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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Simplifying the Chemical Design of Nonfused-Ring Electron Acceptors─Lessons Learned from Thienothiophene and Benzodithiophene Cores

Nonfused-ring electron acceptors (NFREA)s have been proposed as alternatives to fused-ring acceptors in organic photovoltaics (OPV)s. The simpler molecular design of NFREAs results in a reduced synthetic complexity, potentially lowering manufacturing costs, and easier access to desired optoelectronic properties by structural modifications. However, they have not seen the same rise in popularity as fused nonfullerene acceptors (NFA)s due to their lower performances in devices. In this work, we explore structure–property relationships of three NFREA molecules based on thieno[3,2-b]thiophene (TT) and benzo[1,2-b:4,5-b′]dithiophene (BDT) cores and malononitrile functionalized-isatin end group acceptors. We describe their synthetic routes, computational analysis, and photophysical and electronic properties. Here, we investigated the effect of changing the core from TT to BDT on electronic properties of the molecules─a result of raising/lowering of the frontier molecular orbital (FMO) levels. We also explored the effect of branched vs nonbranched alkyl groups on the morphological and blend-capabilities in bulk heterojunction (BHJ) OPV devices. These effects were then reflected in the overall device performances, primarily due to favorable FMO energy alignment between the NFREA and polymer. To investigate the behavior of the excited states of the NFREAs within the active layer of the devices, we performed time-resolved microwave conductivity and transient absorption experiments, which confirmed that the TT molecules exhibited very low conductance while the BDT molecule showed moderate photoconductance. Our combined theoretical, synthetic, device, and charge carrier dynamics studies of these materials reveal the central role that structure–property relationships play in future molecular designs of NFREAs that can perform as well as their fused counterparts.

14 SOLAR ENERGY↗
DOE OSTI2022

Assessment of rhizosphere bacterial diversity and composition in a metal hyperaccumulator (Boehmeria nivea) and a nonaccumulator (Artemisia annua) in an antimony mine

Abstract Aims Heavy metal hyperaccumulators are widely used in mining restoration due to their ability to accumulate and transport heavy metals, compared to nonaccumulators. Rhizosphere bacteria in metal hyperaccumulators play a key role in the uptake of heavy metals from soil; however, assessments of the differences of rhizosphere bacteria between metal hyperaccumulators and nonaccumulator are scarce. Methods and results To understand the difference of bacterial composition between hyperaccumulator and nonaccumulator in rhizosphere, the diversity and composition of rhizosphere bacteria in a metal hyperaccumulator (Boehmeria nivea) and a nonaccumulator (Artemisia annua) grown in the same field in Xikuangshan were evaluated using Illumina Miseq high-throughput sequencing technology. Boehmeria nivea and A. annua had 3926 overlapping OTUs, 19,736 and 17,579 unique OTUs, respectively. Boehmeria nivea had lower Chao1 index, Shannon index and Pielou index than A. annua. The dominant phyla and genera of rhizosphere bacteria in B. nivea and A. annua were similar, but some rhizosphere bacterial communities with heavy metal remediation ability mainly appeared in the rhizosphere of the hyperaccumulator. Compared to A. annua, B. nivea showed a significantly higher relative abundance of rhizosphere bacteria, such as Acidobacteria and Bacteroidete at the phylum level and RB41 at the genus level. Some specific rhizosphere bacteria with the ability to bind metal, such as Leifsonia and Kibdelosporangium, were only found in the rhizosphere of B. nivea. Conclusion Results indicated that B. nivea, as a metal hyperaccumulator, has a key function in governing metal-resistant rhizosphere bacteria in response to antimony compound pollution stress. Significance and Impact of Study Understanding the diversity of rhizosphere bacteria between hyperaccumulators and nonaccumulators is beneficial to formulate strategies to improve metal uptake efficiency by selecting specific plant species and rhizosphere bacteria grown on polluted soil.

Lin, Yuxiang↗
NASA NTRS2015

Vision 2040: Evolving the Successful International Space University

Space exploration has always been full of inspiration, innovation, and creativity, with the promise of expanding human civilization beyond Earth. The space sector is currently experiencing rapid change as disruptive technologies, grassroots programs, and new commercial initiatives have reshaped long-standing methods of operation. Throughout the last 28 years, the International Space University (ISU) has been a leading institution for space education, forming international partnerships, and encouraging entrepreneurship in its over 4,000 alumni. In this report, our Vision 2040 team projected the next 25 years of space exploration and analyzed how ISU could remain a leading institution in the rapidly changing industry. Vision 2040 considered five important future scenarios for the space sector: real-time Earth applications, orbital stations, lunar bases, lunar and asteroid mining, and a human presence on Mars. We identified the signals of disruptive change within these scenarios, including underlying driving forces and potential challenges, and derived a set of skills that will be required in the future space industry. Using these skills as a starting point, we proposed strategies in five areas of focus for ISU: the future of the Space Studies Program (SSP), analog missions, outreach, alumni, and startups. We concluded that ISU could become not just an increasingly innovative educational institution, but one that acts as an international organization that drives space commercialization, exploration, innovation, and cooperation.

Martin, Gary↗
DOE OSTI2023

Building Environmental Justice and Equity into the Development of Critical Mineral Industries

The global transition toward low-carbon energy not only means an increase in demand for clean electricity and renewable resources, but also an increase in demand for the critical minerals (CMs) and rare earth elements (REEs) that these technologies rely upon. Indeed, low-carbon energy technologies, such as those used for wind turbines and electric vehicle motors, require significantly more lithium, nickel, cobalt, manganese, graphite, and other CMs than fossil-based energy technologies. The growing demand for new forms of low- carbon energy will necessitate a proportional scale-up of CM and REE extraction and processing. Presently, the majority of extraction and processing activities for CMs and REEs are concentrated in very few countries, primarily in China and the Global South. CM and REE supply chain activities conducted in or controlled by these countries are commonly associated with widespread and well- documented human rights abuses and environmental degradation. As a result of concerns related to supply chain security, worker welfare, and the overall need for additional sources of CMs and REEs, governments worldwide have begun to explore policy pathways for the development of new supply chains. The development of new supply chains for CMs and REEs re s a multifold opportunity to accelerate the global deployment of low-carbon energy fleets, reduce global carbon emissions, build political resilience—and also to enhance policy objectives of environmental justice and equity in the clean energy transition. Fulfilling these policy objectives requires energy producers to navigate a maze of global supply chain policies designed to shape and accelerate the growth of new markets. In the United States, for instance, President Biden recently implemented fiscal and trade policies that incentivize both domestic and global reliance on U.S.-produced CMs and REEs, leveraging key relationships in Asia and Europe to ensure the accelerated buildout of the U.S. supply chain. The Biden Administration’s framework also emphasizes that new supply chains for CMs, REEs, and other low-carbon energy pathways must generate benefits for marginalized and disadvantaged communities, build energy equity, and contribute to the Biden Administration’s vision of environmental justice. present CM and REE supply chains include several stages, including mining, processing, transport, utilization, and disposal, each of which involves different environmental justice considerations and potential injustices. This study explores how technical innovation, paired with responsible community engagement and empowerment, can help inform the development of energy equity and environmental justice at all stages of new supply chains. The study highlights these opportunities on a broad scale. We also lend a specific focus to research at the University of Wyoming School of Energy Resources that aims to guide the development of CM and REE industries in communities with high economic dependence on coal and other fossil fuel industries, identifying pathways to grow a U.S. domestic supply chain by producing CMs from coal, coal by-products, and coal waste streams. These production pathways represent a potential new supply for CMs across the U.S. and elsewhere, thereby enhancing national security and accelerating the widespread deployment of low-carbon energy technologies, while also generating alternative applications for remaining coal reserves and aiding in a just transition for rural energy-producing communities.

Gerace, Selena↗
DOE OSTI2025

Infrastructure and resource development needs to support a significant expansion of US nuclear capacity

In December 2023, the United States pledged at a United Nations conference to triple nuclear energy by 2050. In May of 2025 a new administration announced plans to quadruple nuclear energy by 2025, setting a new target that requires understanding the key infrastructure and resources needed to achieve large-scale deployment. This study attempts to quantify “what it takes” to deploy an additional 200 GWe of nuclear capacity. It projects demand levels for workforce, fuel, uranium mining and enrichment, waste management, supply chain, land, licensing, and water. Demand growth is also contextualized. For example, the peak number of construction workers required is approximately 215,000, a 37 % increase in the current US utility construction workforce. Up to 80,000 MT/year of mined uranium will be needed, necessitating a 60-fold increase in US mining production or a doubling of global mining if sourced externally. Advanced reactor fuels, uranium mining, and nuclear-grade equipment production would need substantial expansion. Operational workforce, enrichment needs, and licensing submissions also face significant increases. Although water consumption may see relatively lower increases, securing water rights poses unique challenges. This study consolidates various demand metrics in a broad context, highlighting the necessity of early preparations, such as workforce training, to support a tripling of nuclear energy. While it outlines the demand-side requirements, it does not assess the difficulties of ramping up or other supply-side issues. The findings also shed light on the impact of reactor size and reactor technology on various demand metrics.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS2011

A Contemporary Analysis of the O'Neill-Glaser Model for Space-Based Solar Power and Habitat Construction

In 1975 Gerard O Neill published in the journal Science a model for the construction of solar power satellites. He found that the solar power satellites suggested by Peter Glaser would be too massive to launch economically from Earth, but could be financially viable if the workforce was permanently located in free space habitats and if lunar and asteroid materials were used for construction. All new worldwide electrical generating capacity could be then achieved by solar power satellites. The project would financially break even in about 20 years after which it would generate substantial income selling power below fossil fuel prices. Two NASA / Stanford University led studies at Ames Research center during the summers of 1974 and 1976 found the concept technically sound and developed a detailed financial parametric model. Although the project was not undertaken when suggested in the 1970s, several contemporary issues make pursuing the O Neill -- Glaser concept more compelling today. First, our analysis suggests that if in the first ten years of construction that small habitats (compared to the large vista habitats envisioned by O Neill) supporting approximately 300 people were utilized, development costs of the program and the time for financial break even could be substantially improved. Second, the contemporary consensus is developing that carbon free energy is required to mitigate global climate change. It is estimated that 300 GW of new carbon free energy would be necessary per year to stabilize global atmospheric carbon. This is about 4 times greater energy demand than was considered by the O Neill Glaser model. Our analysis suggests that after the initial investments in lunar mining and space manufacturing and transportation, that the profit margin for producing space solar power is very high (even when selling power below fossil fuel prices). We have investigated the financial scaling of ground launched versus space derived space solar power satellites. We find that for the carbon mitigation case even modernized ground launched space solar power satellites are not financially viable. For space derived solar power satellites, however, the increased demand makes them break even substantially sooner and yield much higher profit. Third, current awareness is increasing about the dangers of humanity remaining a single planet species. Our technological power has been increasing relative to the size of the planet Earth. Since the middle of the 20th century our technological power has grown large relative to our planet's size. This presents a very real potential for human self-extinction. We argue that the potential for human self-extinction is increasing with time in proportion to the exponential growth of our technological power making self-extinction likely within this century if humanity remains a single planet species. The O Neill model of multiple independent free space habitats, it is argued, can protect humanity from extinction in the same way that portfolio diversification protects ones assets from total loss. We show that about 1 million people for the electricity only case, and about 1 billion people for the carbon mitigation case, can be provided with permanent space habitats and transportation from Earth in 30 years and can be funded by the space derived solar power satellite program. 1.2 Scope of this Chapter The goal of this chapter is to illustrate the power and importance of the O'Neill-Glaser concept in the context of human survival and maintaining a healthy planet Earth. We argue that at this point in human history our technological power is too dangerous to our selves and our home planet for us not to expand into space. We show by the models presented in the chapter that the imminent dangers of global warming and human self-extinction mandate that humanity move aggressively into the solar system in this generation. We show that the production of solar power satellites using space resources and with a work foe living in space provides a viable financial model to mitigate CO2 preventing the worst global warming scenarios, and safeguards humanity against self-extinction by providing hundreds of habitats and a billion people living in space within about 35 years. To accomplish this goal we need only consider the classic O'Neill-Glaser model which was parameterized for 1970's technological projections. Only habitat size optimization for the first ten years of production is added. This is a conservative approach since the innovations of the last 30 years will make the financial projections more favorable. However, the classic O'Neill-Glaser model represented a broad technological consensus. The model is well documented in the references and our calculations can be easily reproduced In this chapter the economics of the O Neill - Glaser model is compared with models that rely exclusively on Earth launched materials. Although many studies of Earth launched Solar Power Satellites have been made, we found that the NASA "Fresh Look Study" was the most comprehensive and well documented. It also provided one of the most optimistic Earth launch financial projections. We thus chose it for comparison purposes.

Curreri, Peter A.↗
NASA NTRS2010

2010 NASA Exploration Systems Mission Directorate: Lunabotics Mining Competition Systems Engineering Paper

A fast growing approach in determining the best design concept for a problem is to hold a competition in which the rules are based on requirements similar to the actual problem. By going public with such competitions, sponsoring entities receive some of the most innovative engineering solutions in a fraction of the time and cost it would have taken to develop such concepts internally. Space exploration is a large benefactor of such design competitions as seen by the results of X-Prize Foundation and NASA lunar excavation competitions [1]. The results of NASA's past lunar excavator challenges has led to the need for an effective means of collecting lunar regolith in the absence of human beings. The 2010 Exploration Systems Mission Directorate (ESMD) Lunar Excavation Challenge was created "to engage and retain students in science, technology, engineering, and mathematics, or STEM, in a competitive environment that may result in innovative ideas and solutions, which could be applied to actual lunar excavation for NASA." [2]. The ESMD Challenge calls for "teams to use telerobotics or autonomous operations to excavate at least 10kg of lunar regolith simulant in a 15 minute time limit" [2]. The Systems Engineering approach was used in accordance with Auburn University's mechanical engineering senior design course (MECH 4240-50) to develop a telerobotic lunar excavator, seen in Fig. 1, that fulfilled requirements imposed by the NASA ESMD Competition Rules. The goal of the senior design project was to have a validated lunar excavator that would be used in the NASA ESMD lunar excavation challenge.

Source record↗
DOE OSTI2024

Artificial-Intelligence Aided Design and Synthesis of Novel Layered 2D Multi-Principal Element Materials for Energy Storage (Final Report)

This DOE-EPSCoR project aimed to predict, synthesize, and characterize novel layered two-dimensional (2D) high-entropy materials (HEMs). These 2D-HEMs, composed of multiple principal elements in nearly equal concentrations, are distinct from traditional 2D materials (typically containing two or three elements) and conventional alloys (dominated by a single primary element with minor secondary additions). Their unique structural and compositional features enable significant lattice strain accommodation, resulting in enhanced electrode performance and potential applications in catalysis, hydrogen storage, sensing, quantum information technologies, and flexible electronics. The research focused on addressing four fundamental questions: (i) What combinations of elements can form stable and synthesizable 2D-HEMs? (ii) What mechanisms drive the stability and synthesizability of crystalline single-phase 2D-HEMs? (iii) How do local chemical disorder and defects influence the macroscopic electronic and mechanical properties? and (iv) What charge storage mechanisms are active in selectively synthesized 2D-HEMs for battery and supercapacitor electrode applications? To achieve these goals, the project employed an integrated theory-experiment approach, incorporating high-throughput first-principles calculations, theoretical modeling, data mining, experimental synthesis, and advanced characterization techniques. The advanced computing resources and state-of-the-art experimental characterization facilities at Oak Ridge National Laboratory (ORNL) were leveraged through collaboration. Beyond scientific advancements, the project contributed to workforce development. Two postdoctoral researchers and three graduate students at the University of Maine were trained through co-advising by ORNL scientists and collaborative interactions, strengthening their expertise in cutting-edge materials science.

36 MATERIALS SCIENCE↗
NASA NTRS1974

Earth Resources Technology Satellite data collection project, ERTS - Bolivia

The Earth Resources Technology Satellite program of Bolivia has developed a multidisciplinary project to carry out investigations in cartography and to prepare various thematic maps. In cartography, investigations are being carried out with the ERTS-1 images and with existing maps, to determine their application to the preparation of new cartographic products on one hand and on the other to map those regions where the cartography is still deficient. The application of the MSS images to the geological mapping has given more than satisfactory results. Working with conventional photointerpretation, it has been possible to prepare regional geological maps, tectonic maps, studies relative to mining, geomorphological maps, studies relative to petroleum exploration, volcanological maps and maps of hydrologic basins. In agriculture, the ERTS images are used to study land classification and forest and soils mapping.

Brockmann, C. E.↗
DOE OSTI2025

CIE Curriculum Guide (V.2.0)

The Cyber-Informed Engineering (CIE) Curriculum Guide offers a comprehensive framework, guidance, and resources for integrating CIE into university-level engineering programs and related educational activities. The primary goal is to help educators adopt CIE principles into their teaching to produce future engineers and technicians who understand digital risks in modern engineered systems, thereby addressing the nation’s infrastructure resilience needs. This guide outlines practical integration examples, links to resources to accelerate CIE adoption, and shares insights from partner academic institutions on various implementation strategies. CIE is a framework for embedding engineered controls that mitigate the impact of cyber-attacks in any cyber-physical system used in critical energy infrastructure and other sectors. Developed by the U.S. Department of Energy’s Office of Cybersecurity, Energy Security, and Emergency Response (CESER), the National Cyber-Informed Engineering Strategy emphasizes embedding CIE into formal education, training, and credentialing. This guide supports this strategic objective by providing examples of integrating CIE concepts into engineering curricula, from class activities to new courses and certificate programs. The importance of educating cyber-informed engineers is underscored by the evolving cybersecurity threats facing engineered systems. As industrial control systems (ICS) increasingly incorporate digital technologies, the responsibility for security extends to both cyber professionals and engineers. CIE addresses critical gaps in designing and protecting physical systems with digital components against cyber risks, ensuring engineers consider digital risk throughout the engineering design lifecycle. Currently, engineering education does not routinely include cyber-informed principles, highlighting a gap in addressing modern engineering system risks. This guide advocates for updating engineering curricula to include digital risk management as a fundamental element. By doing so, future engineers will be equipped to design resilient systems that mitigate digital risks from the outset. Through this guide, engineering faculty can integrate CIE into their curricula, bridging the gap between digital risk and engineering. This approach prepares a cyber-informed workforce capable of safeguarding the cyber-physical systems crucial to national security and public welfare. By embedding CIE into education and training, institutions can produce engineers and technicians who can effectively mitigate cyber impacts throughout the engineering design lifecycle, resulting in more secure critical infrastructures.

42 - ENGINEERING↗
NASA NTRS1985

Seasat data applications in ocean industries

It is pointed out that the world population expansion and resulting shortages of food, minerals, and fuel have focused additional attention on the world's oceans. In this context, aspects of weather prediction and the monitoring/prediction of long-range climatic anomalies become more important. In spite of technological advances, the commercial ocean industry and the naval forces suffer now from inadequate data and forecast products related to the oceans. The Seasat Program and the planned Navy-Remote Oceanographic Satellite System (N-ROSS) represent major contributions to improved observational coverage and the processing needed to achieve better forecasts. The Seasat Program was initiated to evaluate the effectiveness of the remote sensing of oceanographic phenomena from a satellite platform. Possible oceanographic satellite applications are presented in a table, and the impact of Seasat data on industry sectors is discussed. Attention is given to offshore oil development, deep-ocean mining, fishing, and marine transportation.

Montgomery, D. R.↗
DOE OSTI2023

Preliminary Report on Compositional Specification for Printed 316SS

The Advanced Materials and Manufacturing Technologies Program is focused on accelerating the development and deployment of advanced materials and components fabricated via additive manufacturing (AM). A key challenge for the widespread adoption of AM is the variability in material properties, which can originate from powder feedstock, process parameters, geometry, and the machine. AM powder feedstock compositions are based on those developed for conventional manufacturing. However, the smaller melt pools combined with multiple melt cycles over the course of a build can have substantial effects on the local phase selection resulting from minor batch-to-batch feedstock variability. Therefore, this report focuses on coupling CALPHAD calculations with data mining and visualization to aid the development of compositional specifications for stainless steel 316, an important alloy for nuclear applications and suitable for AM. This work reports that δ-ferrite formation has a stronger dependence on the amount of nickel in the alloy despite nickel being an austenite stabilizer. These findings show the need for exercising a tighter control on the amount of nickel in the alloy compared with the amount of chromium, which is a ferrite stabilizer.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Performance Testing of a Moving-Bed Gasifier Using Coal, Biomass, and Waste Plastic Blends with Washed and Unwashed Legacy Coals and Other Waste Fuels to Generate White Hydrogen

The objective of this effort, primarily funded by the United States Department of Energy (DOE), and led by the Electric Power Research Institute, Inc. (EPRI), with support by Hamilton Maurer International (HMI) and Sotacarbo S.p.A. (Sotacarbo), has been to qualify coal, biomass, and plastic waste blends based on performance testing of selected fuel pellet compositions in a pilot-scale updraft moving-bed (UDMB) gasifier. The testing provided relevant data to advance the commercial-scale design of the moving-bed gasifier to be able to successfully use these feedstocks to produce hydrogen. In particular, the effects of waste plastics on feedstock development (i.e., blending and pelletizing) and the resulting products (i.e., syngas compositions, organic condensate production, and ash characteristics) are the focus. The gasifier used for testing is HMI’s moving-bed gasifier, which has been proven capable of gasifying nearly all coal ranks. It has also shown the ability in prior testing work to gasify wood chips (biomass). However, mixtures of these fuels with plastic wastes have not been prepared and gasified together. The three feedstocks were densified and pelletized by California Pellet Mill (CPM) to meet the feedstock size required by Sotacarbo’s 30mm ID UDMB gasifier, under contract to HMI. The technical tasks and results from this two-year research project included: (1) Feed Procurement and Preparation: Nine different tri-fuel pellets were prepared from varying compositions of fresh mined PRB coal, corn stover biomass, and car fluff waste plastics. Tri-fuel pellets were produced by CPM and shipped to Sotacarbo’s test facility in Carbonia, Sardinia, Italy. (2) Test Plan Development: A test plan was created to define the test runs to be performed. The test plan detailed the different UDMB gasification tests to be performed in Sotacarbo’s 12-inch ID pilot scale gasifier, the process monitoring instrumentation used, and the extractive samples recovered for analysis of the total gasification process mass and energy balance. (3) Gasifier Testing: Nine different gasification runs were performed in the pilot-scale gasifier at Sotacarbo using nine different fuel feedstock compositions generated from varying mixtures of PRB coal, biomass, and plastic wastes. The testing generated performance data on gasification reaction efficiency and performance, yielding relevant data for models used to scale up the gasifier design. This task also included work to refurbish and reassemble the pilot gasifier at Sotacarbo and perform a baseline 100% PRB coal run. (4) Data Analysis and Reporting: Review of the data, determination of figures of merit, and interpretation of the results are reported in the project’s final report, published in March 2024. The results show that all tri-fuel pellets gasified well and maintained structural integrity throughout the gasification process. The syngas generated can be shifted to hydrogen by using commercial syngas shifting technologies. (5) High Fidelity computational fluid dynamics (CFD) Simulation: The National Energy Technology Laboratory (NETL) team performed CFD simulations of the UDMB gasifier for two of the tri-fuel pellets gasified in Sotacarbo’s pilot scale gasifier. The kinetic mechanisms for the pyrolysis of each constituent, PRB coal, corn stover biomass, and waste plastics are based on thermogravimetric analysis performed by Sotacarbo. The gasification model was validated by comparing the predicted syngas composition at the exit of the gasifier with the measured syngas composition. In addition, the reactor’s measured internal temperature profile agreed well with the predicted internal reactor temperature profile. These results validate that the model can be used to predict the performance of the updraft moving bed gasifier for different feedstocks and operating conditions. This paper summarizes the results of the completed work in which the pelletizing procedure was validated to ensure the viability of the tri-fuel pellets for the gasification runs performed at Sotacarbo’s 30 mm UDMB gasifier. The gasification performance data from this series of nine runs will enable modeling of a full-scale HMI industrial scale gasifier supporting both combined heat and power, and Hydrogen production from coal (both fresh mined and legacy) combined with various biomass and waste plastics. Additionally, plans and progress on a follow-up project, being executed by the same project team, will be presented. In this project, a total of twenty (20) different feedstocks are being prepared from varying compositions of biomass (both woody biomass and corn stover) with a mixture of legacy coal waste, plastic waste, and refuse-derived fuel (RDF). The testing will provide information on gasification reaction efficiency/performance, yielding relevant data for models used to scale up the gasifier design to 50 megawatt electric (MWe) (equivalent hydrogen production). Tests will also be performed on a bench-scale fluidized-bed gasifier for comparison purposes. The results of this testing will be used to specify the range of feedstock blends that can be successfully gasified as well as quantify gasifier outputs based on specific blends.

08 HYDROGEN↗
DOE OSTI2024

Critical Assessment of Electronic Structure Descriptors for Predicting Perovskite Catalytic Properties

The discovery and design of materials which can efficiently catalyze the oxygen reduction and evolution reactions at reduced temperatures is important for facilitating the widespread adoption of fuel cell and electrolyzer technologies. Numerous studies have produced correlations between catalytic properties, such as oxygen surface exchange or electrode area specific resistance (ASR), and properties of the catalyst material. However, correlations have historically been limited in scope (e.g., using only a few materials or at a single temperature) and it has been difficult to provide detailed assessments of their robustness. Here, in this study, we assess the ability of the O p-band center electronic structure descriptor, obtained from density functional theory (DFT) calculations, to correlate with oxygen surface exchange rates, diffusivities, and area specific resistances for a large database of perovskite oxide catalytic properties. By data mining the literature, we obtain 747 catalytic property value data points spanning 299 unique perovskite compositions from 313 studies. We assess linear correlations of each property with the O p-band center and find generally modest correlations that are qualitatively useful (prediction mean absolute errors of about 0.5 log units are typical), where the correlations are improved at higher temperatures (e.g., 800 °C vs. 500 °C) and significantly improve when considering fits to the subset of materials which have multiple independent measurements. These findings suggest that the spread of property data is significantly influenced by experimental uncertainty, and subsequent measurements of additional materials will likely improve the O p-band center correlations.

30 DIRECT ENERGY CONVERSION↗
NASA NTRS2005

Intelligent Systems: Terrestrial Observation and Prediction Using Remote Sensing Data

NASA has made science and technology investments to better utilize its large space-borne remote sensing data holdings of the Earth. With the launch of Terra, NASA created a data-rich environment where the challenge is to fully utilize the data collected from EOS however, despite unprecedented amounts of observed data, there is a need for increasing the frequency, resolution, and diversity of observations. Current terrestrial models that use remote sensing data were constructed in a relatively data and compute limited era and do not take full advantage of on-line learning methods and assimilation techniques that can exploit these data. NASA has invested in visualization, data mining and knowledge discovery methods which have facilitated data exploitation, but these methods are insufficient for improving Earth science models that have extensive background knowledge nor do these methods refine understanding of complex processes. Investing in interdisciplinary teams that include computational scientists can lead to new models and systems for online operation and analysis of data that can autonomously improve in prediction skill over time.

Coughlan, Joseph C.↗
DOE OSTI2022

Selective recovery of critical materials in zero-liquid discharge supercritical water desalination

Zero-liquid discharge desalination techniques are being actively studied as alternative means to produce drinkable water and recover valuable resources without polluting the environment. Supercritical water desalination is one of such alternatives that can overcome the technical and environmental challenges in standard desalination techniques. In addition to these attractive features, this work explores the possibility of utilizing supercritical water desalination for the selective recovery of strategic (critical) materials as co-products. Here, to validate the technical and economic feasibility of the process, we prepared model brine solutions that consist of sodium, neodymium, and different anions and conducted a series of desalination experiments. The results were analyzed experimentally and theoretically and were utilized to evaluate the economic feasibility of the process. When a few tens or hundreds of parts-per-million critical materials are dissolved in the feed, the proposed method becomes more cost-effective in producing critical materials than existing technologies. In addition, it does not discharge any concentrated contaminants while producing drinkable water. These results suggest that supercritical water desalination can recover critical materials while producing freshwater in an economically feasible fashion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

T-FSM: A Scalable Distributed Task-Based System for Frequent Subgraph Pattern Mining from a Big Graph

Finding frequent subgraph patterns in a big graph is an important problem with many applications such as classifying chemical compounds and building indexes to speed up graph queries. Since this problem is NP-hard, some recent parallel and distributed systems have been developed to accelerate the mining. However, they often have a huge memory cost, very long running time, suboptimal load balancing, poor scale-out capability, and possibly inaccurate results. In this article, we propose an efficient system called T-FSM for parallel mining of frequent subgraph patterns in a big graph. T-FSM supports a new anti-monotonic frequentness measure called Fraction-Score, which is more accurate than the widely used MNI measure. The execution engine of T-FSM supports both intra-machine parallelism and inter-machine parallelism. For intra-machine parallelism, T-FSM adopts a novel task-based execution model to ensure high multithreading concurrency, bounded memory consumption, and effective load balancing. For inter-machine parallelism, T-FSM ensures good scale-out performance with a lightweight pattern rebalancing approach that reduces workload skewness of pattern evaluations among machines. To avoid recomputing the contexts for migrated patterns, we design a novel context cache table to support concurrent and asynchronous requesting and caching of remote context data, which can timely evict and garbage collect used pattern contexts that are no longer needed to keep memory consumption bounded. Extensive experiments show that T-FSM is orders of magnitude faster than existing state-of-the-art parallel systems (more than 10×, 51×, 131×, 55× speedup over ScaleMine, DistGraph, Pangolin and Peregrine, respectively) and distributed systems (more than 42× and 88× over ScaleMine and DistGraph, respectively) for frequent subgraph pattern mining, and it scales out satisfactorily to 512 CPU cores on the Polaris supercomputer at Argonne National Laboratory.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2014

Solar System Exploration Augmented by Lunar and Outer Planet Resource Utilization: Historical Perspectives and Future Possibilities

Establishing a lunar presence and creating an industrial capability on the Moon may lead to important new discoveries for all of human kind. Historical studies of lunar exploration, in-situ resource utilization (ISRU) and industrialization all point to the vast resources on the Moon and its links to future human and robotic exploration. In the historical work, a broad range of technological innovations are described and analyzed. These studies depict program planning for future human missions throughout the solar system, lunar launched nuclear rockets, and future human settlements on the Moon, respectively. Updated analyses based on the visions presented are presented. While advanced propulsion systems were proposed in these historical studies, further investigation of nuclear options using high power nuclear thermal propulsion, nuclear surface power, as well as advanced chemical propulsion can significantly enhance these scenarios. Robotic and human outer planet exploration options are described in many detailed and extensive studies. Nuclear propulsion options for fast trips to the outer planets are discussed. To refuel such vehicles, atmospheric mining in the outer solar system has also been investigated as a means of fuel production for high energy propulsion and power. Fusion fuels such as helium 3 (3He) and hydrogen (H2) can be wrested from the atmospheres of Uranus and Neptune and either returned to Earth or used in-situ for energy production. Helium 3 and H2 (deuterium, etc.) were the primary gases of interest with hydrogen being the primary propellant for nuclear thermal solid core and gas core rocket-based atmospheric flight. A series of analyses have investigated resource capturing aspects of atmospheric mining in the outer solar system. These analyses included the gas capturing rate, storage options, and different methods of direct use of the captured gases. While capturing 3He, large amounts of hydrogen and 4He are produced. With these two additional gases, the potential for fueling small and large fleets of additional exploration and exploitation vehicles exists.

Palaszewski, Bryan↗