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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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At least 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Unraveling the hysteretic behavior at double cations-double halides perovskite - electrode interfaces

Despite over a decade of research on metal halide perovskites (MHPs) in the context of photovoltaic applications, understanding the nature of electronic and ionic processes associated with current-voltage (I-V) hysteretic behavior has been limited. Here, we explore the hysteretic behavior in (FAPbI 3 ) 0.85 (MAPbBr 3 ) 0.15 perovskite devices with lateral Cr electrodes by applying first order reversal curve (FORC) bias waveform in I-V, Kelvin probe force microscopy (KPFM) measurements, and in-situ chemical imaging by time-resolved time-of-flight secondary ion mass spectrometry (tr-ToF-SIMS). In dark, we reveal pronounced hysteretic behaviors of charge dynamics in the off-field by probing time-dependent current and contact potential difference (CPD). Under illumination, transient and hysteretic behaviors are significantly reduced. The tr-ToF-SIMS results reveal that the hysteretic behaviors are strongly associated with accumulation of Br- ions at the interfaces. In addition, the low mobility MA + ions result in transient behavior and contribute to the hysteretic phenomena. It was shown that Pb 2+ ions can be reduced at the interfaces due to electrochemical reactions with the electrode in the presence of charge injection and photogenerated charges. Furthermore, these hysteretic behaviors associated with charge dynamics, ion migration, and interfacial electrochemical reaction are critical to further improve the performance and stability of MHPs photovoltaics and optoelectronics.

42 ENGINEERING↗
DOE OSTI2023

Potassium jarosite seeding of soils decreases lead and arsenic bioaccessibility: A path toward concomitant remediation

Soils are common sources of metal(loid) contaminant exposure globally. Lead (Pb) and arsenic (As) are of paramount concern due to detrimental neurological and carcinogenic health effects, respectively. Pb and/or As contaminated soils require remediation, typically leading to excavation, a costly and environmentally damaging practice of removing soil to a central location (e.g., hazardous landfill) that may not be a viable option in low-income countries. Chemical remediation techniques may allow for in situ conversion of soil contaminants to phases that are not easily mobilized upon ingestion; however, effective chemical remediation options are limited. Here, we have successfully tested a soil remediation technology using potted soils that relies on converting soil Pb and As into jarosite-group minerals, such as plumbojarosite (PLJ) and beudantite, possessing exceptionally low bioaccessibility [i.e., solubility at gastric pH conditions (pH 1.5 to 3)]. Across all experiments conducted, all new treatment methods successfully promoted PLJ and/or beudantite conversion, resulting in a proportional decrease in Pb and As bioaccessibility. Increasing temperature resulted in increased conversion to jarosite-group minerals, but addition of potassium (K) jarosite was most critical to Pb and As bioaccessibility decreases. Our methods of K-jarosite treatment yielded <10% Pb and As bioaccessibility compared to unamended soil values of approximately 70% and 60%, respectively. In conclusion, the proposed treatment is a rare dual remediation option that effectively treats soil Pb and As such that potential exposure is considerably reduced. Research presented here lays the foundation for ongoing field application.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2022

Environmental Testing of the OVEN System for Lunar Water Extraction and Prospecting

Introduction: The presence of water ice in permanently shadowed regions on the lunar surface [1] may enable a sustained human presence on the Moon with minimal need for consumables. However, in order to develop a long term utilization plan that includes the usage of in-situ water we must first understand the abundance, stratigraphy and distribution of this re-source. Multiple space agencies currently have plans for lunar water prospecting missions. The Optimized Volatile Extraction Node (OVEN) was designed for water prospecting missions that require samples to be weighed, sealed, and heated as the means of determining water concentration. This method of water quantification necessitates a fair amount of automation, so a rigorous environmental test program was performed in order to build confidence in the performance of the OVEN design. The work presented here describes the OVEN environmental test program as well as ongoing efforts to improve on the design. Vibration: The OVEN participated in two rounds of random vibration tests. The first test was a stand-alone test performed at the Energy Systems Test Area of the Johnson Space Center. The second test was an integrated test with the mobile platform developed for the Resource Prospector project. The OVEN survived both tests without damage, but the tests did provide valuable lessons learned with regards to specific operations. Thermal Vacuum: The OVEN was successfully demonstrated at a temperature range of -50 to 75 C in a thermal vacuum chamber. The need to heat motor gearboxes at lower temperatures was predetermined so this test program was completed by implementing a method of gearbox heating that used the existing circuitry within the motors. Dust: A custom dynamometer was built in order to determine the torque required to move the various mechanisms within the OVEN at a range of temperatures. The OVEN system was coated with lunar dust simulant in order to determine mechanism torques under a worst-case operating condition. Sublimation: Sublimation losses within the OVEN were quantified through a series of test configurations, including an integrated test in a thermal vacuum chamber at Glenn Research Center [2]. Current Work: The OVEN subsystem is currently not a component of any existing prospecting missions, but work continues that will take the lessons learned from previous environmental tests and improve on the design in order to be considered for future prospecting opportunities. References: [1] Colaprete, A., Schultz, P., Heldmann, J., Wooden, D., Shirley, M., Ennico, K., ... & Sollitt, L. (2010). Detection of water in the LCROSS ejecta plume. science, 330(6003), 463-468. [2] Kleinhenz, J., Smith, J., Roush, T., Colaprete, A., Zacny, K., Paulsen, G., ... & Paz, A. (2018). Volatiles Loss from water bearing regolith simulant at Lunar Environments. In Earth and Space 2018: Engineering for Extreme Environments (pp. 454-466). Reston, VA: American Society of Civil Engineers.

A Paz↗
NASA NTRS2023

Usability Evaluation Technical Report: A Usability Evaluation of the Communication Tool Prototype Prepared in Adobe XD for High Density Vertiplex (HDV) Team

Purpose: As cities get more crowded, the roadway infrastructure cannot keep up with the travel demands. Aviation can be a solution. Organizations supporting NASA’s Urban Air Mobility (UAM) concept are conducting studies on feasible concepts of operations for the new air traffic management system required to implement UAM. NASA’s High Density Vertiplex (HDV) team conducts studies using both live flights and simulations. Significance: The goal of this study is to evaluate the effectiveness of a communication tool developed for this team to enhance team situation awareness. Specifically, the study aims to determine if the communication tool is effective in allowing NASA-Langley and NASA-Ames team members playing different roles to understand what others are doing so that completed steps can be communicated to the whole team. Methods: This study asks participants to conduct four distinct scenarios using an Adobe XD prototype. Participants included five members of the target audience, who each received up to 15 minutes of training on how to use the Adobe XD prototype. The participants were NASA-Ames or NASA-Langley researchers, developers or tech leads who had 0 to 15 years of experience. Their ages ranged from 20 to 40 years old, and they were of both genders. After training, each participant was asked to do 4 tasks of varying difficulty, using the prototype testbed. After each task they reported on task difficulty and after all tasks were completed they were asked to fill out the System Usability Survey (SUS). Performance will be assessed through task completion time and accuracy rating. Results: User perception was evaluated by the SUS which showed a mean score over the six participants of 84. All the participants were above the acceptable range which was 70 and nobody was in the marginal usability zone between 50 and 70. In addition, most of the participants did well in terms of time on task, success rate and task difficulty on all the tasks except for Task 3. Participants had two minutes to do the task correctly to succeed at the task, otherwise it was marked as a failure. The geomean for Task 1 for completion time was 22.20; Task 2 was 58.28; Task 3 was 84.68 and Task 4 was 19.61. In Task 3, three out of six people failed this task but all five scored this with an average score 4.2 out of 5 for self-rating on task difficulty.

human factors↗
NASA NTRSDate not supplied

Examining Performance and Usability of Situation Awareness Communication Tool for NASA's High Density Vertiplex (HDV) Team

Purpose: As cities get more crowded, the roadway infrastructure cannot keep up with the travel demands. Aviation can be a solution. Organizations supporting NASA’s Urban Air Mobility (UAM) concept are conducting studies on feasible concepts of operations for the new air traffic management system required to implement UAM. NASA’s High Density Vertiplex (HDV) team conducts studies using both live flights and simulations. Significance: The goal of this study is to evaluate the effectiveness of a communication tool developed for this team to enhance team situation awareness. Specifically, the study aims to determine if the communication tool is effective in allowing NASA-Langley and NASA-Ames team members playing different roles to understand what others are doing so that completed steps can be communicated to the whole team. Methods: This study asks participants to conduct four distinct scenarios using an Adobe XD prototype. Participants included five members of the target audience, who each received up to 15 minutes of training on how to use the Adobe XD prototype. The participants were NASA-Ames or NASA-Langley researchers, developers or tech leads who had 0 to 15 years of experience. Their ages ranged from 20 to 40 years old, and they were of both genders. After training, each participant was asked to do 4 tasks of varying difficulty, using the prototype testbed. After each task they reported on task difficulty and after all tasks were completed they were asked to fill out the System Usability Survey (SUS). Performance will be assessed through task completion time and accuracy rating. Results: User perception was evaluated by the SUS which showed a mean score over the six participants of 84. All the participants were above the acceptable range which was 70 and nobody was in the marginal usability zone between 50 and 70. In addition, most of the participants did well in terms of time on task, success rate and task difficulty on all the tasks except for Task 3. Participants had two minutes to do the task correctly to succeed at the task, otherwise it was marked as a failure. The geomean for Task 1 for completion time was 22.20; Task 2 was 58.28; Task 3 was 84.68 and Task 4 was 19.61. In Task 3, three out of six people failed this task but all five scored this with an average score 4.2 out of 5 for self-rating on task difficulty.

human factors↗
DOE OSTI2023

Chapter 10.02 - Neutron Scattering Studies of Materials for Hydrogen Storage

Hydrogen storage presents a significant barrier to the widespread adaptation of hydrogen as an energy source in mobile and stationary applications. The development of new candidate hydrogen storage materials is therefore an outstanding goal in the field of inorganic chemistry. Neutron scattering techniques - including diffraction, inelastic, and quasielastic scattering - are integral in investigating these materials. Here, we review some of the key studies of candidate hydrogen storage materials which have employed neutron scattering techniques. We begin with a brief discussion of hydrogen's current position in the global energy landscape. Next, we provide a brief description of the theory and practical aspects of the neutron scattering techniques germane to the study of hydrogen storage. Then we enumerate the neutron scattering studies of candidate hydrogen storage materials, including metal hydrides, chemical hydrides, and porous compounds. We focus on the studies which helped develop our understanding of hydrogen storage by revealing the underlying fundamental physics and chemistry of hydrogen sorption in these systems. Finally, we provide an outlook to the future of hydrogen storage research.

chemical hydrides↗
DOE OSTI2026

Urban wash-off of tire wear particles

Tire wear particles (TWPs) are an important class of microplastics due to their toxicity and abundance. Because most TWPs are generated on impervious road surfaces, urban wash-off is the critical first phase of waterborne transport from their zone of production to stormwater drainage. However, little is known about the driving factors behind their mobilization. In this study, we use a rainfall simulator to investigate how surface roughness, rainfall intensity, and surface slope affect wash-off behaviors of TWPs. We also analyze how the size and shape of mobilized TWPs change over the course of simulated storm events. We found that low surface roughness, high rainfall intensity (most significant factor), and low slope result in the most rapid conveyance of TWP load. On average, large particles (>1000 µm) travelled faster than small particles (<125 µm). Particle shape explained a very small amount of variance in TWP wash-off velocity but was found to be more important under higher surface roughness conditions. In addition to wash-off velocity, we found similar conditions controlled the percent mobilization of TWPs. Low surface roughness and high rainfall intensity resulting in higher TWP wash-off rates is consistent with mineral sediment wash-off behavior. Conversely, low surface slope and large particle size leading to faster conveyance is directly opposed to mineral sediment wash-off. Our findings suggest drag-dominated flow and that sufficient runoff depth is the most important parameter governing TWP wash-off. These findings are important first steps to understanding wash-off behaviors of TWPs and informing future modeling efforts and mitigation strategies.

13 HYDRO ENERGY↗
DOE OSTI2024

MetaPoL: Immersive VR based Indoor Patterns of Life (PoL) and Anomalies Data Generation for Insider Threat Modeling in Nuclear Security

Insider threats are perhaps the most serious challenges that nuclear and radiological security systems face. Insiders pose such a great threat due to their access, authority, and knowledge, granting them opportunities to bypass dedicated nuclear and radiological security elements. For example, in one of the latest major insider threat incidents to nuclear security, the Doel-4 nuclear powerplant in Belgium suffered a shutdown, the threat of nuclear materials diversion, and long-term loss of tens of millions of dollars. Seven years of investigation concluded that it was an inside job and attempted sabotage. In this regard, there is an immediate need for R&D and technology integration in the domain of modeling indoor Patterns-of-Life (PoL) and anomaly detection. This can be achieved by using datasets of facility users’ mobility and activity, which can support the design of algorithms for insider threat modeling and detection. However, due to classification, privacy, sensitivity, and safety protocols, such datasets from real physical nuclear reactor facilities are not only hard to share, but also not always feasible to deploy and collect. Aiming to find an alternate solution, our proposed demonstration work - MetaPoL, is the first-ever (for the application space) immersive VR (virtual reality) environment of a real-world secure facility and allows users to move-and-stay through the designed indoor physical layout and also encounter NPCs (non-player characters) that emulate other facility users. In the MetaPoL an interactive user performs realistic spatio-temporal movement, dwelling and activities using a Meta Quest Pro VR headset, and that generates high-frequency (in time) high-resolution (in space) indoor spatial-temporal datasets that are valuable for PoL modeling and anomaly detection research specifically for insider threat modeling and detection mission. Such generated realistic, rich in context, and mission specific datasets can boost AI/Machine Learning based research for modeling and detecting insider threats in nuclear security and nonproliferation.

Gunaratne, Chathika↗
NASA NTRSDate not supplied

Extending CF Conventions to Enhance Data FAIRness for Atmospheric Composition Observations

The Hierarchical Data Format (HDF) and Network Common Data Form (NetCDF) are data file formats created to aid users in the creation or use of scientific data. These file formats are useful for handling large data volumes and hosting extensive metadata as global, group, or variable attributes and are popular with the modeling community. HDF and NetCDF files are widely used with atmospheric remote sensing data and have been used to support measurements from numerous field campaigns, from satellite to aircraft or ground and mobile based measurements. The files from airborne field studies, however, vary greatly in terms of the file structure and the amount and content of their metadata. Information relevant to the file that can be useful to the user such as the data producer, location where data was taken, variable descriptions, or information about the instrument might not be included in the file. Recently, the Measurements of Aerosols, Clouds, and their Interactions for Earth System Models (MACIE) group started a grassroots effort to develop a CF-based template for the HDF and NetCDF files for field studies, with the aim of making the data products more interoperable and usable. This template seeks to make the files more compliant to Climate and Forecast (CF) metadata conventions and to standardize the file structure and the global and variable attributes. The template would help to ensure that HDF and NetCDF files contain adequate metadata to better support their use for research, e.g., the modeling community, and to enhance the usability and interoperability of data for research communities at large. The draft template has been applied to recent field studies for various instruments and their merge files in support of the Atmosphere Observing System (AOS) project. The details of the revised template are to be presented, as well as examples of the implementation of these requirements for merge files and lidar observation data files and issues revealed during the implementation process.

Sean Leavor↗
DOE OSTI2023

Evaluation of Torque-Dense Electric Machine Technology for Off-Highway Vehicle Electrification

Electrification of off-highway vehicles offers the benefits of improved energy efficiency, enhanced control, and reduction in greenhouse gas emissions. However, progress towards electrification has been limited by the low torque density (30 kNm/m 3 ) of conventional electric machines compared to mobile hydraulic machines (up to approximately 1000 kNm/m 3 ). This paper reviews emerging variants of electric machines that offer a step improvement in torque density and potential pathway to enable electrified off-highway vehicles. First, sizing approaches for electric and hydraulic machines are developed, and torque-dense electric machines reviewed in literature are compared to commercial hydraulic machines to identify design trends in terms of speed, torque density, and power density. Next, key metrics are identified for the electric machine, based on which the following four emerging electric machine variants that promise to improve torque density are reviewed: i) multi-harmonic machines injection, ii) combined radial-axial flux machines, iii) magnetic gears, and iv) magnetically-geared machines. Here, the findings from this review show that these new electric machines can achieve upwards of 300% improvement in electric machine torque density, with several designs exceeding 100 kNm/m 3 , making them worthy candidates for further research to bridge the torque density gap with hydraulic machines.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS1988

A Marineris Vallis sample site

Consideration is given to the choice of a Marineris Vallis canyon site in that it may offer the widest possible variety of martian units with a minimum amount of roving. Researchers support this in the classical comparison of Marineris Vallis with the Grand Canyon of the U.S.A. It is well-known to American geologists that most of the geological units in the U.S. may be found here in one section. Might not the Martian canyon offer a similar selection but only more so in view of its much greater size. A system whereby this sampling may be effected is proposed based on a combination of a skip with a wire-line core-barrel method. The final design will depend more on the completeness of the core to be taken as the entire section is that long that the weight of the core of the whole section may well be prohibitive for return to Earth unless several returns are envisaged. The wire-line is operated from a static head-gear in much the same way as an oil well implying a lander not needing mobility of any kind - a destinct advantage.

Bridger, C. S.↗
NASA NTRS2002

The Challenge of Planning and Execution for Spacecraft Mobile Robots

The need for spacecraft mobile robots continues to grow. These robots offer the potential to increase the capability, productivity, and duration of space missions while decreasing mission risk and cost. Spacecraft Mobile Robots (SMRs) can serve a number of functions inside and outside of spacecraft from simpler tasks, such as performing visual diagnostics and crew support, to more complex tasks, such as performing maintenance and in-situ construction. One of the predominant challenges to deploying SMRs is to reduce the need for direct operator interaction. Teleoperation is often not practical due to the communication latencies incurred because of the distances involved and in many cases a crewmember would directly perform a task rather than teleoperate a robot to do it. By integrating a mixed-initiative constraint-based planner with an executive that supports adjustably autonomous control, we intend to demonstrate the feasibility of autonomous SMRs by deploying one inside the International Space Station (ISS) and demonstrate in simulation one that operates outside of the ISS. This paper discusses the progress made at NASA towards this end, the challenges ahead, and concludes with an invitation to the research community to participate.

Dorais, Gregory A.↗
DOE OSTI2020

Xeric Tree Populations Exhibit Delayed Summer Depletion of Root Starch Relative to Mesic Counterparts

Research linking soil moisture availability to nonstructural carbohydrate (NSC) storage suggests greater NSC reserves promote survival under acute water stress, but little is known about how NSC allocation responds to long-term differences in water availabilty. We hypothesized populations experiencing chronic or frequent water stress shift carbon allocation to build greater NSC reserves for increased survival probability during drought relative to populations rarely experiencing water stress. Over a year, we measured soluble sugar and starch concentrations from branches, stems, and coarse roots of mature Pinus palustris trees at two sites differing in long-term soil moisture availability. Xeric and mesic populations exhibited a cycle of summer depletion-winter accumulation in root starch. Xeric populations reached a maximum root starch concentration approximately 1–2 months later than mesic populations, indicating delayed summer depletion. Xeric and mesic populations reached the same minimum root starch at similar times, suggesting extended winter accumulation for xeric populations. These results suggest seasonal mobilization from root starch is compressed into a shorter interval for xeric populations instead of consistently greater reserves as hypothesized. Seasonal trends differed little between xeric and mesic populations for starch and sugars, suggesting the importance of roots in seasonal carbon dynamics and the primacy of starch for storage. If roots are the primary organ for longterm storage, then our results suggest that whole-plant mobilization and allocation respond to chronic differences in water availability.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

A Lizard-inspired Tube Inspector (LTI) Robot

This final report summarizes the research findings of the current project. This project is a collaboration between New Mexico State University (NMSU) as a lead (Recipient) and Arizona State University (ASU) as a Co-Recipient. Tubular structures are common components of boilers and heat exchangers in power plants. Over time, these components may suffer corrosion, cracks, and stress-corrosion cracks in either the body or the welded connections. A single tube leakage can cause an outage of several weeks. Regular inspection is a key safety factor when ensuring that power plants are maintained in reliable, operational condition. This inspection, however, is challenging, time-consuming, and in many cases impossible due to accessibility issues and safety concerns. Recent developments in robotic-based inspection can offer a great solution. Hard-to-reach places can be inspected without overhauling the unit, saving time and cost. Although several robots have been designed and implemented successfully for inspecting power plant components, in particular tubular structures, their mobility and flexibility are limited. Most of these robots use wheels for mobility which reduces their maneuverability of these robots. Moreover, they usually use magnets to attach to tubes which will not work on tubes with non-ferromagnetic materials. These robots usually carry measurement tools for a particular non-destructive testing (NDT) method such as ultrasound testing (UT) that requires a couplant to perform a point-by-point (scanning) inspection of the tubular structure. In this project, we developed a versatile lizard-inspired tube inspector (LTI) robot with embedded inspection sensing components for tube inspection which removes the need for point-by-point scanning of tube surface for crack and corrosion detection. Inspired by a “lizard”, the novelty of the current project is the integration of couplant-free ultrasound sensing and transmission, advanced data-driven defect detection and imaging, and friction-based mechanical mobility components in a single robot to eliminate a need for smooth surfaces and simple geometry for mobility and scanning. The LTI robot could replace the wheel-based approach with friction-based mobility to significantly increase the flexibility and maneuverability of the robot. The LTI robot can get into a power plant unit, such as a boiler, from a small area allowing it to access a component of interest for inspection (e.g., move on OD, curved and flat surfaces, non-ferromagnetic or ferromagnetic materials, and tubes with rough surfaces and complex geometries). Additionally, an advanced data-driven method using ultrasound data was pioneered to allow the robot to detect defects in the entire area between the robot’s multi-functional mobility system (grippers). Integrating a couplant-free ultrasound sensing in the robot’s grippers as well as using advanced data-driven methods allowed the LTI to detect defects in the entire cross-section of a tube using its grippers when stationary and when mobile.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2021

A critical review of molybdenum sequestration mechanisms under euxinic conditions: Implications for the precision of molybdenum paleoredox proxies

The observed difference in molybdenum (Mo) mobility and isotopic fractionation under oxic versus euxinic (i.e., anoxic and sulfidic) aqueous conditions provides a sound operational basis for the use of Mo geochemical signatures in ancient sedimentary records to infer palaeoceanographic redox conditions. While Mo is known to exist predominantly as molybdate (MoO 4 2– ) in oxic waters and convert into thiomolybdate species (MoO x S 4-x 2– ) under euxinic conditions, the pathways that lead to Mo sequestration are highly debated. As mechanistic understanding of Mo sequestration is crucial for accurately reconstructing the chemistry of ancient oceans and constraining the timing and intensity of oxygenation events through Earth's history using Mo paleoproxies, we have closely examined the current proposed mechanisms for Mo sequestration across a wide range of euxinic conditions. Through compilation and comparison of such information, we aim to provide an integrated view of Mo sequestration processes, to identify the current controversies as well as the roots of such controversies, and importantly, to propose avenues for future research. Here, sequestration of Mo may occur through complexation with organic matter (OM), reactions with oxyhydroxide and sulfide mineral surfaces, incorporation into iron sulfide crystal structures, formation of Mo-sulfide, and cellular assimilation. However, several major questions remains unresolved, including whether OM complexation plays a significant role in overall sedimentary Mo accumulation, whether the reduction of Mo(VI) occurs during interaction with Fe-S clusters/precipitates and/or with OM, whether microbial enzymatic reduction of Mo(VI) is important in Mo sequestration, whether synergistic effects exist between the biological and abiotic processes in Mo sequestration, and whether differences in reactivity among the various thiomolybdate intermediate species and tetrathiomolybdate influence the Mo sequestration process. At the end of the review, the reliability of Mo paleoproxies is discussed and reevaluated.

58 GEOSCIENCES↗
DOE OSTI2022

MZA: A Data Conversion Tool to Facilitate Software Development and Artificial Intelligence Research in Multidimensional Mass Spectrometry

Modern mass spectrometry-based workflows employing hybrid instrumentation and orthogonal separations collect multidimensional data, potentially allowing deeper understanding in omics studies through adoption of artificial intelligence methods. However, the large volume of these rich data challenges existing data storage and access technologies, therefore precluding informatics advancements. Here we present MZA™ (pronounced m-za), the mass-to-charge (m/z) generic data storage and access tool designed to facilitate software development and artificial intelligence research in multidimensional mass spectrometry measurements. Composed by a data conversion tool and a simple file structure based on the HDF5 format, MZA provides easy, cross-platform and efficient programmatic access to raw MS-data, enabling fast development of new tools in data science programming languages such as Python and R. The software executable and example Python and R scripts are freely available at https://github.com/PNNL-m-q/mza.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Uranyl uptake into metal–organic frameworks: a detailed X-ray structural analysis

Metal–organic frameworks (MOF) are a subclass of porous framework materials that have been used for a wide variety of applications in sensing, catalysis, and remediation. Among these myriad applications is their remarkable ability to capture substances in a variety of environments ranging from benign to extreme. Among the most common and problematic substances found throughout the world's oceans and water supplies is [UO 2 ] 2+ , a common mobile ion of uranium, which is found both naturally and as a result of anthropogenic activities, leading to problematic environmental contamination. While some MOFs possess high capability for the uptake of [UO 2 ] 2+ , many more of the thousands of MOFs and their modifications that have been produced over the years have yet to be studied for their ability to uptake [UO 2 ] 2+ . However, studying the thousands of MOFs and their modifications presents an incredibly difficult task. As such, a way to narrow down the numbers seems imperative. In this work, we evaluate the binding behaviors as well as identify the specific binding sites of [UO 2 ] 2+ incorporated into six different Zr MOFs to elucidate specific features that improve [UO 2 ] 2+ uptake. In doing so, we also present a method for the determination and verification of these binding sites by Anomalous wide-angle X-ray scattering, X-ray fluorescence, and X-ray absorption spectroscopy. This research not only presents a way for future research into the uptake of [UO 2 ] 2+ into MOFs to be conducted but also a means to evaluate MOFs more generally for the uptake of other compounds to be applied for environmental remediation and improvement of ecosystems globally.

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

Expedition UT-GOM2-2 Methods

Methods used during the University of Texas (UT) Deepwater Hydrate Coring Expedition (UT-GOM2-2) include work done onboard the Helix Q4000 in the offshore Gulf of America (Gulf of Mexico), herein “the Gulf”, “dockside” in Salt Lake City, Utah, and some shore-based work in individual laboratories. The goal of this report is two-fold: to provide enough detail on the methods so they can be repeated by others; and to provide a reference document for the team to enhance cross-disciplinary understanding and knowledge. Methods include drilling operations, depth references and depth modification, downhole tool deployment, coring tool performance assessment, core processing, lithostratigraphy, biostratigraphy, as well as physical properties, including core logging and imaging, rock magnetism, dissolved methane concentration, hydrate saturation, microbiology, and geochemistry. An extensive amount of operational work and planning was required before mobilization of the expedition to permit, build mobile labs, and test downhole tools for deepwater drilling.

03 NATURAL GAS↗