout the day. This is not a new concept, but it has never been implemented in a practical, cost-effective way that approaches the theoretical limit to concentration while also improving mechanical performance; this is our goal. Our major accomplishments have been: 1) We have realized the planned design, construction, and test of a prototype heliostat that achieves the required shape changes in an 8 m2 single-piece glass mirror. The mirror is attached to a steel support frame that is automatically mechanically twisted by the heliostat drives that orient the mirror to direct sunlight to the tower-mounted receiver. Closed-loop tracking is done using a new beamsplitter camera that exploits the target-oriented mount configuration. Field tests of the heliostat show that the light is reflected through the day to always form a disc image of the sun, as needed to obtain the highest concentration. 2) We have developed the design for a field of 431 heliostats to deliver annual average of 1 MW of thermal power at 3,000 sun concentration, matched to a high-temperature ≥ 1000°C chemical reactor. 3) We have also developed, beyond the original stated goals of the project, a new concept for closed-loop tracking and shape-sensing for all the heliostats in the above field, using just 6 cameras around the concentrated reactor focus. Our research adds to the understanding of solar thermal energy by its demonstration of the technical effectiveness of a higher performing heliostat, and by its concept for a new powerful method for real-time tracking and shape sensing in the field, as described above. We have studied the economic feasibility of fields of our twisting heliostats to provide high- temperature heat at a price competitive with that of burning gas, to satisfy the DOE’s studied zero-emissions scenario, where the gas price has to include the cost of carbon capture. The project has the potential to greatly benefit the public if it helps limit global warming by 1) reducing carbon emission from industrial heating, which is currently a major contributor to the 40-billion-ton annual increase in atmospheric CO 2 . 2) Ultimately, the technology could prove to be the least expensive method to power direct air capture of CO 2 on the very large scale needed to remove the 1 trillion-ton excess of CO 2 already in the atmosphere.

14 SOLAR ENERGY↗
DOE OSTI2024

Future Electric Power Industry and Grids—Now What Again is Our Destination?

Having a vision that others agree to support and work toward is highly desirable but hard to achieve. We seem to lack a common and shared understanding of the vision—or worse, multiple visions (vivid mental images or documented statements) with varying areas of focus and details: • some appear to be similar but have differing underlying goals and characteristics, or • some reflect differing viewpoints as to effects on various stakeholders. These desirable and undesirable situations apply to realizing visions for enterprise and industry, including the electricity sector. Multiple industry stakeholder groups have developed goals, industry vision statements, and characterizations of the future. The viewpoints are promoted, discussed, refined by their stakeholder group, and often published to promote broad understanding and to inform or influence others. The GridWise Architecture Council asked itself how well-aligned these characterizations of the future are. If these publications collectively set the overall direction for the industry, it is useful to identify their answers to questions such as, where is the electric industry headed, guided by what objectives, and with what role(s) for the customers, electric utilities, and other stakeholders? Are these goals, visions, and future states moving toward a common vision, do they provide value for the stakeholders, and are they likely to meet the objective stated? This paper addresses these questions via an assessment and characterization of a sampling of stakeholder groups’ publicly available vision and future state reports for the electricity industry. Identified electric power grid architectural topic areas needing further work are described, along with GridWise Architecture Council analysis and observation, potential collaborative work efforts, and suggested next steps.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Fostering a Guiding Multiscale Model for the Development of Advanced MgB 2 Hydrogen Storage Materials (Final Technical Report)

Project Goal and Objective. The demand for energy and for an upgraded energy infrastructure has steadily grown, as have the needs for energy independence and alternatives to our reliance on petroleum. Hydrogen is considered the most viable fuels for wide-scale implementation in the near future as it is less-polluting, non-toxic, and has more stored energy than petroleum. It is envisioned that hydrogen can eventually become the prime energy carrier, integrating the transportation, grid, and chemical sectors in a way that improves resiliency, diversifies feedstocks, and affords new economic opportunities. A key remaining challenge is the development materials with enhanced gravimetric and volumetric hydrogen storage capacities that offer a higher performance than compressed gas. These materials would eliminate the need for large-scale compression, thereby dramatically reducing the footprint and cost of gas storage. The high gravimetric and volumetric hydrogen capacities of complex hydrides has prompted an intensive investigation of the potential of this class of materials as hydrogen storage media over the past 25 years. Among the many complex hydrides that have been explored, magnesium borohydride, Mg(BH 4 ) 2 , has been found to possess the best combination of practical thermodynamic properties. These include a gravimetric H 2 density of 14.9 wt% H 2 and thermodynamics for the dehydrogenation of Mg(BH 4 ) 2 to MgB 2 (equation 1) (ΔH° = 39 kJ/mol H 2 , ΔS = 112 J/K mol H 2 ) which lie in the narrow window required Mg(BH 4 ) 2 $\Leftrightarrow$ MgB 2 + 4 H 2 (1) for reversibility under moderate pressure and temperature. However, overcoming the extremely slow kinetics of the reversible release of hydrogen by this material in the solid state is a daunting challenge. At temperatures greater than 400 °C, the borohydride releases up to 14 wt% hydrogen giving MgB 2 . We discovered that the direct re-hydrogenation of MgB 2 to Mg(BH 4 ) 2 can be accomplished under 950 bar H 2 at 400 °C. While this demonstrated that complete reversibility can be achieved, the conditions employed are far too extreme for commercial hydrogen storage applications. More recently, we found through US DOE funded research projects (EERE HyMARC and HySCOR), that hydrogen cycling, can be accomplish at much milder conditions upon modification of the borohydride or boride. Guided by these discoveries these discoveries, the objective of this research project was to obtain key information that will enable the development of a model of reversible hydrogenation of MgB 2 to Mg(BH 4 ) 2 . The ultimate goal of our efforts is to attain a model of this transformation that can be utilized to accelerate development further advanced materials. This project directly follows on discoveries that were made over the course of a US DOE, EERE HyMARC project that was focused on improvement of the hydrogen cycling kinetics of modified MgB 2 . We found that that mechanical milling with graphene results the desired, pronounced kinetic enhancement. The dramatic lowering of the conditions required for the hydrogenation of MgB 2 is a significant step towards overcoming its chemical inertness allowing its development as a practical onboard hydrogen storage material. However, the exact nature of the modification(s) of MgB 2 that is responsible for its activation towards hydrogenation is completely unknown. This situation is not unique, as efforts to develop hydrogen storage materials typically have a narrow focus rather than a comprehensive approach that takes atomic level bonding and structure; molecular dynamics; long range, nano- and mesoscale-structure and their interconnection all into account. The goal of this project was the development of a comprehensive, multi-scale computational model of reversible hydrogenation of MgB 2 to Mg(BH 4 ) 2 that can be utilized for development of higher performance versions of the modified material. Development of the model requires determination of: 1) the bulk, nano-scale, and meso-scale structural changes occurring at elevated pressure following mechano-chemical modification of MgB 2 ; 2) the reaction pathway of the reversible hydrogenation of MgB 2 to Mg(BH 4 ) 2 ; 3) the effect of elevated pressure and mechano-chemical modification on the chemical reaction pathways; 4) the interactions at solid-gas interfaces; and particle surfaces; and 5) the kinetics and thermodynamic parameters associated with each step of the hydrogenation reaction pathway. This investigation required advanced techniques as preliminary, standard XRD, 11 B NMR, and FTIR analysis showed no signs of material modification. In order to gain this level of understanding of modified MgB 2 , required the teaming of a diverse group of experts and state-of-the art experimental capabilities at the University of Hawaii at Manoa (UHM) and collaborating National Laboratories: Craig Jensen , Department of Chemistry (PI and Project Director), solid state, solution, and high pressure NMR spectroscopy; solid-state synthesis; and high pressure hydrogenation (collaboration with SNL); Godwin Severa , Hawaii Natural Energy Institute (co-PI) calorimetry; infrared and Raman spectroscopy (collaboration with NREL); Dera , high pressure X-ray diffraction including in situ experiments (collaboration with ANL); Hope Ishii , Hawaii Institute of Geophysics electron microscopy investigations (collaboration with LBNL); and Joe Brown , Mechanical Engineering , material electronic structure and electric field effects.

08 HYDROGEN↗
DOE OSTI2024

An Action Plan for Rail Energy and Emissions Innovation

The Action Plan for Rail Energy and Emissions Innovation proposes actions to reduce and nearly eliminate emissions in the U.S. rail sector, in line with the U.S. economy-wide goal of net-zero greenhouse gas (GHG) emissions by 2050. It also proposes actions to leverage the rail system to reduce emissions from other modes. The national goal of achieving a zero-emission freight system by 2050 draws our attention to the fact that freight transport cannot be addressed simply mode by mode, but it should instead be treated as an interdependent system. This is especially true when pursuing decarbonization. This action plan presents how both rail transport and decarbonization intersect with our national transportation decarbonization blueprint, the decarbonization of the freight system, and national transmission goals. The intended audience of this report is the stakeholders who will advance rail decarbonization in a just and economical way by propelling the suite of actions listed here. This includes government at all levels, rail companies, locomotive manufacturers, labor unions, Amtrak, and more.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Fiscal Year 2024 Software Quality Assurance Activities for the ARC Software

The continued goal of the ARC SQA project in the Advanced Reactor Technologies program of DOE is to resolve the QA gaps for the ARC software that limit, or prevent, commercialization of the software for industry users. This project started in earnest in fiscal year 2023 which saw the entire code system moved from a SVN repository to a GitLab repository and an associated software quality assurance plan (SQAP) developed and ratified. Most of the QA gaps in the ARC software were identified in collaboration with industry partners and work begin in fiscal year 2023 and continued in 2024. The primary documentation that is missing includes user manuals, user guides, software verification reports, and code coverage assessments. The SUMMAR manual was completed this fiscal year and work was started on creating manuals for SE2ANL, SE2RCT, and DASSH. Software verification work was carried out for DIF3D and REBUS in a previous program and the current fiscal year saw the completion of software verification reports for GAMSOR, GAMSRC, VARPOW, EvaluateFlux, and SUMMAR. The goal for the next fiscal year is to complete the PERSENT software verification work and begin planning the software verification work for DASSH, SE2ANL, and SE2RCT. The code coverage reports for DIF3D and MC2-3 were completed in the previous fiscal year and the goal is to generate code coverage reports for REBUS, GAMSOR, PERSENT, and DASSH in the coming fiscal year. A considerable amount of effort was spent in the current fiscal year working on the continuous integration capability for automated regression testing in GitLab. The first version of the testing was created in the previous fiscal year and applied to DIF3D and its utility programs. That testing was extended this year to cover GAMSOR, REBUS, and PERSENT. To accomplish this, the first version of the new testing methodology had to be updated to make a single output checking methodology viable for all of the ARC software. This will result in a single document to detail the automated regression testing methodology and minor documents to detail the tolerance settings that have been applied to the output for each ARC code. The previous methodology put into place with SVN would have required a separate document for each ARC code to detail the output checking methodology and the tolerance settings for the output from each code. Because some of our industry partners are providing funds to add new capabilities to the ARC software to meet their needs, all of which must be reviewed and approved by the SQA program funded by this project, a summary of that development work is detailed in this report. Overall progress on resolving the QA gaps has been good this year with the most impactful improvement for our industry partners in capability being the creation of a threaded version of DIF3D-VARIANT that allows the DIF3D, REBUS, and GAMSOR run times to be reduced by a factor of 4-6. The most impactful QA gap that was resolved was the software verification of GAMSRC and VARPOW.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Development of Scalable Coastal and Offshore Macroalgal Farming

The US DOE/ARPA-E MARINER program funded a four-year project to determine an optimal way to grow kelps in large, nearshore and offshore arrays for the eventual purpose of biofuel production with the goal of keeping the cost below $\$$80 USD per dry metric ton of kelp. This project specifically looked at how Saccharina latissima can be grown in the Gulf of Alaska to reach that goal. There were three major aspects of the research: 1) optimizing nursery production and seeding lines for outplanting, 2) designing an economical, modular outplanting structure and 3) developing methods to efficiently harvest the product. Farm designs were based on catenary structures and the use of spreader bars with variable spacing of grow lines and line types. The spacing of the grow lines makes a difference in the yield. Grow line spacing of ≥1.5m showed about a 50% increase in kg/m. There was no statistical difference in the growth of Saccharina latissima whether in the middle or the outside of the array, but the line type and perhaps line thickness can make a difference in yield. Sagging caused by the weight of the mature fronds resulted in lower growth at depth. Various harvesting approaches for mature kelps were tested by collaborating farmers. One promising innovation is the use of large bags for holding the freshly harvested fronds. Although the weight of the fronds on the growlines causes the lines to sink, the bags packed with the harvested fronds float, allowing for easy loading to the transfer vessel. Another advance in harvesting is a specially built harvest vessel, the Harvest Buddy, allowing a more mechanized and faster way to harvest. A significant aspect of this project was the TTO/T2M. Several different outreach activities were performed by the Alaska Fisheries Development Foundation and GreenWave. A techno-economic assessment (TEA) using our data has pointed to solutions to reach the $\$$80 goal. A second phase of this project involved the co-culture of two different species of kelps. Interest in farming kelps has grown beyond using kelp for food, feed or biofuels. There is considerable interest in generating biomass from seaweed for use in bioplastics and other products that would substitute for petroleum-derived products. For these uses to be viable, large amounts of biomass are needed. Very large kelp farms can be expensive to build and maintain, leading to the need to optimize the biomass per unit area. Although close spacing of growlines can lead to poor growth, a viable approach may be to grow two species of kelps together: one that hangs down and one that is buoyant, growing up. This system would increase the spacing in three dimensions. In Alaska, Saccharina latissima is commonly grown hanging down from longlines. One of the buoyant Alaskan kelps is Nereocystis luetkeana. Because there are commercial uses for wild-harvested Nereocystis in Alaska, we undertook a preliminary trial in Kodiak, Alaska that grew both Saccharina and Nereocystis in the same longline array. Closely spaced lines were seeded the first week of February 2023 and set at 3m below the surface. The arrays were harvested in late June 2023. Despite having 45% fewer grow-lines, the total yield of the Nereocystis on the combined arrays was statistically similar to the Nereocystis only arrays. Total yields were greatest on the combined arrays, followed by the Nereocystis only and Saccharina only arrays. These results may have significance for large scale macroalgal production.

09 BIOMASS FUELS↗
DOE OSTI2025

Advanced Cellobiohydrolases (CRADA Final Report)

The purpose of the TCF project was to develop and transfer advanced Cel6A and Cel7A cellulase enzymes to Novozymes for testing on NREL provided DMR treated corn stover. In both cases, we developed advanced Cel6A and Cel7A enzymes that outperform the baseline T. reesei enzymes that are commonly available. The final milestone was to demonstrate an 80% glucan conversion on DMR treated corn stover with an enzyme loading of 10 mg/g glucan. This goal was achieved relatively early in the project and a new stretch goal for Novozymes became to test these enzymes in the Gen 1.5 yeast fermentation platform. The outcome was marginally successful due to temperature and pH optima mismatches between the enzymes (initially developed for use in a standard enzyme cocktail) and conditions suitable for yeast fermentation. Covid-19 and several re-organizations at Novozymes did significantly impact the project timeline, extending it to 2023. However, all of the original goals of the were successfully met or exceeded.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Next-Generation, High-temperature, High-frequency, High-efficiency, High-power-density Traction System

To meet performance and reliability requirements necessary for broader adoption of electric drive vehicles, the Electrical and Electronics Technical Team of the U.S. Drive partnership has established aggressive design goals for next-generation electric vehicle drivetrains. Specifically, the 2025 roadmap stipulates a 100 kW/L power density target and a $\$$2.7/kW cost target for power electronics, in addition to high-voltage operation (i.e., greater than 800 VDC). The additional targets for traction motor and the overall system performance impose further challenges on the power electronics design. For example, many high specific power machines have reduced iron content, and therefore reduced intrinsic filtering, thus requiring the inverter to supply a low-distortion drive current. These machines also typically have a high pole count, thus requiring drive current at a higher electrical frequency. Other motors, such as brush-less dc and switch reluctance machines, require a carefully-shaped, non-sinusoidal drive current (Yang, Shang, Brown, & Krishnamurthy, 2015), (Zhang, Bowman, O'Connel, & Haran, 2018), (Anderson, et al., 2018). Two- and three-level inverter topologies are the conventional framework for the power electronics design of the drivetrain, and some demonstrations have shown recent progress towards addressing cost, power density and efficiency goals (Gurpinar & Ozpineci, 2018), (Zhu, Kim, Chen, Erickson, & Maksimović, 2018), (Deshpande, Chen, Narayanasamy, Sathyanarayanan, & Luo, 2018), (Alizadeh, et al., 2019). However, an unconventional approach may be necessary to take the dramatic leap in power density necessitated by the roadmap—while simultaneously addressing the other system needs. Therefore, this project leverages the flying capacitor multilevel (FCML) topology, together with a scalable, modular approach, to address these needs. This type of hybrid converter has several advantages: lower voltage (i.e., less than 300 V) transistors can be used, energy-dense capacitors process most of the power, and the output current waveform is multilevel and exhibits a frequency multiplying effect—in other words, the output has reduced dv/dt and filtering requirements for the same high voltage dc bus. For example, in an electric vehicle with an 800 V bus, a 10-level FCML could leverage 100 V, commercially available GaN devices switching at 115 kHz to produce a ~1 MHz switching waveform (modulated according to the motor drive requirements) with one ninth of the dv/dt of a two-level converter. Prior work has already demonstrated promising performance and gravimetric power density figures for more electric aircraft applications (Pallo, Foulkes, Modeer, Coday, & Pilawa-Podgurski, 2018). This project leverages lessons learned to achieve the volumetric power density of 100 kW/L by employing advanced liquid cooling, address the 300,000 mile reliability challenge with redundant design, topology failure studies and online health monitoring, and reduce costs to $\$$2.7/kW through the use of low-cost GaN devices, modular converter assemblies, and modest modifications to traditional manufacturing methods. The project involved several hardware designs, each achieving increasing performance. At the conclusion of the project, a volumetric power density of 380 kW/L was achieved, in a 800V dc-ac converter, greatly surpassing even the aggressive target goal.

33 ADVANCED PROPULSION SYSTEMS↗