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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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DOE OSTI2024

Computational Approaches for Clean Energy Materials

Currently, 80% of the global final energy consumption occurs in form of fuels and only 20% as electricity. On the other hand, renewable energy additions come almost exclusively in the form of electricity (dominantly photovoltaics and wind). Thus, a successful energy transition will require enormous growth in renewables, sufficient to convert excess electricity into fuels, as well as the development of non-electricity based solar fuel technologies. As much as photovoltaic capacities have grown over the past 20 years, it is far from clear that current technologies and materials are up to the task to grow from here by yet another factor 100 until 2050. Therefore, sustained research efforts on emerging inorganic semiconductors for solar electricity and fuels are essential for facing the double challenge of climate change and energy security. Computational materials science can make important contributions, guiding and supporting research activities through both materials search and discovery and through detailed studies that help to develop a mechanistic understanding of materials performance and bottlenecks. This presentation will highlight three recent computational projects with relevance for photovoltaics and solar fuels (1) Defect graph neural networks (dGNN) for materials discovery in solar thermochemical hydrogen (STCH) [1]. The dGNN approach facilitates broad and fast materials screening for defect properties. (2) Modeling highly off-stoichiometric systems by evaluating the free energy of defect interaction [2]. This approach allows quantitative prediction of H2 production in complex STCH oxides. (3) First-principles atomic structure prediction for interfaces [3]. This work showed how an atomically thin CdCl2 interlayer phase enables in principle ideal electron transport across the incommensurate SnO2/CdTe interface. [1] M.D. Witman, A. Goyal, T. Ogitsu, A.H. McDaniel, S. Lany, Nat. Comput. Sci. (2023). https://doi.org/10.1038/s43588-023-00495-2. [2] A. Goyal, M.D. Sanders, R.P. O'Hayre, S. Lany, PRX Energy 3, 013008 (2024). https://doi.org/10.1103/PRXEnergy.3.013008. [3] A. Sharan, M. Nardone, D. Krasikov, N. Singh, S. Lany, Appl. Phys. Rev. 9, 041411 (2022). https://doi.org/10.1063/5.0104008.

density functional theory↗
DOE OSTI2024

The Iowa Tribe of Kansas and Nebraska: Advancing Clean, Resilient, and Sovereign Energy

The Iowa Tribe of Kansas and Nebraska (ITKN) is a federally recognized Native American Tribe located along the Missouri River on the border of northeast Kansas and southeastern Nebraska. There are over 800 residents (Tribal citizens and non-Tribal) who live on the reservation, as well as more than 500 people who visit or work on the reservation on a daily basis. The ITKN faces many energy challenges, including rising service costs and dozens of power outages annually that impact resident well-being and business activities on Tribal lands. Power service issues are made more challenging by the remoteness of the reservation, which is 20 miles from the nearest town. Despite this, the ITKN has a long history of cultural and economic resilience: Local self-reliance, environmental stewardship, respecting the carrying capacity of the land, and strengthening the community are Tribal communities' traditional strengths. Long-term energy goals for the ITKN are centered around achieving energy sovereignty. Priority actions include: (1) Establishing a Tribal Utility Authority (TUA) to promote social welfare and community development.; (2) Deploying renewable community microgrids with ground-mount solar arrays and sustainable energy storage systems to advance energy sovereignty, resilience, and reliability. To advance these goals, the ITKN partnered with the U.S. Department of Energy's (DOE's) Communities LEAP (Local Energy Action Program) pilot. From August 2022 to March 2024, the ITKN community coalition collaborated with technical assistance providers at DOE's National Renewable Energy Laboratory (NREL) and Sandia National Laboratories to evaluate TUA planning needs and microgrid deployment scenarios. This fact sheet provides an overview of the results and outcomes from the Communities LEAP technical assistance process.

Communities Leap↗
DOE OSTI2025

Development of Biological and Electrochemical Technologies for the Clean Extraction of Copper and Critical Materials from Low Grade Ores

As we transition toward renewable energy resources and electrification, there will be an increasing demand for critical materials, including copper. While copper is currently mined in the US, processing capacity is not sufficient, and intermediate mining products are shipped to Asia for further processing. The goal of this research was to develop a transformative hydrometallurgical process for the production of copper from low-grade ores that would eliminate the need for smelting and would increase the domestic processing capacity in the US, The project initially focused on the electrochemical reduction of copper concentrate using vanadium, followed by the biological oxidation to produce a stream compatible with existing solvent extraction and electrowinning operations. We discovered an efficient electrochemical process that could produce copper salts from concentrate without the need for biological oxidation, and this technology has been licensed and spun-off into a start-up company. The microbes involved in the current state-of-the-art bioleaching processes were genetically modified to introduced a number of new traits, including increased sulfur oxidation, salt-tolerance, and binding of other critical metals such as cobalt, molybdenum, rhenium, and the rare earth elements. The project was extended to also explore the electrochemical oxidation of copper concentrate using cerium which would potentially eliminate production of hydrogen sulfide that occurs with the reductive leaching process. This technology was found to have slower kinetics, however could it still be developed as an alternative process for domestic copper production and has been found to be applicable to other critical minerals.

42 ENGINEERING↗
DOE OSTI2024

The hydrogen economy can reduce costs of climate change mitigation by up to 22%

In response to the urgent need to mitigate climate change via net-zero targets, many nations are renewing their interest in clean hydrogen as a net-zero energy carrier. Although clean hydrogen can be directly used in various sectors for deep decarbonization, the relatively low energy density and high production costs have raised doubts as to whether clean hydrogen development is worthwhile. Here, we improve on the GCAM model by including a more comprehensive and detailed representation of clean hydrogen production, distribution, and demand in all sectors of the global economy and simulate 25 scenarios to explore the cost-effectiveness of integrating clean hydrogen into the global energy system. We show that, due to costly technical obstacles, clean hydrogen can only provide 3%–9% of the 2050 global final energy use. Nevertheless, clean hydrogen deployment can reduce overall energy decarbonization costs by 15%–22%, mainly via powering “hard-to-electrify” sectors that would otherwise face high decarbonization expenditures. Our work provides practical references for cost-effective clean hydrogen planning.

08 HYDROGEN↗
DOE OSTI2024

Ash Fouling Free Regenerative Air Preheater for Deep Cyclic Operation

The University of Kentucky (UKy) project titled “Ash Fouling Free Regenerative Air Preheater for Deep Cyclic Operation”, DE-FE0031757, was conducted from 8/15/2019 to 8/14/2024 in two Budget Periods. Other participants included PPL Corporation and Black Dragon Double Boiler. The overall goal was to investigate the proposed self-cleaning technology to achieve ash fouling free air preheater operation in a coal-fired power plant, especially during deep cycling. All project deliverables, milestones, and success criteria were met. UKy obtained the following scientific findings. • Temporary and periodic high temperature of heating elements (450 ~ 500 °F) can prevent ash accumulation and maintain air preheater free of clogging. • The ash samples analysis and unit operation provide solid evidence of ABS formed during low load with SCR ammonia slip being the major cause of ash accumulation, and air preheater clogging can be prevented by raising the heating element temperature up to 450 °F~ 500 °F at which ABS is decomposed. • In-situ self-cleaning can be controlled by monitoring temperature and/or presetting fixed number of cleanings per day. Both approaches in pilot testing show positive results for maintaining an ash free state for the air preheater. • Temperature criteria (cold end or gas outlet temperature) for entering self-cleaning service is critical to balance the number of cleaning cycles with maintaining the ash level. • Temperature criteria (cold end or gas outlet temperature) for exiting self-cleaning service is critical to balance the duration of the cleaning cycles with maintaining the ash level.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2026

Demonstration of Electrolyzer Operation at a Nuclear Plant to Allow for Dynamic Participation in an Organized Electricity Market and In-House Hydrogen Supply

This document details the execution of Cooperative Agreement DE-EE0008849, “demonstration of electrolyzer operation at a nuclear plant to allow for dynamic participation in an organized electricity market and in-house hydrogen supply” during the performance period of 10/1/2019 – 9/30/2024. The project was funded by the U.S. Department of Energy’s Office of Energy Efficiency and Renewable Energy (EERE). Constellation Energy Generation, LLC (formerly Exelon Generation Company, LLC) is the prime recipient of the award. Other members of the project team are INL, NREL, ANL and Nel Hydrogen. The main project objective was to demonstrate an end-to-end integrated grid-scale carbon-free H 2 production, storage and utilization pilot plant at a nuclear generating facility. The project also aimed to evaluate market opportunities and regulatory requirements related to the participation of integrated hydrogen production and nuclear plant facilities in organized power markets, by demonstrating dynamic control and operation of the electrolyzer and assessing the economics of dynamic participation combined with the revenue streams from hydrogen production. On March 7th , 2023 Constellation started hydrogen production at it’s Nine Mile Point Nuclear Plant in Oswego, New York. The PEM electrolyzer operating at Nine Mile Point uses 1.25 megawatt of nuclear electricity to produce 560 kilograms of clean hydrogen per day, more than enough to meet the plant’s operational hydrogen use. It will also help set the stage for possible large-scale deployments at other clean energy centers in Constellation’s fleet that would couple clean hydrogen production with storage and other on-site uses. Employing the lessons learned from the 1.25 MW demonstration-scale, nuclear-powered clean hydrogen production facility at Nine Mile Point, Constellation was a major participant in the MachH2 hydrogen hub recently selected for up to $\$$1 billion by the Department of Energy (DOE) as part of the bipartisan Infrastructure Investment and Jobs Act. Constellation will use a portion of the hub funding to build the world’s largest nuclear-powered clean hydrogen production facility at its LaSalle Clean Energy Center in Illinois. The project was featured in a number of news articles and press releases and received 2 awards. At the 2023 DOE HFTO’s Annual Merit Review meeting, the P.I. Dr. Uuganbayar Otgonbaatar and project manager Robert Beaumont were recognized for “outstanding achievements in the development and demonstration of a first-of-a-kind clean hydrogen production facility, powered by carbon-free nuclear energy, at the Nine Mile Point Nuclear Station in Oswego, New York.” The project was also awarded 2023 Nuclear Energy Institute’s Top Innovative Practice award.

08 HYDROGEN↗
DOE OSTI2024

Zero Emission Cargo Transport (ZECT) II Demonstration: South Coast Air Quality Management District (Final Report)

The South Coast Air Quality Management District (South Coast AQMD), California Air Resources Board (CARB) and Southern California Association of Governments (SCAG) — the agencies responsible for preparing the State Implementation Plan required under the federal Clean Air Act — have agreed that attainment of federal air quality standards for the region will require a transition to the broad use of zero and near-zero emission energy sources in cars, trucks and other equipment. Accordingly, the 2012 South Coast AQMD Air Quality Management Plan, the SCAG 2012 Regional Transportation Plan, and the “Vision for Clean Air: A Framework for Air Quality and Climate Control Planning” all identify the need to immediately enact a phasing in of zero and near-zero emission technologies to meet air quality goals. In 2014, South Coast AQMD was awarded grant funding under the US Department of Energy Zero Emission Cargo Transport (ZECT) II Demonstration program to develop and demonstrate zero-emission drayage trucks for goods movement operations between the Port of Los Angeles (POLA) and Port of Long Beach (POLB) near dock rail yards and warehouses: 1) development and demonstration of zero-emission fuel cell range extended electric drayage trucks and 2) development and demonstration of hybrid electric drayage trucks. The purpose of this project was to accelerate deployment of zero emission cargo transport technologies to reduce harmful diesel emissions, petroleum consumption and greenhouse gases in the surrounding communities along the goods movement corridors that are impacted by heavy diesel traffic and the associated air pollution. Between 2014 – 2024, six ZECT II zero-emission fuel cell drayage truck platforms, including fuel cell range extended and CNG hybrid trucks, were successfully designed, developed, integrated, built, tested, and demonstrated with drayage fleet operators in transportation corridors within areas of the South Coast AQMD jurisdiction in Southern California such as in and around POLA and POLB. Portable hydrogen refueling was deployed to support the fuel cell vehicles. The project had real-time improvement with on-going debugging and optimizations while the vehicles were under demonstration. All platforms demonstrated sufficient or excess power, torque, and energy to support 82,000lbs Gross Vehicle Weight Rating and gradeability to perform their daily duty cycles. Collectively, the trucks drove over 23,000 miles during their respective demonstration phases. The ZECT II project was the first of its kind to demonstrate the commercial viability that supported the additional technology breakthroughs for Class 8 zero emission trucks and validations as well as the regulatory basis for all the zero-emission regulation that we know today, such as the Innovative Clean Transit regulation, Advanced Clean Trucks and Clean Fleet regulations.

08 HYDROGEN↗
DOE OSTI2025

Optimization of edge bead removal (EBR) process to enhance defect reduction in optical lithography

Defect reduction remains a critical objective in the integrated circuit manufacturing process, particularly within the highly re-entrant lithography modules where minimizing defects is crucial. Defects at the wafer edge can contaminate lithography modules and downstream processing equipment, leading to redistribution onto the wafer surface and adversely affecting overall device yield. A persistent challenge in the resist coating process is the formation of resist edge beads, driven by the strong Van der Waals attraction of excess photoresist (PR) to itself and the underlying substrate. The edge bead removal (EBR) process is a standard cleaning step designed to eliminate these edge beads and prevent potential contamination. Here, in this study, we identify the sources of EBR induced defects and additional EBR process encroachment toward edge patterning during the EBR cleaning process. This study provides a comprehensive study aimed at optimizing the EBR cleaning process to effectively eliminate EBR-induced defects, thereby enhancing overall device yield. Specifically, we identify three primary defects induced by the EBR cleaning process: rainbow-type, finger-shaped, and teardrop-type defects. Our experimental study reveals that in addition to EBR rinse time, PR cast time is crucial parameters contributing to the formation of these defects. By properly optimizing the PR cast time and EBR rinse time, we were able to remove nearly 100 % of dense clusters of defects that were easily visible even at low magnification optical microscopy throughout the wafer edge. We observed that shorter PR casting times shows edge defects caused by inefficient EBR process because of insufficient time for PR to fully settle causing superfluous PR to continue flowing toward wafer edge during EBR clearing step, leading to partial removal of PR at the wafer edge and the formation of rainbow defects. Proper optimization of both PR casting time and EBR chemistries dispense time is essential to resolve these defects, ensuring efficient EBR cleaning process and improved overall device yield.

42 ENGINEERING↗
DOE OSTI2024

Wholesale Electricity Market Design to Support Resource Adequacy

Wholesale electricity markets are intended to incentivize system generation investments and operations outcomes that meet evolving system needs. In this work, we evaluate the effectiveness of wholesale market structures, rules and policies in achieving system resource adequacy (RA) and clean energy targets in the presence of self-interested generation investors using the Electricity Markets and Investment Suite Agent-based Simulation (EMIS-AS) model. Results highlight that both capacity markets and operating reserve demand curves (ORDCs) can help achieve a reliable system but with different RA compliance timelines and distribution of generation technologies. Structures with capacity markets tend to favor more capital-intensive peaking technologies while reducing wind and solar build-outs due to suppressed energy and clean energy market prices, particularly in the absence of strong clean energy targets. Conversely, ORDCs improve the commitment of available generation units, but this comes at the expense of higher system costs and renewable generation curtailment. We also find that well-calibrated static capacity demand curves can yield similar reliability and total cost compared to capacity market demand curves informed dynamically by resource adequacy while also yielding stable annual capacity prices. Different approaches to formulating ORDC curves can also yield key trade-offs, namely that a more efficient treatment of storage chronology results in lower ORDC curves and prices, yielding less investment and cost but at the expense of reliability. Finally, the effectiveness of wholesale electricity markets in practically achieving very high clean energy generation targets highly depends on the cost-competitiveness of clean energy technologies that can support critical balancing needs across multiple timescales.

agent based modeling↗
DOE OSTI2024

Developing socially and economically generative, resilient PV-energy systems for low- and moderate-income communities: Applications for Puerto Rico (Final Technical Report)

The nexus of energy and poverty is one of the most significant long-term challenges facing the energy and electricity sectors, with negative feedback loops between energy-related costs, risks, and insecurities, on the one hand, and diverse other social and economic insecurities, on the other, helping to undermine health, wellbeing, and resilience in low- and moderate-income communities around the US and the world (Biswas et al. 2022). The transition of energy systems to clean energy alternatives offers a potential opportunity to redesign future energy arrangements in ways that, instead, create beneficial social value for communities, reverses the energy-poverty nexus, and enhances community wellbeing (Biswas et al. 2020; Miller et al. 2018). The promise of clean energy transitions to address the energy-poverty nexus is especially significant when designed using principles of just energy transitions. To leverage just clean energy transitions to accomplish a reversal of the energy-poverty nexus requires improvement in three capabilities: (1) Understanding and mapping the community-scale dynamics and variability of the energy-poverty nexus, which vary considerably from community to community; (2) Evaluating the technical, social, and economic potential for different clean energy system designs to deliver social value to specific communities; and (3) Working collaboratively with communities to imagine and design clean energy systems solutions that meet their needs, fit their capabilities and contexts, and deliver multiple forms of community-desired social value/benefits that help reverse key facets of the energy-poverty nexus. This project developed a portfolio of novel tools, methodological approaches, and collaborative partnerships with four communities in Puerto Rico that further the objective of building these three capabilities.

14 SOLAR ENERGY↗
DOE OSTI2025

Automation of debris removal and resurfacing of insulators in terawatt pulsed power systems using state of the art laser technology

The increasing complexity and scale of pulsed power systems necessitate effective maintenance strategies to ensure optimal performance and safety. This report investigates the automation of debris removal and resurfacing of insulators in terawatt pulsed power systems using advanced laser cleaning technologies. The motivation for this research stems from the limitations of current manual cleaning methods, which are labor-intensive and pose health risks due to hazardous materials. The study addresses the problem of surface flashover, a significant issue affecting insulator performance, by evaluating two innovative cleaning techniques: Pulsed Laser Cleaning (PLC) and Flash Lamp Annealing (FLA). Experimental results demonstrate that PLC effectively restores the dielectric strength of Rexolite insulators, while FLA shows limited success. The findings highlight the potential for automated cleaning solutions to enhance safety and efficiency in insulator maintenance, paving the way for future advancements in pulsed power technology.

42 ENGINEERING↗
DOE OSTI2024

Baseload Hydrogen Production Using Nuclear and Renewable Energy: A Comparative Analysis

As the global push towards net zero carbon gains momentum, the demand for clean hydrogen is expected to grow rapidly across various sectors, including transportation, industries and electrical grids. To meet this growing hydrogen demand, baseload hydrogen production facilities capable of providing a continuous and reliable supply of hydrogen will be necessary throughout the world. This paper explores the technoeconomic feasibility of establishing baseload electrolytic hydrogen production facilities in the United States, utilizing different clean generation resources. The key criteria include maintaining a consistent supply of clean hydrogen without putting baseload demand stress to already vulnerable power grid. In order to do that, the proposed facilities will host onsite clean power generation and energy storage technologies. The proposed facilities can capitalize on available investment and production incentives and have ability to export excess electricity to the utility at a bulk price. Several scenarios are considered based on the clean energy resources to support the electrolysis process including light water reactors (LWRs) currently evaluating retirement options, wind, solar PVs, and advanced small modular reactors (SMRs). For each scenario, a hypothetical hydrogen production facility is considered in a location in the US where the primary generation resource is at its peak strength. Comparative analysis in this paper reveal that the nuclear power plants are most economically viable for baseload hydrogen production facilities, outperforming renewable-based facilities with significantly lower levelized cost of hydrogen (LCOH). Even under best-case scenarios for resource availability, incentives and export prices, renewable-based facilities face challenges due to daily and seasonal generation variability, resulting in large installation sizes and lower capacity factors. Among renewable-based facilities, complementarity hybrids, providing more stable power supply, demonstrate superior economics compared to facilities based on a single renewable technology. While LWR-powered facility can achieve a negative LCOH with incentives, SMR-powered facilities can provide economic hydrogen supply with LCOH below $1/kg with high temperature electrolysis option. The analysis in this paper underscores the pivotal role of nuclear energy in the future hydrogen economy.

08 - HYDROGEN↗
DOE OSTI2024

Battery Storage Unlocked: Lessons Learned From Emerging Economies

The Clean Energy Ministerial (CEM) is a global forum that promotes policies and programs that advance clean energy technology. The CEM's mission is to bring together a community of global leaders to scale clean energy, amplifying the impact to all the sectors of the economy and applying a whole-of-society approach to meet collective climate and clean energy goals. At COP28 in Dubai, United Arab Emirates, the CEM announced the Supercharging Battery Storage Initiative as a vehicle to accelerate battery storage deployment around the world. The initiative supports countries around the world in co-creating strategies that enhance policy, regulation, supply chain, manufacturing, and financing solutions for battery energy storage deployment. Additionally, the initiative seeks to reduce the cost of the technology and promote diversified, sustainable, and secure supply chains (CEM n.d.). Through international collaboration, the initiative supports the integration of renewable energy globally, while securing the stability and reliability of the electricity grid.

batteries↗
DOE OSTI2025

Use of Frit‐Disc Crucible Sets to Make Solution Growth More Quantitative and Versatile

The recent availability of step‐edge, frit‐disc crucible sets (generally sold as Canfield Crucible Sets or CCS) has led to multiple innovations associated with the group's use of solution growth. The use of CCS allows for the clean separation of liquid from solid phases during the growth process. This clean separation enables the reuse of the decanted liquid, either allowing for simple, economic, savings associated with recycling expensive precursor elements or allowing for the fractionation of a growth into multiple, small steps, revealing the progression of multiple solidifications. Clean separation of liquid from solid phases also allows for the determination of the liquidus line (or surface) and the creation, or correction, of composition–temperature phase diagrams. The reuse of clean decanted liquid has also allowed to prepare liquids ideally suited for the growth of large single crystals of specific phases by tuning the composition of the melt to the optimal composition for growth of the desired phase, often with reduced nucleation sites. Finally, it is discussed how solution growth and CCS use can be harnessed to provide a plethora of composition–temperature data points defining liquidus lines or surfaces with differing degrees of precision to either test or anchor artificial intelligence and/or machine‐learning‐based attempts to augment and extend the limited experimentally determined database.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Future grid mix impacts on whole-building life cycle assessment

Building construction and operation are a significant contribution to global greenhouse gas emissions, so understanding and mitigating emissions is crucial for reliable and realistic emissions accounting. Whole-building Life Cycle Assessment (WBLCA) is an emissions accounting method that considers lifetime environmental impacts of a building during its construction, operation, and eventual end-of-life. When performing WBLCAs, emission calculations from the building's operation over the entire building lifespan are typically based on today's energy grid mixes. This method does not consider changes or advancements in the clean energy proportion within the grid mix and can over or under-inflate results, skewing the ratio of embodied vs. operational environmental impacts. While a variety of prediction tools estimate what future grid emissions might be, predictions can vary widely. To predict the clean energy ratio within future grid mixes and the potential impact these changes might have on WBLCA, annual data from several existing U.S. grid models was averaged and probabilistic modeling was used to extend the usable projections of shorter forecasts. Results show that clean energy sources will likely continue to increase over time, although the rate of growth varies by model. On average, by 2085, the clean energy penetration of the grid is projected to reach ~81% and renewable energy is projected to reach ~71%, although no widespread consensus is reached. To understand how the future grid mix impacts lifetime building emissions within a WBLCA context, the team analyzed two 2021 IECC-compliant all-electric residential buildings: one built from traditional materials and construction processes and the other built with carbon sequestering materials and modular assembly, with a portion of energy generated on site. The results indicate that a moderate estimate of future electricity grid mixes shows a reduction of yearly operational emissions for traditional residential buildings of 55% between 2025 and 2085, and a corresponding reduction of 48% of total emissions over a 60 year building lifespan. This study offers a nuanced approach to account for the variability of future grid mix models and provides an average trend-line based on a robust collection of scenarios.

Life Cycle Assessment (LCA)↗