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Techniques for Improving the Performance of Future EVA Maneuvering Systems

The Simplified Aid for EVA Rescue (SAFER) is a small propulsive backpack that was developed as an in-house effort at Johnson Space Center; it is a lightweight system which attaches to the underside of the Primary Life Support Subsystem (PLSS) backpack of the Extravehicular Mobility Unit (EMU). SAFER provides full six-axis control, as well as Automatic Attitude Hold (AAH), by means of a set of cold-gas nitrogen thrusters and a rate sensor-based control system. For compactness, a single hand controller is used, together with mode switching, to command all six axes. SAFER was successfully test-flown on the STS-64 mission in September 1994 as a Development Test Objective (DTO); development of an operational version is now proceeding. This version will be available for EVA self-rescue on the International Space Station and Mir, starting with the STS-86/Mir-7 mission in September 1997. The DTO SAFER was heavily instrumented, and produced in-flight data that was stored in a 12 MB computer memory on-board. This has allowed post-flight analysis to yield good estimates for the actual mass properties (moments and products of inertia and center of mass location) encountered on-orbit. By contrast, Manned Maneuvering Unit (MMU) post-flight results were generated mainly from analysis of video images, and so were not very accurate. The main goal of the research reported here was to use the detailed SAFER on-orbit mass properties data to optimize the design of future EVA maneuvering systems, with the aim being to improve flying qualities and/or reduce propellant consumption. The Automation, Robotics and Simulation Division Virtual Reality (VR) Laboratory proved to be a valuable research tool for such studies. A second objective of the grant was to generate an accurate dynamics model in support of the reflight of the DTO SAFER on STS-76/Mir-3. One complicating factor was the fact that a hand controller stowage box was added to the underside of SAFER on this flight; the position of this box was such that two of the SAFER jets plume it. A second complication was that the EVA astronaut will sometimes be transporting a massive experiment package. This will not only alter the overall mass properties significantly, but can itself also be plumed.

Williams, Trevor W.↗

Lidar and UAS Measurements of Winds for the NASA Advanced Air Mobility Mission

The envisioned future of Advanced Air Mobility involves low-altitude operation of a new class of air vehicles. The low altitudes of the flight paths would have these vehicles spending most of their operation in conditions where unpredictable wind and turbulence effects may occur. Wind measurements will hence be critical to ensure safe and efficient operations for AAM. Such wind measurement could be used as a monitoring system for warning of hazardous wind events, as data input to forecasting models, or as a research tool to understand wind effects in complex environments. To meet this need NASA is evaluating wind sensing technologies with a capability to probe the atmospheric boundary layer. Doppler lidar is a leading candidate ground-based sensor, as shown by the decades-long history of being an effective tool for many wind studies. However, there is a need to re-assess the Doppler wind lidars for the AAM application which involves evaluating wind effects as vehicles operate in and out of vertiports, notably regarding spatial resolution. Meeting the needs for spatial resolution may involve the use of dual-Doppler techniques, rather than just single Doppler lidar. The study was furthermore motivated by looking toward the future of AAM, in which the air vehicles involved can also provide wind measurements. Airborne wind measurements, obtained directly from vehicle-mounted anemometers or indirectly from vehicle navigation data, offer a means to compare remotely sensed wind lidar with in-situ measurements. The following sections report on results of wind measurements obtained using lidar and the small uninhabited aircraft systems (sUAS’s) operating in the same volume of air.

Adam Medina↗

SAM Code Development for Source Term Modeling in Fluoride-salt-cooled High-temperature Reactors

The SAM code is under development and supported by DOE-NE’s Nuclear Energy Advanced Modeling and Simulation program as a modern system-level modeling and simulation tool for advanced non-light water reactor safety analyses. These advanced reactor concepts incorporate novel and improved approaches to achieve safety and economic feasibility. Many concepts leverage higher operating temperatures for improved efficiency with a variety of coolants and structural materials to support those needs. Such design choices may also pose unique radiological source term risks. There are continuous efforts to incorporate new physics and phenomena relevant to advanced reactor concepts, including capabilities to enable system-level source term modeling. The Pebble-Bed Fluoride-salt-cooled High-temperature Reactor (PB-FHR) is a promising candidate among advanced nuclear reactor concepts with its improved passive safety characteristics and high thermal efficiency. In addition to past efforts to support the development and utilization of SAM for PB-FHR safety analysis, the species transport modeling capabilities in SAM have been extended to simulate source term phenomena in concepts like the PB-FHR. The PB-FHR concept utilizes pebble-form TRISO fuel and FLiBe salt coolant to provide robust barriers to the release of almost all fission products and radiological source terms. However, tritium poses a unique radiological risk due to its significant production from neutron interactions with 6 Li and 9 Be in the FLiBe as well as its high mobility at elevated temperatures where it can permeate through structural metals. Secondly, the use of graphite at elevated temperatures poses the risk of oxidation damage to any structural components or fuel pebbles that are exposed to accidental air ingress. This report summarizes progress made in modeling these phenomena in SAM, which leverages the system-level multi-physics thermal hydraulic simulation to support an effective engineering-scale source term modeling capability. A tritium transport model is developed to simulate the various transport pathways in FHR and MSR concepts and is presented through verification and validation examples as well as demonstrations simulating experimental test loops and reference plant FHR models. A graphite oxidation model is also introduced to calculate local oxidation rates and is presented with initial validation results.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Bubble Mass Transport Measurement in the Large-Scale Test Loops at Oak Ridge National Laboratory

Molten salts are complex fluids that incorporate multi-phase behavior depending on the chemistry and the physical properties of the entrained components. These components include the carrier salt, the actinide fuel, and fission, activation, and corrosion products, the concentrations of which depends on the burnup history of the salt. Radionuclide transport from the salt into the cover gas / off-gas system depends on volatility as predicted by thermochemistry, but data from the Molten Salt Reactor Experiment (MSRE) conducted in the late 1960s suggest that bubble formation and transport are also important. Anomalously high fractions of noble metals were found in the off-gas system and were attributed to transportation with parent salt aerosols and their association with rising noble gas bubbles. The prediction of such phenomena requires coupled neutronic, thermal hydraulic, and chemical equilibrium calculations, the framework of which is being developed within the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program supported by the US Department of Energy (DOE) Office of Nuclear Energy (NE). However, separate effects tests and models of experiments using tools such as SAM and Thermochimica can guide model developers through important processes. Conversely, model development guides the choice of experiments and systems to provide data that are relevant for validation. This report describes several experiments that tracked gas transport in molten salts, ranging from small-scale systems to large-scale loops. Gas transportation in a molten salt, LiCl-KCl, has been studied using the shadowgraph technique. Sensors such as residual gas analysis, Raman spectroscopy, and laser-induced breakdown spectroscopy have been tested for off-gas measurements. These data were used to interpret how the gases move through the upstream salt / cover gas and the interface between them. Differential pressure measurements were able to detect individual gas bubbles as they popped at the liquid–gas interface. Salt aerosols were collected on a cascade impactor. Their formation was also observed directly via the shadowgraph method, and most of these aerosols were launched ballistically into the cover gas. Fine mists could also be observed. Convection currents through the salt were visualized and can be used to calculate the thermophysical properties of the salt itself. The apparatuses described in this report and in a previous work (McFarlane et al. 2023) have been commissioned and are available for use in making further measurements of salt/surrogate fission product behavior. Novel approaches using neutron imaging are planned for the study of fluoride salts, which cannot be contained in quartz, so shadowgraph visualization is not available. Bubble transport in convective flow and in a slow-moving salt column are planned. The mobile laser-induced breakdown spectroscopy (LIBS) system is available for several applications, including iodine capture in a molten hydroxide scrubber, H2 transport though molten salts to complement Raman analysis, and online tracking of salt aerosol generation, transport, and deposition. This report summarizes the findings from FY24 and the plans for FY25. The work completes milestone M2AT-24OR0702013 of the DOE-NE Advanced Reactor Technology, Molten Salt Reactor Campaign, DOE-NE-5.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Preliminary Results Using Galvanic Vestibular Reduction as a Non-Pharmaceutical Tool for Motion Sickness Mitigation

Introduction: Alterations in vestibular sensory processing following G-transitions lead to motion sickness and spatial disorientation upon return to Earth’s gravity. The use of non-pharmaceutical mitigation for motion sickness has several potential advantages over drug treatment options. The purpose of this study was to validate a non-pharmaceutical tool using galvanic vestibular reduction (GVR) to mitigate G-transitional induced motion sickness and spatial disorientation. Methods: Using a repeated measures counter-balanced design, motion sickness and perception are obtained during Coriolis cross-coupling stimuli on a rotating chair across three GVR treatment interventions: throughout stimulus testing (prevention), following symptom onset (rescue), and placebo control. Subjects perform up to 10 sets of pitch head movements during constant rotation. For each set, head movement is cued every 10 seconds, alternating between pitch forward (chin resting to chest) and pitch backward (head upright) for a total of 7 forward and backward movements. During each head movement, subjects are asked to use a joystick to record the magnitude of their perceived rotation along all three axes. During the 2-minute pause between sets, motion sickness symptom scoring was obtained using the Pensacola Diagnostic Index and subject discomfort (0-20) ratings. Performance on a sensorimotor and cognitive test battery is measured during a fourth session to map changes in GVR level with functional performance. Results: Fifteen of 30 subjects have completed testing to date. Preliminary findings suggest GVR may be more effective in reducing symptoms in subjects who self-report less susceptibility on a pre-test motion sickness susceptibility questionnaire. Based on the joystick measures, GVR significantly reduces both the magnitude (mean 22% - 34%) and duration (mean 42% - 49%) of perceived roll and pitch sensation with head movements during constant rotation. It is important to note that comparable levels of GVR (up to 2.5mA) does not impair performance on a functional test battery including mobility and balance tasks. Discussion: Our preliminary findings suggest GVR may be useful in reducing disorienting roll and pitch illusions associated with Coriolis cross-coupling stimuli. While transfer to post-flight treatment will need to be validated, the potential advantages of our non-pharmaceutical countermeasure approach would be to provide rapid therapeutic effect while allowing continuous titration of GVR amplitude during recovery to maintain operational performance.

Gaurav Pradhan↗

Update on Rover Sequencing and Visualization Program

The Rover Sequencing and Visualization Program (RSVP) has been updated. RSVP was reported in Rover Sequencing and Visualization Program (NPO-30845), NASA Tech Briefs, Vol. 29, No. 4 (April 2005), page 38. To recapitulate: The Rover Sequencing and Visualization Program (RSVP) is the software tool to be used in the Mars Exploration Rover (MER) mission for planning rover operations and generating command sequences for accomplishing those operations. RSVP combines three-dimensional (3D) visualization for immersive exploration of the operations area, stereoscopic image display for high-resolution examination of the downlinked imagery, and a sophisticated command-sequence editing tool for analysis and completion of the sequences. RSVP is linked with actual flight code modules for operations rehearsal to provide feedback on the expected behavior of the rover prior to committing to a particular sequence. Playback tools allow for review of both rehearsed rover behavior and downlinked results of actual rover operations. These can be displayed simultaneously for comparison of rehearsed and actual activities for verification. The primary inputs to RSVP are downlink data products from the Operations Storage Server (OSS) and activity plans generated by the science team. The activity plans are high-level goals for the next day s activities. The downlink data products include imagery, terrain models, and telemetered engineering data on rover activities and state. The Rover Sequence Editor (RoSE) component of RSVP performs activity expansion to command sequences, command creation and editing with setting of command parameters, and viewing and management of rover resources. The HyperDrive component of RSVP performs 2D and 3D visualization of the rover s environment, graphical and animated review of rover predicted and telemetered state, and creation and editing of command sequences related to mobility and Instrument Deployment Device (robotic arm) operations. Additionally, RoSE and HyperDrive together evaluate command sequences for potential violations of flight and safety rules. The products of RSVP include command sequences for uplink that are stored in the Distributed Object Manager (DOM) and predicted rover state histories stored in the OSS for comparison and validation of downlinked telemetry. The majority of components comprising RSVP utilize the MER command and activity dictionaries to automatically customize the system for MER activities.

Cooper, Brian↗

M3SF-25LL010302052 - Radionuclide Interaction with Hydrothermally Altered Repository Materials

This progress report (Level 3 Milestone Number M3SF-25LL010302052) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Crystalline Host Rock Properties & Processes - LLNL Number SF-25LL01030205. Observed changes in radionuclide sorption after bentonite/clay heating have implications for radionuclide diffusive transport through engineered barriers and must be considered when designing waste disposal repositories. Recent research performed at Los Alamos National Laboratory (LANL) has provided key insights regarding the hydrothermal alteration behavior of bentonite backfill in the presence of repository materials (steel, concrete, etc.). We are examining how this mineral alteration affects retardation behavior of a suite of radionuclides of interest to repository performance assessment. Sorption experiments and data analysis for 233 U were initiated in FY24 following earlier experiments performed on 243 Am, 90 Sr, 137 Cs. In FY25, we completed the 233 U study and initiated and completed a study of 237 Np sorption. Below, we summarize the results and potential impacts of hydrothermal alteration on radionuclide retardation and assess the importance of this process to radionuclide migration from a GHRDC. We also use statistical tools (i.e. PCA) to help us determine the major drivers in affecting changes in measured Kd values induced by hydrothermal alteration. These experiments also allow us to test the predictive ability of our component additivity approach to surface complexation and ion exchange. Our guiding hypothesis is that a robust surface complexation/ion exchange model and associated database can effectively predict changes in radionuclide sorption behavior resulting from the hydrothermal alteration of mineralogy in a repository near field. In November 2024 the paper “Selenium interaction with iron minerals: Quantitative comparison of sorption and coprecipitation impacts on mobility” was published in Applied Geochemistry. A short update of results to date is presented below. In FY25, we also actively supported the DITUSC project, which is part of the EURADII initiative, as associate partners. We are executing the Migration2025 conference and support associated the NEA-TDB and Thermochimie workshops that will provide critical international engagements and develop consensus and synergy in thermodynamics as it relates to supporting the US nuclear waste repository program.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Effect of Polymer Topology on Microstructure, Segmental Dynamics, and Ionic Conductivity in PEO/PMMA-Based Solid Polymer Electrolytes

We report Poly(ethylene oxide) (PEO)-based solid polymer electrolytes (SPEs) have attracted much interest due to their high ionic conductivity resulting from inherently fast segmental dynamics and high salt solubility, yet they lack mechanical stability in their neat form. Blending PEO with another rigid, or high glass transition temperature, polymer is a versatile way to improve the mechanical stability; however, the ionic conductivity is strongly reduced due to slower segmental dynamics of highly interpenetrating linear polymer chains. In this work, we used model PEO/PMMA blend systems prepared with various well-defined PEO architectures (linear, stars, hyperbranched, and bottlebrushes) doped with lithium bis(trifluoromethane-sulfonyl)-imide (LiTFSI) and investigated, for the first time, the role of macromolecular architecture of PEO on crystallization, segmental dynamics, and ionic conductivity in the blends and electrolytes. The results suggest that room-temperature miscibility of these polymers can be dramatically extended by using nonlinear PEO in the blends instead of linear chains, which crystallize above 35 wt %. The broadband dielectric spectroscopy results revealed enhanced decoupling of PMMA and PEO segmental dynamics in compact branched architectures, which helps to achieve faster segmental motion of star PEO in glassy PMMA. This manifests as nearly three-fold higher ionic conductivity in these nonlinear blends compared to the conventional linear PEO/PMMA system. Regardless of the PEO architectures, the temperature dependence of ionic conductivity blends with PMMA and LiTFSI is well defined using the Vogel–Fulcher–Tammann mechanism, suggesting that ion transport is mainly affected by the segmental motion. The activation energy values decrease with the increasing ionic conductivity. Overall, our results show that macromolecular architecture can be a tool to decouple segmental dynamics and ion mobility to rationally design SPEs with improved performance.

36 MATERIALS SCIENCE↗

Chemometric modeling of power conversion efficiency of organic dyes in dye sensitized solar cells for the future renewable energy

The present study reports chemometric modeling of power conversion efficiency (PCE) of dye sensitized solar cells (DSSCs) using the biggest available data set till date which comprises around 1200 dyes covering 7 chemical classes. To extract the best structural features required for higher PCE, we have developed multiple partial least squares (PLS) quantitative structure-property relationship (QSPR) models for the Triphenylamine, Phenothiazine, Indoline, Porphyrin, Coumarin, Carbazole and Diphenylamine chemical classes using descriptors derived from the best subset selection method followed by selection of best five models in each dataset based on the Mean Absolute Error (MAE) values. The models were validated both internally and externally followed by the consensus predictions employing “Intelligent Consensus Predictor” tool to examine whether the quality of predictions can be improved with the “intelligent” selection of multiple PLS models. The quality of predictions for the respective external sets showed that the consensus models (CM) are better than the individual models (IM) in most of the cases. From the insights of the developed models, we concluded that attributes like a packed structure toward higher conductivity of electrons, auxiliary donor fragment of aromatic tertiary amines, number of thiophenes inducing the bathochromic shift and augmenting the absorption, presence of additional electron donors, enhancement of electron-donating abilities, number of non-aromatic conjugated C(sp 2 ) which helps as conjugation extension units to broaden the absorption and highly conjugated $π$-systems exert positive contributions to the PCE. On the contrary, features negatively contributing to PCE are the followings: fragments which lower the tendency of localized $π–π*$ transition, fragments related to larger volume and surface area of dyes along with hydrophobicity resulting in poor adhesion, fragment RC = N causing dye hydrolysis, steric hindrance for π electronic mobility, fragments enhancing polarity, etc. Finally, the identified features from the best QSPR model of the coumarin dataset was employed in designing of ten more efficient coumarin dyes (predicted %PCE ranging from 8.93 to 10.62) than the existing ones.

14 SOLAR ENERGY↗

Multi-modal Energy-optimal Trip Scheduling in Real-time (METS-R) for Transportation Hubs (Final Report)

This report summarizes the work performed under the award number EE0008524. The project develops the Multi-modal Energy-optimal Trip Scheduling in Real-time (METS-R) platform as the next-generation transportation solution based on autonomous electric vehicles (AEV) serving passenger trips from and to urban transportation hubs, to substantially reduce transportation energy consumption. Extensive data collection and analyses were first conducted to understand the demand patterns and energy consumption of hub-based on-road trips. Then, a data-driven framework that consists of an analytical module and a simulation module was proposed. For the analytical module, five planning + operation tools were developed to support the planning and energy-efficient operations of urban AEV services: the charging station planning that robotically allocates charging supplies based on the stationary charging demand distribution; the transit planning and demand adaptive scheduling model that efficiently generates\ candidate transit routes from hubs to other places and dynamically adjusts the transit time table to fit the current demand; the online energy-efficient routing that learns the energy-optimal paths from observations of link-level energy consumption in real-time; the hub-based ridesharing that matches trip requests together with account for the uncertainty of future trip demand and vehicle supply; and finally, the integrated demand prediction and anomaly detection pipeline that leverages the flight/train time table and support other planning/operation tools. To demonstrate the performance of these tools, a scalable high-performance agent-based simulator was built. We divided the urban space into multiple service zones where each zone was considered as an agent for passenger generation and vehicle charging. Two types of AEV agents were coded to model two types of mobility services: AEV taxi and AEV transit. For the AEV taxi, the team implemented the functions of pickup/drop-off passengers, energy-efficient routing, ridesharing, fleet rebalancing, and recharging. For the AEV bus, the team implemented the functions of demand-adaptive route scheduling, passenger boarding, and recharging. A high-performance computing framework was introduced to receive various profiling information (such as link energy updates, vehicle speed) from the simulator instances and communicate the operational commands back to the instances. The numerical experiments show that each of the proposed operational algorithms can reduce energy consumption and improve system efficiency. Furthermore, there exists the need to collectively consider multiple planning + operational strategies as multiple strategies can influence each other in terms of performance impacts. Recommendations for future work related to AEV planning and simulation are discussed.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Enabling Ultralow Volume Analysis with a High-Resolution Ion Mobility Mass Spectrometry Platform

Of all the molecules thought to exist in the universe, it is estimated that researchers only know the chemical structures of 5% of them. Identifying the chemical structures of the remaining 95% has proven extremely challenging because many molecules exhibit low abundance, are contained in small volumes (e.g., <10 nL), do not readily ionize, exhibit similar structures to other molecules, etc. No single analytical technique exists to definitively identify the structure of an unknown molecule, and thus multiple different molecular measurements are typically made (i.e., multi-modal approach). Ion mobility (IMS) and mass spectrometry (MS) are two key tools that researchers use to determine the chemical structures of unknown molecules, and recently high-resolution and ultrahigh resolution IMS-MS instruments have provided greater confidence than ever before. However, HR-IMS-MS instruments typically exhibit low ion utilization efficiency, meaning they require large amounts of sample for an analysis (e.g., >10 µL). Unfortunately, this limitation prohibits the analysis of small volume samples where many unknown molecules exist. Described herein are the efforts made to enable the analysis of ultralow volumes with an HR-IMS-MS platform. A new scanning technique, termed a ‘stuttered traveling wave scan’, was developed as a replacement for the dual-gated scanning technique and works by halting the traveling waves after allowing ions to separate and then repeatedly restarting and stopping the traveling waves to incrementally move ions from the SLIM to the Orbitrap. Ions were stored inside the SLIM while the TWs were stopped, allowing the Orbitrap to perform high-resolution mass analysis. When the Orbitrap was ready, the TWs were restarted for short periods of time (<10 ms) to move ions from the SLIM to the Orbitrap. It was discovered that lower TW amplitudes and speeds than used during IMS separation were required to produce IMS peaks with the highest signal intensities and best resolving powers. The stuttered TW scan was found to produce similar resolutions and signal intensities compared to the dual-gated scanning technique. A new IMS design possessing an intersecting ‘tee’ with a reversible traveling wave was also developed to improve ion utilization efficiency during cyclic operation, which is necessary when only a single IMS spectrum can be acquired, such as when analyzing ultralow volume samples. The new capabilities described in this report lay the groundwork for acquiring HR-IMS-MS spectra of ultralow volume biological samples, such as single cells, where HR-IMS-MS can help elucidate the structures of unknown compounds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

EVA Swab Kit: Tools and Techniques for Collecting Aseptic Samples from Crewed Space Missions

Introduction: When we send humans to search for life on other planets, we'll need to know what we brought with us versus what may already be there. To ensure our crewed spacecraft meet planetary protection requirements—and to protect our science from human contamination—we'll need to assess and verify whether micro-organisms may be leaking/venting from our spacesuits. This requires collecting samples under Extravehicular Activity (EVA) conditions. Detailed, systematic research on forward contamination from robotic spacecraft has been steadily progressing since the Viking missions, but systematic studies of contamination from space suits has not been conducted in many years. The modern EMU (Extravehicular Mobility Unit) suit used by NASA is designed to leak at rates as high as 100 cc/min. Before humans land on Mars there is a critical need to understand the types and quantities of microbes that could be introduced via space suits. The Human Forward Contamination Assessment team at NASA’s Johnson Space Center (JSC) has developed a prototype EVA swab tool [1,2,3,4] designed for use in space to sample cleaned and uncleaned space suits to determine the present day microbial load and eventually the rate of leakage. The ability to assess microbial leakage early in advanced space suit and life support system design cycles will help avoid costly hardware redesign later. Test Objectives: The primary objective of EMU testing was to characterize the type of micro-organisms typically found on or near selected suit pressure joints under suit differential pressure conditions. Most human-borne microbes can fit through a 0.5 to 1.0 µm gap. Knowing which joints are more likely to leak will inform hardware design decisions. Knowing which types of micro-organisms may leak from EVA suits provides a basis for subsequent studies to characterize the viability of those organisms under destination conditions, as well as how far they might spread through natural or human-influenced processes. That data, in turn, will inform exploration mission operations and hardware design. The secondary objective of testing was to evaluate the interface between a fully suited test subject and the EVA swab tool at vacuum. Bulky EVA suits can restrict movement and limit visibility through the helmet visor. Fully suited testing is important for identifying tool design issues prior to flight. At exploration destinations, such as Mars, suited crew may be required to periodically sample their suits as part of an environmental monitoring protocol. Suit Microbial Sampling Results: This report details results of microbial swabs collected from current flight suit configurations worn by crew members assigned to upcoming ISS expedition missions as well as swabs collected from prototype suits intended for use on the Orion spacecraft. These tests were intended to characterize the types of contaminants found on flight suits under current, typical handling conditions. No attempt was made to change suit handling procedures, provide additional sterilization, or to limit typical potential contaminant sources. Using culture based techniques, we cultivated 235 CFU (colony forming units) comprised of 26 bacterial species and one fungal species on the outside of the suits. The fungal species and 14 of the bacterial species were unique to the suit surfaces and were not detected in any of the background samples collected within the chambers. We sequenced 755,434 ribosomal fragments on all of the suit surfaces from swab samples. 557,016 of these sequences represent DNA that survived at least 4 hours at vacuum. These sequences formed 2,464 OTU's (Operational Taxonomic Units, 97% similarity) showing low diversity in the samples. The most abundant sequences that survived vacuum belong to the genera Staphyloccocus, Ralstona, Bacillus and Rhodobacter all of which are common to the human microbiome. [5] See Danko et al., (2021) for more complete details of these first analyses. Further analysis of EVA suit materials with respect to the efficacy of various cleaning protocols and engineered containment solutions is planned to inform suit design for NASA’s Artemis Moon to Mars program crew testing. Swab Tool Function Results: The kit was demonstrated for fit and function in suited subject vacuum tests to determine how well the tool worked as an aseptic microbial sampling device as well as to identify any design elements that could be upgraded for EVA task specific improvement. It was found that sample acquisition efficacy could be enhanced by redesign of the sample canister to end-effector interface. Several modifications of the sample caddy assemblies to optimize EVA safety and functionality were also identified. Consequently, fabrication of the redesigned sample canister to end-effector assembly interfaces and and the sample caddy assemblies are required. Fabrication of sixteen flight sample canister assemblies (8 per each of two EVA Swab Kits) and two sample caddy assemblies are in process to be followed by hardware testing and certification to produce two flight-certified EVA Swab Kits for transport to ISS no earlier than summer of 2022. Sampling Strategy: The International Space Station is an ideal testbed for systematic studies of contamination from crewed vehicles since it has been continuously occupied for 20 years and exposed to non-terrestrial conditions. We will sample the exterior of the ISS during EVA using a purpose-built swab tool capable of maintaining sterility while undergoing temperature changes from -151 to +121°C under hard vacuum. Prior to each EVA, the project team will work with ISS mission managers to identify precise sampling locations, which will vary by EVA based on the translation paths and worksites scheduled for that particular EVA. Ideally, translation path handrails and areas near ECLSS (Environmental Control and Life Support System) external vent openings on a spacecraft would be assessed. There are currently more than a dozen ECLSS external vents on the ISS. Some are connected to systems that vent waste products, while others are intended to equalize cabin pressure. As EVA opportunity allows, microbial samples from any of these external vents would provide a valuable data point, though some will be more useful than others. Four criteria have been identified to help prioritize sampling sites near vents: • EVA Accessibility: To minimize cost, it is desired to piggy-back onto a planned EVA. Therefore, the sampling location must be readily accessible by an EVA crew • Type of Vented Products: Vent products that have been in direct contact with crew, such as cabin air, are more likely to contain microorganisms than vent products associated with isolated systems, such as experiment module combustion products. • Mass of Vented Products: Higher-flow vents are more likely to contain detectible levels of microbial contaminants than lower-flow vents. • Local Environment: Sample locations with relatively benign local conditions, such as warm surfaces shielded from direct ultraviolet (UV) radiation exposure, may be more likely to support microbial growth than locations with harsher local environmental conditions. Because EVA accessibility is the most important criteria, the proposal team worked with an astronaut and flight controllers using the Dynamic Onboard Ubiquitous Graphics (DOUG) tool. The DOUG virtual environment allows an operator to “fly” around the current ISS vehicle configuration to assess EVA translation paths, attach points, and keep-out zones. While analysis on station or rapid return to Earth would be preferable, samples collected from the exterior of the ISS have already been exposed to temperature variations between -157 and +121 °C as well as hard vacuum. Therefore, they should be fairly stable and robust. We hypothesize that samples collected from the ISS exterior could be stored for up to 6 months at -80°C without degradation. Sample canisters will be returned to Earth while frozen at -80°C for analysis, and sterilized canisters can be re-flown back to ISS to support additional sampling opportunities Relevance to NASA Exploration Objectives: These data will allow us to identify new or improved methods, technologies, and procedures for spacecraft sterilization and leakage mitigation to minimize the amount of contamination introduced to the environment by human explorers. This work is funded by NASA research grant: NNH18ZDA001N-PPR References: [1] Bell, M.S. et al. (2015) LPS XLVI, Abst. #1832 [2] Rucker et al. (2018) 42nd COSPAR (PPP.3) [3] Bell, M.S. et al. (2019) Mars Extant Life Conference, Abst. #5096.[4] Bell, M.S. et al., (2020) 43rd COSPAR (BO.2).[5] Danko D, et.al.,(2021)Front.Microbiol.12:608478.

Mary Suzanne Bell↗

NASA Electric Vertical Takeoff and Landing (eVTOL) Aircraft Technology for Public Services – A White Paper

History has shown that our personal life is highly dependent on the technology that people have developed. A strategic scan of the aerospace environment at the beginning of the 21st century strongly suggests that the world might be approaching a new age of airpower—the era of electrified/hybrid aircraft propulsion. Undeniably, starting from the Montgolfier Brothers balloon flight in 1783, to the Wright Brothers piston engine flight in 1903, and the jet engine of the 1960s, or the space age of today, one can say that leaps in propulsion technology have marked the different ages of human flight. The technological advancements, brought at the beginning of 21st century by the revolution in data exchange, computational power, sensors, wireless communication, internet, and autonomy, contributed to the vision of this new age of propulsion we are approaching. Historically, conventional vertical takeoff and landing (VTOL) aircraft have been equipped with propulsion units relying on complex internal combustion machines (turbines, piston engines, for example), and complex mechanical arrangements (gearboxes, shafts, variable pitch propeller). By contrast, electric VTOL aircraft (eVTOL)1 rely on simpler propulsion units (electric motors and in some cases fixed-pitch propellers). This promotes redundancy and improves tolerance to failures, in turn improving safety. The use of simpler electric propulsion units should also allow significant acquisition and operating cost reductions. Whether full-electric (relying solely on batteries) or hybrid-electric (relying on a combination of batteries, fuel-powered engines, and generators.), eVTOLs are also expected to generate less noise and air pollution than conventional aircraft with similar payloads. According to the 2019 Annual Review of IATA (International Air Transport Association) [ref.1], due to an expected increase in air transport traffic by 5% every year and a doubling of air transport passenger numbers to 8.2 billion by 2037 significant challenges are posed to the aviation industry. Furthermore, this report does not factor in the expected demand for short-range (intra-city) air transportation, which is in development and yet to be operational. The increased demand to fly creates a responsibility to expand in a sustainable manner and an endeavor to develop more environmentally-friendly aircraft. eVTOL aircraft, either piloted or autonomous, is gathering considerable interest worldwide. Modern and novel full-electric or hybrid-electric eVTOL configurations enable a new paradigm shift in air transportation as the aviation industry remains committed to its goals of carbon-neutral growth from 2020 onwards and cutting CO2 emissions to half 2005 levels by 2050. While electric power has been used for decades, recent developments in mobile electric/hybrid propulsion coupled with advanced materials and autonomous systems may create the possibility to transition into the next age of air mobility propelled by electric/hybrid VTOL aircraft technology. Although eVTOL aircraft might seem like an incremental improvement or even a counterintuitive regression with regard to past VTOL development, it has in fact the potential to transform air mobility across a wide range of government applications. Previous transformations in aviation generated dramatic leaps in performance, but the cost was commensurate with performance, limiting quantity produced. This next age appears to take a different approach. Performance may not increase, but at this moment technology is poised for future urban mobility that will spawn commercial passenger drone services, that is, autonomous (pilotless) air taxis and thereby add a new dimension to the urban transportation mix of the future [ref. 2]. Advances in electric propulsion, autonomous flight technology, and 5G communication networks will enable this fast new-growing market to become a reality. It is now time to envision the introduction of electric/hybrid eVTOL aircraft for Public Services2. We believe that in the next decades eVTOL aircraft will have the potential to become an essential tool to Public Service agencies around the world in applications such as firefighting, public safety, search and rescue, disaster relief and law enforcement. This is due to several major factors. • First, with the increasing popularity of small, unmanned aircraft vehicles (UAVs) or drones, many companies today are focusing on the development of passenger UAVs designed to accommodate up to five passengers or equivalent cargo payload. Many such configurations are electric or hybrid-electric designs with VTOL capabilities. Several of these projects have started a flight test program and many more are expected to be in the experimental and development phase in 2020. Such revolutionary vehicles could be in commercial operations by 2030. These eVTOL systems could be ready for selected Public Services missions even sooner. • Second, although these advanced eVTOL vehicles under development still need access to fuel (hybrid) and/or electric charging capability, they can take off and land from almost anywhere. Therefore, such vehicles, both manned and unmanned can be successfully integrated for the critical missions of the Public Services with extra deployment flexibilities. • Third, advancement in electric propulsion systems in the automotive industry together with NASA’s leading efforts in electrification of aircraft propulsion systems, FAA’s ongoing active eVTOL certification programs, and EASA’s proposed framework for the certification of electric/hybrid small category VTOL aircraft in Europe [ref. 3] will help accelerate industry electric propulsion system development and integration. • Finally, eVTOL vehicles could be deployed for Public Services sooner than air taxi or other commercial applications, since Public Services missions may be more easily approved based on specific mission criteria, localized airworthiness authority for public-use aircraft3, and are normally operating under centralized airspace management and control by the theater command. Moreover, public perception and acceptance are generally less of a concern when operations save lives and benefit the wider community. The prioritized introduction of eVTOL aircraft in Public Services is ambitious, but we believe it is achievable in the coming decades if fundamental enablers (people and technologies) are engaged in defining the objectives and needs of these missions. The revolution that is currently taking place in eVTOL aircraft represents an unprecedented opportunity to develop a safer, more affordable, more available and more environmentally friendly future of vertical flight. To ensure that these novel aircraft meet the future expectations of Public Services, it is essential to take a collaborative and multi-disciplinary approach to their development, across engineering disciplines, policy-making, program management, business case development, manufacturing, and flight demonstrations. It should be noted that the term eVTOL (in the near term) used throughout this publication implies aircraft capable of transporting up to 5 persons which may or may not include a pilot if operated fully autonomously, assuming an average of 200 pounds (91 kg) per person or equivalent payload and a range up to 60 miles plus a suitable reserve. Hybrid or hydrogen powered eVTOLs would have greater range. For example, a “3-seat” eVTOL aircraft may only be able to carry two fully equipped firemen, and payload capacity is more relevant when used for the supply mission. Moreover, this paper concentrates on the “last-mile” solutions with a deployment time of no more than 6 hours. Although not specifically discussed in this document, it is understood that the future of Transformative Vertical Flight in general and Public Services, in particular, will also involve smaller UAVs that will undoubtedly play a crucial role in future aerial operations. For example, smaller unmanned aircraft may be used to dispatch medical supplies, portable filtration systems or perform the Search task of future Search and Rescue (SAR) operations. Close collaboration between the aircraft industry, the Civil Aviation Authorities (CAA), e.g., Federal Aviation Administration (FAA), European Aviation Safety Agency (EASA), Transport Canada Civil Aviation (TCCA) and the Department of Defense (DoD) certifiers, will help identify Public Services requirements, define expectations and limit development cost and timescales. Take the US Air Force Agility Prime as an example, the majority of the eVTOL application opportunities and mission elements identified are in line with the NASA TVF WG-4 objectives and use cases. Together, it forms a strong partnership to accelerate the development, certification, and practical deployment for public service missions. The US Air Force Agility Prime has been a collaboration partner on this white paper, and provided valuable input and recommendations. Most of the eVTOL public service mission elements discussed in this paper and additional use cases envisioned by the NASA TVF WG-4 team are shared by the Agility Prime program. The focus and efforts of the Agility Prime in product and system development, industry and government partnership, accelerated certifications as well as early test and deployment are totally in sync with the path forward recommended by this white paper. This kind of collaboration and partnership will help enable the practical use of the eVTOL for public service missions, benefit the eVTOL public acceptance, and accelerate the eVTOL industry revolution.

Johnny T. Doo↗

300_underground robot (final research report)

Recent advancements in mobile robotics have displayed impressive capabilities in traversing and accessing areas that are inaccessible to humans either due to the characteristics of the environment or potential hazards. Furthermore, these advancements within the field of mobile robotics, more specifically uncrewed ground vehicles (UGVs), give the ability to potentially survey, observe, and map these inaccessible areas for humans. However, one of the most challenging areas to implement this technology is underground environments. The main challenge with implementing this technology in underground environments is the dependence on either GPS or RF communication for UGVs to navigate properly. Therefore, in order to properly demonstrate the mapping capabilities of the UGV this challenge must be resolved. The overall goal of this study is to demonstrate the mapping capabilities of a UGV while addressing this challenge and documenting the implementation and testing phase of the robot. The proposed solution to this challenge is to implement a SLAM algorithm onto the main computational device of the UGV utilizing the Robot Operating System (ROS). The algorithm is the open-source software package Slam Toolbox developed by Steve Macenski. Furthermore, the sllidar_ros2 package from Slamtec will be used to gather the lidar data from an A3M1 2D lidar. A separate program will be created to gather odometry information for our UGV robot. All of these software packages will run together in a Docker environment. Through working on this project I have developed a better understanding of the world of robotics/autonomous systems, especially with applications such as navigation and mapping. Furthermore, through this project, I have been given exposure to how research is conducted within a DOE lab setting. As robotics/autonomous systems become more advanced it's important to pursue more avenues of research such as this project as it will ensure the development of our capabilities.

42 ENGINEERING↗

X-HAB 2020: AR Field Treks Summary and Conclusions

As part of the FY20 X-Hab Challenge, BLiSS sought to create an Augmented Reality (AR) toolkit to help with analog field trek operations under the supervision of the Solar System Exploration Research Virtual Institute (SSERVI). These treks are operational and technical demonstrations at space-like destinations on Earth to test current extra-vehicular activity (EVA) techniques. While BLiSS as an organization has experience studying operational tasks such as this, it has never developed AR software at this scale. For that reason, another team at the University was brought on to work in parallel. The Collaborative Lab for Advancing Work in Space (CLAWS) is a veteran group of the NASA Spacesuit User Interface Technologies for Students (SUITS) challenge in which Hololens displays for astronauts are created within a year. The operational and technological pairing was ideally suited for tackling this problem. The team divided its responsibilities so that BLiSS would handle the research required to shape the project. As this deliverable had an end user, it was decided that interviewing these field geologists and operations specialists would provide the best insight. These interviews paired with literature review would reveal niche applications for AR that remained within feasible bounds. These science-driven EVAs in unknown terrain require more flexible tools than the current generation of EVA assistants. Rather than focus on sequential instructions, there instead needs to be a broad toolkit that's only called upon in specific instances. This AR Toolkit for Lunar Astronauts and Scientists (ATLAS) became the development goal of the project: create a non-intrusive assembly of tools that could be accessed in AR on the field. The current ATLAS design makes use of a geospatially and temporally annotated eld note system called GeoNotes. This allows for data to be collected and coordinated in a way that's synchronized across time, space, and different users. A Mission Control Center (MCC) and Mobile Support Equipment (MSE) were all needed to transport the AR headset into the field with the user. A network infrastructure was designed and set up within the University to enable this functionality. The software is based on a Protocol-Module structure that allows for modular development of each capability. A Protocol Manager coordinates different protocols that make use of modules. Each module tackles a different individual task while the protocol puts each one to use. The protocol manager coordinates when these are called to be used. This software is hosted on a head-mounted display (HMD) with the MCC acting as support from afar. While the software would be unit-tested at each level and each hardware component verified, a final demonstration would serve to prove the system's capabilities: an analog field trek. The team would prepare to support a user in a remote location from the MCC back at the University. A local area near campus would be tested before going out to do sample field geology further away. This unfortunately became impossible with the arrival of COVID-19. Access to all of the facilities to complete the project as planned were shut down. Our team was scattered across the globe and forced to complete the rest virtually. Adjustments were made to produce a small virtual concept in Adobe XD in the meantime. Even digital surveys were created based on the NASA task-load index (TLX) originally intended for testing actual users. The goal shifted towards completing software and getting feedback on the user interfaces (UI) and user experiences (UX). This team has reformed in response to COVID and its focus has shifted to what can be done remotely. There is still an intention to finish the original deliverable described in this report. The work has been expanded beyond the original X-Hab challenge and has instead become its own research e ort to be continued afterwards. This report collects the processes and knowledge gained from a year of studying and working at this problem with two teams. It should preserve it for the time until the world returns to normal and work can resume. CLAWS will be taking over full responsibility from that point forward, eventually surpassing the original needs of the project. While this document captures the work done towards an eventual end, the CLAWS team has written their own proposal alongside it. It outlines a new future for ATLAS beyond X-Hab, BLiSS, and hopefully beyond COVID-19. This project began as a vague goal hoping to place a new technology into the unique setting of exploration science. The project has since comfortably taken root and will hopefully bloom over the next year.

Alex Sena↗

Multi-Scale Integrated Monitoring System for Enhancing Methane Emission Detection, Quantification & Prediction

This report details the progress and findings of a comprehensive study on reviewing existing solutions, identifying technology gaps, and formulating an “all-in-one” integrated strategy for developing the next-generation multiscale methane monitoring and modeling platform, conducted under grant number DE-FE0032292. Co-led by Dr. David Ebert, Dr. Binbin Weng, and Dr. Chenghao Wang at the University of Oklahoma, the project’s goal was to develop an integrated approach for building this engineering platform to detect, quantify, and mitigate methane emissions across various temporal scale, spatial scales, and sectors. The planning grant study began with an extensive review of various methane sensing and monitoring technologies and systems, surveying over 100 technology providers globally. This review revealed the prevalence of optical methods over chemical methods in commercially available sensors, with Non-Dispersive Infrared (NDIR), Tunable Diode Laser Absorption Spectroscopy (TDLAS), and Optical Gas Imaging (OGI) cameras being the most prevalent options. A trend towards more advanced optical techniques was observed, driven by increased regulatory focus and technological advancements. The technical evaluation of these sensing technologies provided crucial insights into their capabilities and limitations. The study examined emerging technologies such as Differential Absorption LiDAR (DIAL), which show promise for high-precision and long-range detection. The team then investigated the features and application bandwidth of various sensing platforms, including handheld, fixed/stationary, mobile, aerials, and spaceborne monitors. Pilot field studies were conducted to assess the capabilities of solutions for different emission scenarios. Field work with sensor deployments was conducted at three distinct site types: an oil & gas industry site, a cattle ranching operation, and a waste processing facility. The team also conducted a thorough review of methane flux inverse modeling approaches, focused on physically based methods. These approaches were categorized into simple, intermediate, and advanced methods. A realtime WRF-GHG (Weather Research and Forecasting-Greenhouse Gas) modeling system was developed and applied, incorporating multiple data sources to guide field experiments and inform methane plume detection. The project identified and analyzed numerous categories of methane data sources, including satellite measurements, ground-based sensors, and inventory databases. Key platforms examined include EDGAR, EPA GHGI, NASA TROPOMI, Carbon Mapper, and Climate TRACE, among others. The team proposed an architecture for a comprehensive methane monitoring platform. This system incorporates multi-source data acquisition, advanced data processing and assimilation, interactive visualization tools, and analytical capabilities for emissions forecasting and scenario analysis. The proposed platform aims to provide a user-friendly interface catering to various stakeholders, from researchers to policymakers. The architecture includes sophisticated data ingestion methods, a centralized data warehouse, and advanced analytical tools for data fusion and interpretation. To ensure the relevance and effectiveness of the proposed system, a comprehensive survey was conducted to gather stakeholder input on system requirements. Key findings include a strong need for integrating various data types and formats, a preference for real-time data updates and advanced visualization tools, and a demand for user-friendly interfaces catering to different expertise levels.

03 NATURAL GAS↗

2020 Exascale Computing Project Annual Meeting (Executive Summary Report)

The Exascale Computing Project (ECP) delivers specific applications, software products, and outcomes on DOE computing facilities. Integration across these elements for specific hardware technologies for exascale system instantiations is fundamental to ECP success. The outcome of the ECP is the delivery of a capable exascale computing ecosystem to provide breakthrough solutions addressing our most critical challenges in scientific discovery, energy assurance, economic competitiveness, and national security. This outcome is not a matter of ensuring more powerful computing systems. The ECP is designed to create more valuable and rapid insights from a wide variety of applications (“capable”), which requires a much higher level of inherent efficacy in all methods, software tools, and ECP-enabled computing technologies to be acquired by DOE laboratories (“ecosystem”). The ECP annual meeting provides a unique opportunity for the core technical expertise in the United States focused on achieving this next plateau of computational science and computing performance to engage in direct discussions on project execution. Face-to-face gatherings in technical communities like this are common and needed for the exchange of scientific ideas and technical performance. The ECP annual meeting stands apart from other technical conferences and meetings in the computing community as it is uniquely and solely focused on the execution of the ECP and the integration of technical activities leading to the creation of the exascale computing ecosystem for the future. The direct interaction of key critical technical staff, who are leaders in their respective fields, and the resulting give-and-take between software, applications, and hardware and the technical co-design therein, is unique and essential to the effective execution of the ECP. The first annual meeting was held in Knoxville, Tennessee, January 31 – February 2, 2017 and brought together, for the first time, a diverse collection of researchers from 16 DOE national laboratories as well as university computer and computational science researchers to discuss shared problems and joint solutions for the development of a capable exascale computing ecosystem. These interactions resulted in focused technical plans and an energized community centered on advances for ECP. The second annual meeting was held in Knoxville, Tennessee, February 5–9, 2018. It included 643 individual thought leaders and performers in application development, software research and deployment, and hardware research and integrators, all of whom are part of the multifaceted, billion dollar HPC community. This meeting provided a platform to discuss and disseminate numerous examples where researchers with common goals and synergistic solutions came together for the first time to deliver tangible results. Additionally, at the 2018 meeting, ECP researchers had the opportunity to digest all US HPC vendor R&D product roadmaps pointing to exascale – not only to learn how their research can play a role, but, more importantly, to influence those roadmaps to ensure successful delivery on DOE applications that will contribute to (if not solve) problems of national interest in national security, science, energy, and health, as well as growing security threats. The third annual meeting was held in Houston, Texas, January 14–17, 2019. With a 19% increase in the number of registrations (768 people), and the change in location, the third annual meeting was considered the most impactful of the three at the time. The new website provided a better platform for the dissemination of the content, the new venue as a meeting hotel instead of a conference center facilitated interactions and discussions after event hours, and the addition of an award-winning mobile event conference app (Whova) transformed dramatically the attendee experience at the event. This fourth annual meeting was held in Houston, Texas, February 3-7, 2020. This meeting had an increase in the number of attendees for a total of 824 people registered (782 attendees) and included numerous enhancements based on feedback and lessons learned from previous meetings, some of which are listed here: Improved quality of the sessions, their material and the whole program.; Had more industry participation and addition of external collaborators from overseas.; Published the full agenda earlier to better accommodate attendance and travel plans based on schedule.; Centralized all sessions in one venue.; Provided additional hotels and room blocks for the attendees.; Improved communication with the audience (links, material, directions, notifications, etc.) to go paperless.; Enhanced side meeting scheduling, management and user experience.; Made available additional space and tables for impromptu meetings and side discussions.; Improved IT and A/V solutions for speakers. In addition, our final survey captured the following points as opportunities for improvement in future meetings: consider a different meeting location that is more pedestrian friendly, reduce talks during working meals to allow more collaboration and informal time, adapt the agenda to acknowledge attendees from different timezones, consider recording some of the tutorials and/or sessions to share broadly with the HPC community, have a larger poster room, provide additional power strips, and improve the WiFi.

97 MATHEMATICS AND COMPUTING↗

Illuminating the pathways to carbon liberation: a systems approach to characterizing the consequential unknowns of carbon transformation and loss from thawing permafrost peatlands (Final Report)

The IsoGenie3 Project delivered new systems-level insights into carbon cycling in thawing permafrost landscapes, with an emphasis on methane and carbon dioxide emissions. From >200 samples from the site collected over a decade, co-analyzed for geochemistry and microbiology, the team recovered ~1,500 assembled microbial genomes and ~1,900 viral population genomes, revealing appreciable genetic novelty - from a new highly abundant bacterial phylum, to novel methane consumers and their activities, to rampant viral novelty. IsoGenie3 linked these organisms to carbon compound transformations (which define the cycling of organic matter in soils, and the loss of the greenhouse gases carbon dioxide and methane), and saw that the microbes at each stage of permafrost thaw had different genetic potential to degrade categories of compounds, expressed that genetic potential differently, and actually transformed carbon compounds into greenhouse gases in different ways. IsoGenie 3 identified that some of the thaw-stage differences were due to plant-microbiome relationships; the plant species across the thaw gradient contributed different carbon compounds into the soil, and hosted distinct microbiota (differing among parts of plants as well as species). Lastly, microbes in the saturated post-thaw conditions appeared likely to contribute to the mobilization and toxification of mercury released during thaw. In parallel with ongoing field sampling and analysis, hypotheses arising from field observations were tested via lab incubation experiments. When communities are taken out of their native habitats, they behave differently, and the team first rigorously quantified the magnitude of this effect on microbiome composition and functional capacity, organic matter composition, and gas production; overall the main system processes were maintained in the lab incubations under the conditions tested. Further, the microbial data could inform geochemical reaction network models of those processes. Then, the team ran experiments with additions of compounds, varying temperature, and “live” vs. “dead” peat (the latter having been gamma irradiated, with a few additional variants to control for methodological artifacts). From these, we (a) determined the importance of plant-derived soluble phenolic compounds in bogs’ extraordinary recalcitrance of organic matter, and carbon gas emissions skewed to carbon dioxide; (b) proposed an abiotic ‘tanning’ mechanism, which could contribute to Sphagnum’s inhibitory effect on anaerobic decomposition through alteration of N availability. IsoGenie3 illuminated longer-term and landscape-scale interactions of permafrost thaw and carbon cycling, advancing knowledge of the drivers of methane dynamics not only across in the permafrost-associated peatland (where hydrology and plant communities dictate microbiomes) but also their interconnected lakes (where sediment carbon quality and resident microbiota are determined by position within lake, and lake features). By leveraging observations of site methane dynamics extending well before this project, the team was able to construct a 44-year portrait of the interplay of permafrost thaw, hydrology, vegetation dynamics, and carbon gas emissions, and the doubling of the fully-thawed fens over this time. From the detailed study of this focal site, IsoGenie3 also aimed to improve model representation of these kinds of sites and processes. To improve predictions of methane transformations, we incorporated acetate and isotope dynamics into the ‘DNDC’ biogeochemistry model. In addition, recovered genomes were grouped into ‘functional groups’, i.e. the genomes that perform a specific function of interest, then used to parameterize maximum growth rate and optimum growth temperature (via signatures in their sequence composition) for the BioCrunch model. The BioCrunch model was then in turn used to test the impact of increasing functional resolution of the microbes, on the carbon gas emissions. Lastly for modeling, the ecosys model was parameterized from the microbial and other data, and used to evaluate drivers of e.g. change in methane emissions. Finally, this project also led to the development of a range of new methods and tools, a new metric of organic matter decomposability, as well as a graph-database solution to multidisciplinary data storage and querying. This project’s ongoing analyses at our focal site also contributed to broader advancements in understanding elements of genetic plasticity and methane metabolism, climate change microbiology and community assembly, global peatland geochemistry and Arctic lakes’ roles in climate feedbacks.

54 ENVIRONMENTAL SCIENCES↗