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All sources NASA NTRS DOE OSTI

DOE OSTI2022

Illuminating the Photophysics of Oxygen Atom Transfer in Rare Earth Metal-Organic Complexes

Industrial separations of rare earth metals are reliant on selectivity based on ionic radii, which are time, energy, and resource consuming.1 The unique and discontinuous manifold of energy states associated with the f-electron configurations of the rare earth ions2 offer an opportunity to overcome some of these limitations by incorporating light into the separation process. Here, we use transient absorption spectroscopy to understand the differences in mechanism of light-initiated oxygen atom transfer (OAT) in yttrium (Y) and dysprosium (Dy) rare earth complexes. These metal-organic complexes are functionalized with hexfluoroacetyl-acetonate (hfac) and 4-methylmorpholine-N-oxide (NMMO). After light absorption in the presence of triphenyl phosphine (TPP), the NMMO in the Y-NMMO complex is replaced by the TPPO OAT reaction product. Because the Dy f-electron manifold is accessible to the ligand excited states, while there are no accessible states associated with f-electrons for Y, there are significant differences in reactivity. Transient absorption spectroscopy (TAS) was used to monitor changes after 340 nm photoexcitation of Dy/Y-NMMO or the product complex Dy/Y-TPPO. TAS is a pump-probe technique where a white light probe pulse is delayed relative to a visible pump pulse, which photoexcites a sample. Differences between the ground and excited states are monitored over time. With TAS, we access time scales from 100 fs-400 us to determine the photophysics of the complexes of interest. Photoexcitation of Y-NMMO (Fig. 1A) creates a broad photoinduced absorption (PIA) that evolves into a sharp positive feature over 4.2 ps centered at 450 nm. A secondary feature centered at 550 nm grows in with a 200 ps time constant and remains through the 5 ns time window of our experiment. Control experiments for Y-TPPO reveal that the feature at 450 nm is due to internal dynamics of the hfac ligand, while the 550 nm shoulder is due to the presence of the NMMO. Comparing kinetics at 550 nm for Y-NMMO and Dy-NMMO (Fig. 1B) shows that while Y exhibits a distinct growth in the NMMO feature, the Dy decays almost completely within 5 ns. Control experiments with Dy-TPPO prove that the ligand excited states centered on the hfac ligand are deactivated via energy transfer to the Dy manifold within 200 ps. This deactivation leads to significant differences in OAT reactivity between Y and Dy.

CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS↗

DOE OSTI2024

Plant diversity and functional identity drive grassland rhizobacterial community responses after 15 years of CO 2 and nitrogen enrichment

Abstract Improved understanding of bacterial community responses to multiple environmental filters over long time periods is a fundamental step to develop mechanistic explanations of plant–bacterial interactions as environmental change progresses. This is the first study to examine responses of grassland root‐associated bacterial communities to 15 years of experimental manipulations of plant species richness, functional group and factorial enrichment of atmospheric CO 2 (eCO 2 ) and soil nitrogen (+N). Across the experiment, plant species richness was the strongest predictor of rhizobacterial community composition, followed by +N, with no observed effect of eCO 2 . Monocultures of C 3 and C 4 grasses and legumes all exhibited dissimilar rhizobacterial communities within and among those groups. Functional responses were also dependent on plant functional group, where N 2 ‐fixation genes, NO 3− ‐reducing genes and P‐solubilizing predicted gene abundances increased under resource‐enriched conditions for grasses, but generally declined for legumes. In diverse plots with 16 plant species, the interaction of eCO 2 +N altered rhizobacterial composition, while +N increased the predicted abundance of nitrogenase‐encoding genes, and eCO 2 +N increased the predicted abundance of bacterial P‐solubilizing genes. Synthesis : Our findings suggest that rhizobacterial community structure and function will be affected by important global environmental change factors such as eCO 2 , but these responses are primarily contingent on plant species richness and the selective influence of different plant functional groups.

Revillini, Daniel↗

DOE OSTI2025

A Portfolio Approach to Massively Parallel Bayesian Optimization

One way to reduce the time of conducting optimization studies is to evaluate designs in parallel rather than just one-at-a-time. For expensive-to-evaluate black-boxes, batch versions of Bayesian optimization have been proposed. They work by building a surrogate model of the black-box to simultaneously select multiple designs via an infill criterion. Still, despite the increased availability of computing resources that enable large-scale parallelism, the strategies that work for selecting a few tens of parallel designs for evaluations become limiting due to the complexity of selecting more designs. It is even more crucial when the black-box is noisy, necessitating more evaluations as well as repeating experiments. Here we propose a scalable strategy that can keep up with massive batching natively, focused on the exploration/exploitation trade-off and a portfolio allocation. We compare the approach with related methods on noisy functions, for mono and multi-objective optimization tasks. These experiments show orders of magnitude speed improvements over existing methods with similar or better performance.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1984

Geometric error analysis for shuttle imaging spectrometer experiment

The demand of more powerful tools for remote sensing and management of earth resources steadily increased over the last decade. With the recent advancement of area array detectors, high resolution multichannel imaging spectrometers can be realistically constructed. The error analysis study for the Shuttle Imaging Spectrometer Experiment system is documented for the purpose of providing information for design, tradeoff, and performance prediction. Error sources including the Shuttle attitude determination and control system, instrument pointing and misalignment, disturbances, ephemeris, Earth rotation, etc., were investigated. Geometric error mapping functions were developed, characterized, and illustrated extensively with tables and charts. Selected ground patterns and the corresponding image distortions were generated for direct visual inspection of how the various error sources affect the appearance of the ground object images.

Wang, S. J.↗

DOE OSTI2022

A portable fiber optic sensor for the luminescent sensing of cobalt ions using carbon dots

Cobalt is critical to energy-relevant technologies, and demand for cobalt will increase significantly with growing global adoption of renewables. However, supply chain stability is threatened by economic and geopolitical factors, incentivizing domestic cobalt production from alternative resources such as coal, coal utilization byproducts (e.g., ash, acid mine drainage) and electronic waste. Rapid, inexpensive, and portable characterization techniques are needed to reduce production costs associated with cobalt prospecting and process monitoring. Here, in this research, we develop a compact, portable fiber optic luminescent probe for cobalt using phosphorus and nitrogen co-doped carbon dots as the sensing material. The carbon dot emission overlaps well with the cobalt absorption band at ~510 nm, leading to a selective decrease in emission as a function of cobalt concentration. The system responds nearly instantly to the presence of cobalt, with detection limits of 0.7 and 3.5 ppm in water and pH 1.68 buffer, respectively, providing comparable performance to a commercial spectrometer at a significantly lower cost. Moreover, the sensor is selective for cobalt in the presence of 13 of the most common metal ions encountered in coal utilization byproducts and is responsive to cobalt when spiked into an acid mine drainage leachate sample, highlighting the sensor's potential for real-world deployment in challenging matrices. In addition, integrating the carbon dots with a filter paper substrate produced ‘test strip’ sensors that exhibited a selective and sensitive visual response to cobalt using a handheld UV lamp. Taken together, the sensing system represents a significant step forward in the development of low-cost practical sensors for high-value metals in complex streams.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Variation in Sphingomonas traits across habitats and phylogenetic clades

Whether microbes show habitat preferences is a fundamental question in microbial ecology. If different microbial lineages have distinct traits, those lineages may occur more frequently in habitats where their traits are advantageous. Sphingomonas is an ideal bacterial clade in which to investigate how habitat preference relates to traits because these bacteria inhabit diverse environments and hosts. Here we downloaded 440 publicly available Sphingomonas genomes, assigned them to habitats based on isolation source, and examined their phylogenetic relationships. We sought to address whether: (1) there is a relationship between Sphingomonas habitat and phylogeny, and (2) whether there is a phylogenetic correlation between key, genome-based traits and habitat preference. We hypothesized that Sphingomonas strains from similar habitats would cluster together in phylogenetic clades, and key traits that improve fitness in specific environments should correlate with habitat. Genome-based traits were categorized into the Y-A-S trait-based framework for high growth yield, resource acquisition, and stress tolerance. We selected 252 high quality genomes and constructed a phylogenetic tree with 12 well-defined clades based on an alignment of 404 core genes. Sphingomonas strains from the same habitat clustered together within the same clades, and strains within clades shared similar clusters of accessory genes. Additionally, key genome-based trait frequencies varied across habitats. We conclude that Sphingomonas gene content reflects habitat preference. This knowledge of how environment and host relate to phylogeny may also help with future functional predictions about Sphingomonas and facilitate applications in bioremediation.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1994

Vulnerability of manned spacecraft to crew loss from orbital debris penetration

Orbital debris growth threatens the survival of spacecraft systems from impact-induced failures. Whereas the probability of debris impact and spacecraft penetration may currently be calculated, another parameter of great interest to safety engineers is the probability that debris penetration will cause actual spacecraft or crew loss. Quantifying the likelihood of crew loss following a penetration allows spacecraft designers to identify those design features and crew operational protocols that offer the highest improvement in crew safety for available resources. Within this study, a manned spacecraft crew survivability (MSCSurv) computer model is developed that quantifies the conditional probability of losing one or more crew members, P(sub loss/pen), following the remote likelihood of an orbital debris penetration into an eight module space station. Contributions to P(sub loss/pen) are quantified from three significant penetration-induced hazards: pressure wall rupture (explosive decompression), fragment-induced injury, and 'slow' depressurization. Sensitivity analyses are performed using alternate assumptions for hazard-generating functions, crew vulnerability thresholds, and selected spacecraft design and crew operations parameters. These results are then used to recommend modifications to the spacecraft design and expected crew operations that quantitatively increase crew safety from orbital debris impacts.

Williamsen, J. E.↗

DOE OSTI2022

A flexible and scalable scheme for mixing computed formation energies from different levels of theory

Abstract Computational materials discovery efforts are enabled by large databases of properties derived from high-throughput density functional theory (DFT), which now contain millions of calculations at the generalized gradient approximation (GGA) level of theory. It is now feasible to carry out high-throughput calculations using more accurate methods, such as meta-GGA DFT; however recomputing an entire database with a higher-fidelity method would not effectively leverage the enormous investment of computational resources embodied in existing (GGA) calculations. Instead, we propose here a general procedure by which higher-fidelity, low-coverage calculations (e.g., meta-GGA calculations for selected chemical systems) can be combined with lower-fidelity, high-coverage calculations (e.g., an existing database of GGA calculations) in a robust and scalable manner. We then use legacy PBE(+ U ) GGA calculations and new r 2 SCAN meta-GGA calculations from the Materials Project database to demonstrate that our scheme improves solid and aqueous phase stability predictions, and discuss practical considerations for its implementation.

36 MATERIALS SCIENCE↗

NASA NTRS2017

Connecting Projects to Complete the In Situ Resource Utilization Paradigm

Terrain Identify specifics such as slope, rockiness, traction parameters Identify what part of ISRU needs each Physical Geotechnical Hardness, density, cohesion, etc. Identify what part of ISRU needs each (e.g., excavation needs to know hardness, density; soil processing needs to know density, cohesion; etc.)Mineral Identify specifics Identify what part of ISRU needs each Volatile Identify specifics Identify what part of ISRU needs each Atmosphere Identify specifics Identify what part of ISRU needs each Environment Identify specifics Identify what part of ISRU needs each Resource Characterization What: Develop an instrument suite to locate and evaluate the physical, mineral, and volatile resources at the lunar poles Neutron Spectrometer Near Infrared (IR) to locate subsurface hydrogen surface water Near IR for mineral identification Auger drill for sample removal down to 1 m Oven with Gas Chromatograph Mass Spectrometer to quantify volatiles present ISRU relevance: Water volatile resource characterization and subsurface material access removal Site Evaluation Resource Mapping What: Develop and utilize new data products and tools for evaluating potential exploration sites for selection and overlay mission data to map terrain, environment, and resource information e.g., New techniques applied to generate Digital Elevation Map (DEMs) at native scale of images (1mpxl)ISRU relevance: Resource mapping and estimation with terrain and environment information is needed for extraction planning Mission Planning and Operations What: Develop and utilize tools and procedures for planning mission operations and real time changes Planning tools include detailed engineering models (e.g., power and data) of surface segment systems allows evaluation of designs ISRU relevance: Allows for iterative engineering as a function of environment and hardware performance.

Paradigm↗

NASA NTRS1983

Experimental philosophy leading to a small scale digital data base of the conterminous United States for designing experiments with remotely sensed data

Research using satellite remotely sensed data, even within any single scientific discipline, often lacked a unifying principle or strategy with which to plan or integrate studies conducted over an area so large that exhaustive examination is infeasible, e.g., the U.S.A. However, such a series of studies would seem to be at the heart of what makes satellite remote sensing unique, that is the ability to select for study from among remotely sensed data sets distributed widely over the U.S., over time, where the resources do not exist to examine all of them. Using this philosophical underpinning and the concept of a unifying principle, an operational procedure for developing a sampling strategy and formal testable hypotheses was constructed. The procedure is applicable across disciplines, when the investigator restates the research question in symbolic form, i.e., quantifies it. The procedure is set within the statistical framework of general linear models. The dependent variable is any arbitrary function of remotely sensed data and the independent variables are values or levels of factors which represent regional climatic conditions and/or properties of the Earth's surface. These factors are operationally defined as maps from the U.S. National Atlas (U.S.G.S., 1970). Eighty-five maps from the National Atlas, representing climatic and surface attributes, were automated by point counting at an effective resolution of one observation every 17.6 km (11 miles) yielding 22,505 observations per map. The maps were registered to one another in a two step procedure producing a coarse, then fine scale registration. After registration, the maps were iteratively checked for errors using manual and automated procedures. The error free maps were annotated with identification and legend information and then stored as card images, one map to a file. A sampling design will be accomplished through a regionalization analysis of the National Atlas data base (presently being conducted). From this analysis a map of homogeneous regions of the U.S.A. will be created and samples (LANDSAT scenes) assigned by region.

Labovitz, M. L.↗

NASA NTRS1986

The effects of stimulus modality and task integrality: Predicting dual-task performance and workload from single-task levels

The influence of stimulus modality and task difficulty on workload and performance was investigated. The goal was to quantify the cost (in terms of response time and experienced workload) incurred when essentially serial task components shared common elements (e.g., the response to one initiated the other) which could be accomplished in parallel. The experimental tasks were based on the Fittsberg paradigm; the solution to a SternBERG-type memory task determines which of two identical FITTS targets are acquired. Previous research suggested that such functionally integrated dual tasks are performed with substantially less workload and faster response times than would be predicted by suming single-task components when both are presented in the same stimulus modality (visual). The physical integration of task elements was varied (although their functional relationship remained the same) to determine whether dual-task facilitation would persist if task components were presented in different sensory modalities. Again, it was found that the cost of performing the two-stage task was considerably less than the sum of component single-task levels when both were presented visually. Less facilitation was found when task elements were presented in different sensory modalities. These results suggest the importance of distinguishing between concurrent tasks that complete for limited resources from those that beneficially share common resources when selecting the stimulus modalities for information displays.

Hart, S. G.↗

DOE OSTI2023

Data-Driven Affinely Adjustable Robust Volt/VAr Control

Recent years have seen the increasing proliferation of distributed energy resources with intermittent power outputs, posing new challenges to the voltage management in distribution networks. To this end, this paper proposes a data-driven affinely adjustable robust Volt/VAr control (AARVVC) scheme, which modulates the smart inverter’s reactive power in an affine function of its active power, based on the voltage sensitivities with respect to real/reactive power injections. To achieve a fast and accurate estimation of voltage sensitivities, we propose a data-driven method based on deep neural network (DNN), together with a rule-based bus-selection process using the bidirectional search method. Our method only uses the operating statuses of selected buses as inputs to DNN, thus significantly improving the training efficiency and reducing information redundancy. Finally, a distributed consensus-based solution, based on the alternating direction method of multipliers (ADMM), for the AARVVC is applied to decide the inverter’s reactive power adjustment rule with respect to its active power. Only limited information exchange is required between each local agent and the central agent to obtain the slope of the reactive power adjustment rule, and there is no need for the central agent to solve any (sub)optimization problems. Finally, numerical results on the modified IEEE-123 bus system validate the effectiveness and superiority of the proposed data-driven AARVVC method.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS1972

Natural Resource Information System. Volume 1: Overall description

A prototype computer-based Natural Resource Information System was designed which could store, process, and display data of maximum usefulness to land management decision making. The system includes graphic input and display, the use of remote sensing as a data source, and it is useful at multiple management levels. A survey established current decision making processes and functions, information requirements, and data collection and processing procedures. The applications of remote sensing data and processing requirements were established. Processing software was constructed and a data base established using high-altitude imagery and map coverage of selected areas of SE Arizona. Finally a demonstration of system processing functions was conducted utilizing material from the data base.

Source record↗

NASA NTRS2006

Architecture for Control of the K9 Rover

Software featuring a multilevel architecture is used to control the hardware on the K9 Rover, which is a mobile robot used in research on robots for scientific exploration and autonomous operation in general. The software consists of five types of modules: Device Drivers - These modules, at the lowest level of the architecture, directly control motors, cameras, data buses, and other hardware devices. Resource Managers - Each of these modules controls several device drivers. Resource managers can be commanded by either a remote operator or the pilot or conditional-executive modules described below. Behaviors and Data Processors - These modules perform computations for such functions as planning paths, avoiding obstacles, visual tracking, and stereoscopy. These modules can be commanded only by the pilot. Pilot - The pilot receives a possibly complex command from the remote operator or the conditional executive, then decomposes the command into (1) more-specific commands to the resource managers and (2) requests for information from the behaviors and data processors. Conditional Executive - This highest-level module interprets a command plan sent by the remote operator, determines whether resources required for execution of the plan are available, monitors execution, and, if necessary, selects an alternate branch of the plan.

Bresina, John L.↗

NASA NTRSDate not supplied

Down-Selection of Four Common Habitat Variants

The Common Habitat is a large habitat developed as an alternative architecture study, not part of the current NASA baseline, that uses the SLS core stage liquid oxygen tank as its primary structure. It has a gravity-independent internal architecture, such that identical units can be used on the lunar surface, Mars surface, and in microgravity. In developing the habitat, two key architectural questions emerged. Should the internal layout use a vertical or horizontal orientation of the tank? Should the crew size be four or eight? This led to the design of four variants: a four-crew horizontal, four-crew vertical, eight-crew horizontal, and eight-crew vertical. The four-crew variants use a shortened version of the tank while the eight-crew variants use the entire tank. The primary consideration applied for down-selection is the crew experience living and working in the habitat, inclusive of crew productivity, well-being, and survivability. Based on this consideration, a series of seven assessments were performed to compare the variants. This analysis was performed as an unfunded, volunteer activity leveraging civil servants across multiple field centers, most with expertise working in various Artemis teams. Additionally, the evaluation was limited to the use of CAD models, images, and spreadsheet data, with no resources available for mockups or Virtual Reality. A logistics analysis developed a standard logistics module and then estimated how much stowage could be carried onboard each Common Habitat and how many logistics modules are required by each variant for a given mission duration. It also considered the amounts of water to be stored in each variant. A functional analysis identified and compared the living and working functions across the habitats, ranking them relative to each other. A crew time assessment first estimated the total crew time, building a weekly crew timeline for both four and eight-person crews. It then allocated time to activities linked to living and working functions, comparing how much time was available for each function in each variant. A science productivity assessment developed a relative metric using crew time, science stowage, and assumed rates of experiment consumables use to analytically compare the four variants. It also comparatively ranked the habitats with respect to a number of subjective parameters and a workstation acceptability rating. A maintenance capacity assessment identified and compared eleven generic maintenance capabilities across the variants and also ranked them for their predicted ability to complete twelve fabrication, maintenance, and repair scenarios. A contingency responsiveness analysis examined twelve serious in-flight contingencies. For each scenario, the number of crew needed to respond were predicted and acceptability of various aspects of contingency response were evaluated, comparing the variants against each other. Finally, in a habitability assessment, 120 habitability characteristics reflecting 13 major categories were evaluated for each habitat. These results were compared to identify the most acceptable habitat in each category. Ultimately, the data favored the horizontal orientation over the vertical and an eight-person crew over four. Implications of selecting this variant are discussed, including specific architectural challenges that result from the use of the full tank.

Habitability↗

DOE OSTI2020

The Plant Microbiome: From Ecology to Reductionism and Beyond

Methodological advances over the past two decades have propelled plant microbiome research, allowing the field to comprehensively test ideas proposed over a century ago and generate many new hypotheses. Studying the distribution of microbial taxa and genes across plant habitats has revealed the importance of various ecological and evolutionary forces shaping plant microbiota. In particular, selection imposed by plant habitats strongly shapes the diversity and composition of microbiota and leads to microbial adaptation associated with navigating the plant immune system and utilizing plant-derived resources. Reductionist approaches have demonstrated that the interaction between plant immunity and the plant microbiome is, in fact, bidirectional and that plants, microbiota, and the environment shape a complex chemical dialogue that collectively orchestrates the plantmicrobiome. Finally, the next stage in plant microbiome research will require the integration of ecological and reductionist approaches to establish a general understanding of the assembly and function in both natural and managed environments.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2005

Environmental Public Health Tracking: Health and Environment Linked for Information Exchange-Atlanta (HEXIX-Atlanta: A cooperative Program Between CDC and NASA for Development of an Environmental Public Health Tracking Network in the Atlanta Metropolitan Area

The Centers for Disease Control and Prevention (CDC) is coordinating HELIX- Atlanta to provide information regarding the five-county Metropolitan Atlanta Area (Clayton, Cobb, DeKalb, Fulton, and Gwinett) via a network of integrated environmental monitoring and public health data systems so that all sectors can take action to prevent and control environmentally related health effects. The HELIX-Atlanta Network is a tool to access interoperable information systems with optional information technology linkage functionality driven by scientific rationale. HELIX-Atlanta is a collaborative effort with local, state, federal, and academic partners, including the NASA Marshall Space Flight Center. The HELIX-Atlanta Partners identified the following HELIX-Atlanta initial focus areas: childhood lead poisoning, short-latency cancers, developmental disabilities, birth defects, vital records, respiratory health, age of housing, remote sensing data, and environmental monitoring, HELIX-Atlanta Partners identified and evaluated information systems containing information on the above focus areas. The information system evaluations resulted in recommendations for what resources would be needed to interoperate selected information systems in compliance with the CDC Public Health Information Network (PHIN). This presentation will discuss the collaborative process of building a network that links health and environment data for information exchange, including NASA remote sensing data, for use in HELIX-Atlanta.

Quattrochi, Dale A.↗

NASA NTRS2015

Development of a Water Recovery System Resource Tracking Model

A simulation model has been developed to track water resources in an exploration vehicle using Regenerative Life Support (RLS) systems. The Resource Tracking Model (RTM) integrates the functions of all the vehicle components that affect the processing and recovery of water during simulated missions. The approach used in developing the RTM enables its use as part of a complete vehicle simulation for real time mission studies. Performance data for the components in the RTM is focused on water processing. The data provided to the model has been based on the most recent information available regarding the technology of the component. This paper will describe the process of defining the RLS system to be modeled, the way the modeling environment was selected, and how the model has been implemented. Results showing how the RLS components exchange water are provided in a set of test cases.

Chambliss, Joe↗