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DOE OSTI2021

Co-Optimization Scheme for Hybrid Electric Vehicles Powertrain and Exhaust Emission Control System Using Future Speed Prediction

Hybrid electric vehicles (HEVs) have been an effective solution for improved vehicle fuel efficiency and reduced emission pollution. In this paper, a co-optimization scheme is proposed to optimize fuel efficiency for HEVs. Here, the proposed optimization scheme uses obtainable future speed prediction as the basis to optimally tune control parameters for the existing powertrain control system. The ramp-up time of the catalyst temperature to reach its light-off level in the exhaust emission system is also considered as an additional optimization constraint to reduce emission. The Toyota Prius Hybrid Simulink model which is an integrated model for a powertrain and exhaust emission system is validated using real data from several real driving cycle scenarios. Then, to simplify the formulation of the proposed algorithm, the model for the optimization for powertrain and exhaust emission systems is represented by a set of equivalent neural network (NN) models learned using the data generated from the well-validated Toyota Prius Hybrid Simulink model. Using NN models, a co-optimization algorithm is established that provides an optimal tuning of some fuel-sensitive powertrain control parameters using future speed prediction, leading to a novel co-optimization algorithm, achieving on average a further 9.22% fuel savings for the Toyota Prius Hybrid Simulink model.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2025

Structural inversion asymmetry in epitaxial ultrathin films of Bi(111)/InSb(111)B

Bismuth (Bi) films hold potential for spintronic devices due to strong spin-orbit coupling. Understanding the growth, surface states, and interactions with the substrate is key to their functionalization. Large-area high-quality (111) Bi ultrathin films were grown on InSb (111)B substrates by molecular beam epitaxy (MBE). Strong film-substrate interactions epitaxially stabilize the (111) orientation and lead to nonequivalent interface potentials. Analysis of angle-resolved photoemission spectroscopy (ARPES) measurements, employed to characterize the evolution of the surface states with film thickness, indicate a crossing at the $\overline{M}$ point, suggesting a topologically trivial phase in the thin film. In conclusion, the results show the presence of interfacial bonds to the substrate breaks inversion symmetry, preventing the semimetal-to-semiconductor transition predicted for freestanding bismuth layers, highlighting the importance of controlled functionalization and surface passivation of two-dimensional materials.

Inbar, Hadass S. [Univ. of California, Santa Barba↗

DOE OSTI2021

Molten Salt Reactor Signatures and Modeling Study

Molten salt reactor (MSR) technologies, either liquid fueled and cooled or only liquid cooled, pose specific, unique challenges for safeguards of the special nuclear material during the operation, fueling, and maintenance of the reactor. MSRs are one type of Generation IV technologies being invested in and considered for U.S. domestic fabrication primarily for electricity and process heat production. These designs have generated growing commercial interest for several reasons, including high (≈40%) thermal efficiency, ease of fueling, improved use of uranium fuel, potential utilization of thorium fuel, and proposed inherent safety features. U.S. companies have several planned designs that differ in fuel, cooling, and neutron energy spectrum. Driven by commercial interest and the intent of licensing MSRs, the U.S. Nuclear Regulatory Commission (NRC) has developed a vision and strategy to accommodate non-light water reactors (LWR), which include MSRs (U.S. Nuclear Regulatory Commission 2019). In addition, the Department of Energy (DOE) through the Office of Nuclear Energy (NE) Office of Advanced Reactor Technologies (ART), …sponsors research, development and deployment (RD&D) activities through its Next Generation Nuclear Plant (NGNP), Advanced Reactor Concepts (ARC), and Advanced Small Modular Reactor (aSMR) programs to promote safety, technical, economical, and environmental advancements of innovative Generation IV nuclear energy technologies. Reactor types considering the use of salts, liquid metals, or gases for coolant fall under both ARC and aSMR. Therefore, Research Design & Development is being pursued by DOE-NE through national laboratories, universities, and international and industrial collaborations. Additionally, the U.S. is a member of the Gen IV International Forum (GIF). The GIF is a cooperative, multinational organization to guide and carry out research and development needed for the GEN IV reactor systems (Forum 2018). GIF evaluated numerous reactor concepts and down-selected to the six most feasible advanced reactor technologies: gas-cooled fast reactor (GFR), lead-cooled fast reactor (LFR), MSR, supercritical watercooled reactor (SCWR), sodium-cooled fast reactor (SFR), and very high temperature reactor (VHTR). In support of the growing interest domestically and internationally, the Materials Protection, Accounting, and Control Technologies (MPACT) campaign, under the DOE-NE Fuel Cycle Technologies (FCT) program, engages in R&D activities by developing advanced instrumentation and analysis for safeguards and security of modern, advanced nuclear fuel cycle (non-LWR) facilities. Because of the historic experience in the operation of the Aircraft Reactor Experiment (ARE) and the Molten Salt Reactor Experiment (MSRE) (Robertson, MSRE Design and Operations Report Part I 1965), Oak Ridge National Laboratory (ORNL) is heavily engaged in the various R&D activities through the DOE complex related to MSRs including national technical leadership of the DOE-NE MSR campaign. This report discusses and presents the outcomes of the FY19 MPACT MSR Safeguards task. The challenges presented by MSRs for nuclear material accountancy and control (NMAC) and associated safeguards will be investigated. The objective of this research is to explore and compile the safeguards requirements and identify measurement signatures through an initial high-level MSR design and develop complementary advanced simulation and modeling capabilities. A high-level ORNL-developed MSR design called the Molten Salt Demonstration Reactor (MSDR) (Bettis, Alexander and Watts 1972) was used as the target reactor design for this research. The MSDR model incorporates technology from the MSRE and the Molten Salt Breeder Reactor (Robertson, Conceptual Design of a Single-Fluid Molten-Salt Breeder Reactor 1971). But the MSDR is a 750 MWth graphite moderated liquid fueled (low-enriched uranium) MSR compared to the MSRE’s of 7.5 MWth. The focus of this report is to discuss the evaluation of novel signatures, correlations, and indicators to understand the applicability of current safeguards instrumentation to MSRs using the modeling results from the MSDR.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS2012

The Next Landsat Satellite: The Landsat Data Continuity Mission

The Landsat program is one of the longest running satellite programs for Earth observations from space. The program was initiated by the launch of Landsat 1 in 1972. Since then a series of six more Landsat satellites were launched and at least one of those satellites has been in operations at all times to continuously collect images of the global land surface. The Department of Interior (DOI) U.S. Geological Survey (USGS) preserves data collected by all of the Landsat satellites at their Earth Resources Observation and Science (EROS) Center in Sioux Falls, South Dakota. This 40-year data archive provides an unmatched record of the Earth's land surface that has undergone dramatic changes in recent decades due to the increasing pressure of a growing population and advancing technologies. EROS provides the ability for anyone to search the archive and order digital Landsat images over the internet for free. The Landsat data are a public resource for observing, characterizing, monitoring, trending, and predicting land use change over time providing an invaluable tool for those addressing the profound consequences of those changes to society. The most recent launch of a Landsat satellite occurred in 1999 when Landsat 7 was placed in orbit. While Landsat 7 remains in operation, the National Aeronautics and Space Administration (NASA) and the DOI/ USGS are building its successor satellite system currently called the Landsat Data Continuity Mission (LDCM). NASA has the lead for building and launching the satellite that will carry two Earth-viewing instruments, the Operational Land Imager (OLI) and the Thermal Infrared Sensor (TIRS). The OLI will take images that measure the amount of sunlight reflected by the land surface at nine wavelengths of light with three of those wavelengths beyond the range of human vision. T1RS will collect coincident images that measure light emitted by the land surface as a function of surface temperature at two longer wavelengths well beyond the range of human vision. The DOI/USGS is developing the ground system that will command and control the LDCM satellite in orbit and manage the OLI and TIRS data transmitted by the satellite. DOI/USGS will thus operate the satellite and collect, archive, and distribute the image data as part of the EROS archive. DOI/USGS has committed to renaming LDCM as Landsat 8 following launch. By either name the satellite and its sensors will extend the 40-year archive with images sufficiently consistent with data from earlier Landsat satellites to allow multi-decadal, broad-area studies of our dynamic landscapes. The next Landsat satellite and ground system are on schedule for a January, 2013 launch.

Rons, James R.↗

DOE OSTI2023

Energy-Efficient Driving in Connected Corridors via Minimum Principle Control: Vehicle-in-the-Loop Experimental Verification in Mixed Fleets

Connected and automated vehicles (CAVs) can plan and actuate control that explicitly considers performance, system safety, and actuation constraints in a manner more efficient than their human-driven counterparts. In particular, eco-driving is enabled through connected exchange of information from signalized corridors that share their upcoming signal phase and timing (SPaT). This is accomplished in the proposed control approach, which follows first principles to plan a free-flow acceleration-optimal trajectory through green traffic light intervals by Pontryagin's Minimum Principle in a feedback manner. Urban conditions are then imposed from exogeneous traffic comprised of a mixture of human-driven vehicles (HVs) - as well as other CAVs. As such, safe disturbance compensation is achieved by implementing a model predictive controller (MPC) to anticipate and avoid collisions by issuing braking commands as necessary. The control strategy is experimentally vetted through vehicle-in-the-loop (VIL) of a prototype CAV that is embedded into a virtual traffic corridor realized through microsimulation. Up to 36% fuel savings are measured with the proposed control approach over a human-modelled driver, and it was found connectivity in the automation approach improved fuel economy by up to 26% over automation without. Additionally, the passive energy benefits realizable for human drivers when driving behind downstream CAVs are measured, showing up to 22% fuel savings in a HV when driving behind a small penetration of connectivity-enabled automated vehicles.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2021

In-situ Investigations on Gold Nanoparticles Stabilization Mechanisms in Biological Environments Containing HSA

Nanoparticles (NPs) developments advance innovative biomedical applications. However, complex interactions and the low colloidal stability of NPs in biological media restrict their widespread utilization. The influence of NPs properties on the colloidal stability for gold NPs with 5 and 40 nm in diameter with two surface modifications, methoxy-polyethylene glycol-sulfhydryl (PEG) and citrate, in NaCl and human serum albumin (HSA) protein solution, is investigated. This study is based on small-angle X-ray scattering (SAXS) methods allowing the in-situ monitoring of interactions in physiological conditions. The PEG coating provides high colloidal stability for NPs of both sizes. For 5 nm NPs in NaCl solution, a stable 3D self-assembled body-centered cubic (BCC) arrangement is detected with an interparticle distance of 20.7 ± 0.1 nm. In protein solution, this distance increases to 21.9 ± 0.1 nm by protein penetration inside the ordered structure. For citrate-capped NPs, a different mechanism is observed. The protein particles attach to the NPs surfaces, and an appropriate concentration of proteins results in a stable suspension. Cryogenic transmission electron microscopy (Cryo-TEM), UV–visible spectroscopy, and dynamic light scattering (DLS) support the SAXS results. The findings will pave the way to design and synthesize NPs with controlled behaviors in biomedical applications.

36 MATERIALS SCIENCE↗

NASA NTRS2015

Biomaterials Out of Thin Air: in Situ, On-Demand Printing of Advanced Biocomposites

Upmass is the single most significant limitation of our current space mission capability. Although biomaterials and biocomposites have mass, strength, flexibility, and self-healing properties that could significantly reduce upmass, their use is limited by the following drawbacks: Expensive, specific production. Many biomaterials can only be produced as part of significant support ecosystem; Inaccessible functional customization. The grain of wood, the porosity of bone, and so on are an integral part of the materials' desired mechanical properties, but are not deterministic when the material is naturally grown; Limited compositions. Most biomaterials (unlike metal, plastic, etc.) cannot be easily combined or modified to produce new materials. This project builds on recent advances in: Synthetic biology. Libraries of standardized genetic parts which can be used for controlled cellular material production, delivery, and binding; 3D printing. Commercial off-the-shelf components which can be used to make of a pico- to nanoliter cell deposition system; Tissue engineering. Proven cell-compatible support hydrogels and scaffolds can be modified to bind the deposited biomaterials of interest. Objectives: Feasibility and benefit analysis. Two mission contexts span the concept's scope (see below); Proof-of-concept demonstration. A simple grid of two proteins, fluorescent for easy detection, to validate the core technology concept; Proposed implementations for follow-on work. Avenues for future work on each core component (host cell, production control, material delivery, material binding, etc.); Complementary studies exploration. A survey of other emerging areas (in situ resource utilization, protein engineering, etc.) with the potential to multiply our technology's impact. Potential Impacts: This application could dramatically expand manufacturing capabilities on Earth and in space: In situ resource utilization. A far greater range of materials and products will be available from the limited palette offered by in situ resource extraction techniques; Reduced equipment and material upmass for off-Earth habitats. Ready- to-use highly specialized construction materials (radiation hardened, compressive/tensile, light or dense) from an extremely low starting mass; Structured biomaterial production. New ready-to-use macro, micro, and molecular manufacturing techniques for traditional biomaterials such as wood, bone and shell; New and novel biocomposite creation. The ability to create completely novel material composites from any base material that cells can be engineered to produce. Suggested Mission Contexts: ISS part manufacturing. A 'minimal working example' making a finished biomaterial part aboard the International Space Station; A long-term Mars habitat. 'Cradle-to-grave' use at a hypothetical Mars habitat, covering everything from tools to construction materials. Alternate Abstract: Imagine being able to print anything from tools and composite building materials to food and human tissues. Imagine being on Mars with the ability to replace any broken part, whether it's a part of your spacesuit, your habitat, or your own body. We propose a technique that would allow just that. By printing 3D arrays of cells engineered to secrete the necessary materials, the abundant in situ resources of atmosphere and regolith become organic, inorganic, or organic-inorganic composite materials. Such materials include novel, biologically derived materials not previously possible to fabricate.

habitats↗

NASA NTRS2015

Biomaterials Out of Thin Air: in Situ, On-demand Printing of Advanced Biocomposites

habitats↗

DOE OSTI2020

Atomic-Scale Structural Mapping of Active Sites in Monolayer PGM-Free Catalysts by Low-Voltage 4D-STEM

Two-dimensional (2D) materials have attracted a large amount of attention in both basic and applied fields, and scanning transmission electron microscopy (STEM) is often uniquely well-suited for characterizing the atomic-scale structure of these materials [1-4]. As a result, STEM is poised to significantly impact progress on platinum group metal (PGM)-free catalysts, which are currently under intense development to enable low-cost, commercially viable hydrogen fuel cells [5]. While recent advancements have resulted in fuel cell performance comparable to Pt catalysts by some measures [6], cell durability remains a significant challenge, limiting practical applications [7]. Catalytically active sites in PGM-free materials are proposed to be FeN4 complexes embedded in a graphene lattice (Fig. 1b) within layered or other larger materials, but this is still under debate largely due to the range of potential actives sites predicted by computational methods and lack of methods for directly validating these models [5]. Fundamental insights into the atomic structure and resulting degradation pathways of proposed active sites are therefore needed to fully understand and control cell performance and durability [6].2D materials typically make ideal samples for STEM, but those within PGM-free catalysts present additional challenges since these materials are often defect-rich, with a high density of edges, dopant atoms, etc., which significantly increase susceptibility to beam damage at standard operating voltages. This makes analysis of potential FeN4 active sites particularly challenging, since a large proportion of Fe exists at edge sites where beam-induced atomic displacements can prohibit high-resolution structural characterization [6]. Conventional dark-field imaging compounds this problem by producing less signal for a given dose and being less sensitive to light elements than dose-efficient phase contrast imaging techniques such as those enabled by four-dimensional (4D)-STEM [8-10] (Fig. 1a). Consequently, active site structural analysis is often left to methods such as low-resolution imaging combined with quantum chemical calculations [6], which hinders accurate determination of reaction and degradation mechanisms.Here, we demonstrate direct atomic-scale structural mapping of FeN4 sites by performing low-voltage 4D-STEM on a model PGM-free catalyst system with many exposed monolayer regions. To accomplish this, we pair a 30 keV aberration-corrected probe with a fast pixelated detector that has optimal performance at low beam voltages [11]. This enables us to simultaneously image light and heavy elements with high signal-to-noise by center-of-mass analysis (Fig. 1c) while minimizing beam-induced atomic displacements at sensitive sites. The monolayer nature of these materials additionally allows for experimental validation by direct comparison with multislice simulations [12] of model structures (Fig. 1d-e). This work demonstrates how low-voltage 4D-STEM will provide new insights into the atomic-scale structure and degradation mechanisms of active sites in PGM-free catalysts, facilitating the development of low-cost hydrogen fuel cells and other energy conversion technologies in the future [13].

Zachman, Michael↗

DOE OSTI2021

Advanced Electron Microscopy of Nanophased Synthetic Polymers and Soft Complexes for Energy and Medicine Applications

After decades of developments, electron microscopy has become a powerful and irreplaceable tool in understanding the ionic, electrical, mechanical, chemical, and other functional performances of next-generation polymers and soft complexes. The recent progress in electron microscopy of nanostructured polymers and soft assemblies is important for applications in many different fields, including, but not limited to, mesoporous and nanoporous materials, absorbents, membranes, solid electrolytes, battery electrodes, ion- and electron-transporting materials, organic semiconductors, soft robotics, optoelectronic devices, biomass, soft magnetic materials, and pharmaceutical drug design. For synthetic polymers and soft complexes, there are four main characteristics that differentiate them from their inorganic or biomacromolecular counterparts in electron microscopy studies: (1) lower contrast, (2) abundance of light elements, (3) polydispersity or nanomorphological variations, and (4) large changes induced by electron beams. Since 2011, the Center for Nanophase Materials Sciences (CNMS) at Oak Ridge National Laboratory has been working with numerous facility users on nanostructured polymer composites, block copolymers, polymer brushes, conjugated molecules, organic–inorganic hybrid nanomaterials, organic–inorganic interfaces, organic crystals, and other soft complexes. This review crystalizes some of the essential challenges, successes, failures, and techniques during the process in the past ten years. It also presents some outlooks and future expectations on the basis of these works at the intersection of electron microscopy, soft matter, and artificial intelligence. Machine learning is expected to automate and facilitate image processing and information extraction of polymer and soft hybrid nanostructures in aspects such as dose-controlled imaging and structure analysis.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Bulky Cation-Modified Interfaces for Thermally Stable Lead Halide Perovskite Solar Cells

Charged conjugated organic molecules offer promising prospects for reducing nonradiative recombination at interfaces in perovskite solar cells, while protecting the active layer from moisture. However, several studies have shown that the heat induced diffusion of these cations leads to irreversible solar cell degradation. Passivation molecules for perovskite can reconstruct the film surface into lower-dimensional phases when exposed to thermal stress, impeding charge extraction and affecting the photoconversion efficiency (PCE) of devices. In this work, we study how molecular interactions between passivation molecules and 3D CsFAPbI 3 perovskite impact stability and charge extraction at the perovskite/hole transport layer interfaces. Two model π- conjugated molecules are studied: 2-([2,2′-bithiophen]-5-yl)ethan-1-aminium iodide (2TI) and 2-(3‴,4′-dimethyl-[2,2′:5′,2″:5″,2‴- quaterthiophen]-5-yl)ethan-1-ammonium iodide (4TmI). We demonstrate that the speed of surface layer reconstruction under thermal stress can be controlled by the cation size and correlate these structural changes with the solar cell performance and stability. Devices treated with 2TI and 4TmI achieve PCEs over 21% and maintain their performance under thermal stress. Our findings demonstrate that thermal stability in PSCs can be achieved via the design engineering of passivation agents, offering a blueprint for developing next-generation passivation molecules.

36 MATERIALS SCIENCE↗

NASA NTRSDate not supplied

Immersive Technologies for Human-in-the-Loop Lunar Surface Simulations

NASA, the National Aeronautics and Space Administration, continually seeks innovative solutions to enhance its operations, particularly in the realms of testing, evaluation, and training for future missions. Immersive technologies, such as virtual, augmented, and mixed reality have proven to be powerful tools for realistic, interactive, and engaging environments. This paper explores how the Simulation and Graphics Branch at NASA’s Johnson Space Center (JSC) leverages immersive technology, modern commercial rendering engines, and physics-based systems simulations to develop human-in-the-loop systems for humanity’s return to the Moon through the Artemis program. When NASA returns to the Moon, astronauts will travel to the Moon’s South Pole where lighting conditions will cause a more complex operational environment. Human-in-the-loop testing plays a crucial role in NASA's mission planning, spacecraft and space systems development, and evaluation of operational scenarios. The development of immersive environments such as a lunar rover mockup at a video wall enables engineers and astronauts to simulate and experience mission scenarios, integrated spacecraft systems, and operational procedures in a relevant environment before deployment. By integrating realistic virtual environments, immersive technology allows for the visualization and interaction with virtual spacecraft models, mission landscapes, and complex operational tasks. This approach helps identify potential design flaws, operational challenges, and safety considerations. It also provides valuable insights for risk reduction and helps improve mission efficiency and effectiveness. With advanced motion tracking systems and custom virtual environments data can be gathered and evaluated to help NASA refine training protocols, develop specialized training procedures and optimize human-robotic interactions for future space missions. Furthermore, immersive technology offers opportunities for future training initiatives at NASA. The Virtual Reality Laboratory at JSC has pioneered training with Virtual Reality (VR) since the Hubble Space Telescope repair missions in the early 1990’s. Extended Reality (XR) simulations enable astronauts to rehearse complex spacewalks, spacecraft maneuvers, and extravehicular activities in a safe and controlled environment. By replicating the physical and cognitive challenges of space missions, immersive training experiences enhance astronauts' situational awareness, decision-making abilities, and adaptability to unexpected scenarios. Additionally, immersive technology facilitates collaborative training, allowing geographically dispersed crew and mission control personnel to engage in synchronized simulations, fostering teamwork and effective communication. The adoption of immersive technology in NASA's testing, evaluation, and future training programs has yielded significant benefits. By incorporating human-in-the-loop testing for studies involving Extra Vehicular Activities (EVA), surface mobility and landing systems, NASA can identify and mitigate risks, optimize operational procedures, and enhance mission success. Ultimately, immersive training experiences can empower astronauts to better navigate the complexities of space missions, ensuring their safety, productivity, and success in the dynamic and challenging environments they will experience at the Lunar South Pole.

Simulation Modeling Virtual Reality Immersive Tech↗

NASA NTRSDate not supplied

Immersive Technologies for Human-in-the-Loop Lunar Surface Simulations

NASA, the National Aeronautics and Space Administration, continually seeks innovative solutions to enhance its operations, particularly in the realms of testing, evaluation, and training for future missions. Immersive technologies, such as virtual, augmented, and mixed reality have proven to be powerful tools for immersing users in realistic, interactive, and engaging environments. This paper explores how the Simulation and Graphics Branch at NASA’s Johnson Space Center (JSC) leverages immersive technology, modern commercial rendering engines, and physics-based systems simulations to develop human-in-the-loop systems for humanity’s return to the Moon through the Artemis program. When NASA returns to the Moon, astronauts will travel to the Moon’s South Pole where lighting conditions will cause a more complex operational environment. Human-in-the-loop simulations play a crucial role in NASA’s mission planning, spacecraft and space systems development, and evaluation of operational scenarios. The development of immersive environments such as a lunar rover mockup at a video wall enables engineers and astronauts to simulate and experience mission scenarios, integrated spacecraft systems, and operational procedures in a relevant environment before deployment. By integrating realistic virtual environments, immersive technology allows for the visualization and interaction with virtual spacecraft models, mission landscapes, and complex operational tasks. This approach helps identify potential design flaws, operational challenges, and safety considerations. It also provides valuable insights for risk reduction and helps improve mission efficiency and effectiveness. With advanced motion tracking systems and custom virtual environments, data can be gathered and evaluated to help NASA refine training protocols, develop specialized training procedures, and optimize human-robotic interactions for future space missions. Furthermore, immersive technology offers opportunities for future training initiatives at NASA. The Virtual Reality Laboratory at JSC has pioneered training with Virtual Reality (VR) since the Hubble Space Telescope repair missions in the early 1990’s. Extended Reality (XR) simulations enable astronauts to rehearse complex spacewalks, spacecraft maneuvers, and extravehicular activities in a safe and controlled environment. By replicating the physical and cognitive challenges of space missions, immersive training experiences enhance astronauts’ situational awareness, decision-making abilities, and adaptability to unexpected scenarios. Additionally, immersive technology facilitates collaborative training, allowing geographically dispersed crew and mission control personnel to engage in synchronized simulations, fostering teamwork and effective communication. The adoption of immersive technology in NASA’s testing, evaluation, and future training programs has yielded significant benefits. By incorporating human-in-the-loop simulations for studies involving Extra Vehicular Activities (EVA), surface mobility and landing systems, NASA can identify and mitigate risks, optimize operational procedures, and enhance mission success. Ultimately, immersive simulation experiences can empower astronauts to better navigate the complexities of space missions, ensuring their safety, productivity, and success in the dynamic and challenging environments they will experience at the Lunar South Pole.

HITL↗

DOE OSTI2025

Data for "Anti-Pdc1p Nanobody as a Genetically Encoded Inhibitor of Ethanol Production Enables Dual Transcriptional and Post-translational Controls of Yeast Fermentations"

Microbial fermentation provides a sustainable method of producing valuable chemicals. Adding dynamic control to fermentations can significantly improve titers, but most systems rely on transcriptional controls of metabolic enzymes, leaving existing intracellular enzymes unregulated. This limits the ability of transcriptional controls to switch off metabolic pathways, especially when metabolic enzymes have long half-lives. We developed a two-layer transcriptional/post-translational control system for yeast fermentations. Specifically, the system uses blue light to transcriptionally activate the major pyruvate decarboxylase PDC1 , required for cell growth and concomitant ethanol production. Switching to darkness transcriptionally inactivates PDC1 and instead activates the anti-Pdc1p nanobody, NbJRI, to act as a genetically encoded inhibitor of Pdc1p accumulated during the growth phase. This dual transcriptional/post-translational control improves the production of 2,3-BDO and citramalate by up to 100 and 92% compared to using transcriptional controls alone in dynamic two-phase fermentations. This study establishes the NbJRI nanobody as an effective genetically encoded inhibitor of Pdc1p that can enhance the production of pyruvate-derived chemicals.

metabolic engineering↗

NASA NTRS2012

Science Benefits of Onboard Spacecraft Navigation

Primitive bodies (asteroids and comets), which have remained relatively unaltered since their formation, are important targets for scientific missions that seek to understand the evolution of the solar system. Often the first step is to fly by these bodies with robotic spacecraft. The key to maximizing data returns from these flybys is to determine the spacecraft trajectory relative to the target body-in short, navigate the spacecraft- with sufficient accuracy so that the target is guaranteed to be in the instruments' field of view. The most powerful navigation data in these scenarios are images taken by the spacecraft of the target against a known star field (onboard astrometry). Traditionally, the relative trajectory of the spacecraft must be estimated hours to days in advance using images collected by the spacecraft. This is because of (1)!the long round-trip light times between the spacecraft and the Earth and (2)!the time needed to downlink and process navigation data on the ground, make decisions based on the result, and build and uplink instrument pointing sequences from the results. The light time and processing time compromise navigation accuracy considerably, because there is not enough time to use more accurate data collected closer to the target-such data are more accurate because the angular capability of the onboard astrometry is essentially constant as the distance to the target decreases, resulting in better "plane-of- sky" knowledge of the target. Excellent examples of these timing limitations are high-speed comet encounters. Comets are difficult to observe up close; their orbits often limit scientists to brief, rapid flybys, and their coma further restricts viewers from seeing the nucleus in any detail, unless they can view the nucleus at close range. Comet nuclei details are typically discernable for much shorter durations than the roundtrip light time to Earth, so robotic spacecraft must be able to perform onboard navigation. This onboard navigation can be accomplished through a self- contained system that by eliminating light time restrictions dramatically improves the relative trajectory knowledge and control and subsequently increases the amount of quality data collected. Flybys are one-time events, so the system's underlying algorithms and software must be extremely robust. The autonomous software must also be able to cope with the unknown size, shape, and orientation of the previously unseen comet nucleus. Furthermore, algorithms must be reliable in the presence of imperfections and/or damage to onboard cameras accrued after many years of deep-space operations. The AutoNav operational flight software packages, developed by scientists at the Jet Propulsion Laboratory (JPL) under contract with NASA, meet all these requirements. They have been directly responsible for the successful encounters on all of NASA's close-up comet-imaging missions (see Figure !1). AutoNav is the only system to date that has autonomously tracked comet nuclei during encounters and performed autonomous interplanetary navigation. AutoNav has enabled five cometary flyby missions (Table!1) residing on four NASA spacecraft provided by three different spacecraft builders. Using this software, missions were able to process a combined total of nearly 1000 images previously unseen by humans. By eliminating the need to navigate spacecraft from Earth, the accuracy gained by AutoNav during flybys compared to ground-based navigation is about 1!order of magnitude in targeting and 2!orders of magnitude in time of flight. These benefits ensure that pointing errors do not compromise data gathered during flybys. In addition, these benefits can be applied to flybys of other solar system objects, flybys at much slower relative velocities, mosaic imaging campaigns, and other proximity activities (e.g., orbiting, hovering, and descent/ascent).

Autonomy↗

DOE OSTI2026

Multinuclear Solid-State NMR and NMR Crystallography of Solid Forms of Creatine and Creatinine

Creatine is a performance-enhancing supplement with two widely available commercial solid forms, namely, creatine monohydrate (creatine·H 2 O) and creatine HCl, the latter of which does not have a reported crystal structure. Moreover, commercial formulations of creatine may contain creatinine, an undesired impurity phase resulting from the self-cyclization of creatine during manufacturing. Therefore, reliable methods for characterizing the different solid forms of creatine and detecting the presence of creatinine are essential. Herein, we address these challenges using 13 C, 15 N, and 35 Cl solid-state NMR (SSNMR) spectroscopy to obtain distinct spectral fingerprints for creatine·H 2 O and creatine HCl, along with creatinine and creatinine HCl. The acquisition of these SSNMR spectra offers a robust approach for both the rapid characterization of each solid form and the detection of the impurity phases. Additionally, quadrupolar NMR crystallography-guided crystal structure prediction (QNMRX-CSP) was applied for the de novo crystal structure determination of creatine HCl, which was validated by the subsequently determined single-crystal X-ray diffraction (SCXRD) structure. Finally, to investigate the relationship between NMR parameters and structural features, 13 C and 15 N chemical shifts and 35 Cl electric field gradient (EFG) tensors were computed from geometry-optimized structures of the four solid forms by using dispersion-corrected DFT-D2* methods. Finally, this integrative approach offers a powerful framework for advancing the structural understanding and quality control of creatine-based supplements and next-generation formulations, as well as a wide range of other solid pharmaceuticals and nutraceuticals.

NMR↗

DOE OSTI2021

Fuel Stratification Effects on Gasoline Compression Ignition with a Regular-Grade Gasoline on a Single-Cylinder Medium-Duty Diesel Engine at Low Load

Prior research studies have investigated a wide variety of gasoline compression ignition (GCI) injection strategies and the resulting fuel stratification levels to maintain control over the combustion phasing, duration, and heat release rate. Previous GCI research at the US Department of Energy’s Oak Ridge National Laboratory has shown that for a combustion mode with a low degree of fuel stratification, called “partial fuel stratification” (PFS), gasoline range fuels with anti-knock index values in the range of regular-grade gasoline (~87 anti-knock index or higher) provides very little controllability over the timing of combustion without significant boost pressures. On the contrary, heavy fuel stratification (HFS) provides control over combustion phasing but has challenges achieving low temperature combustion operation, which has the benefits of low NOX and soot emissions, because of the air handling burdens associated with the required high exhaust gas recirculation rates. Furthermore, this work investigates HFS and PFS combustion, efficiency, and emissions performance on a single-cylinder, medium-duty engine with a regular-grade gasoline (91 research octane number) at 1,200 rpm, 4.3 bar, and 3.0 nominal gross indicated mean effective pressure operating points with boost levels similar to those in a medium-duty diesel application. Authority of combustion phasing with main injection timing sweeps for HFS and second injection timing sweeps and fuel split sweeps for PFS are shown. In addition, this work is discussed in the context of previous findings with a light-duty diesel platform, and next steps and future direction for this work are presented.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2021

Instability of U 3 Si 2 in pressurized water media at elevated temperatures

Following the Fukushima Daiichi accident, significant efforts from industry and the scientific community have been directed towards the development of alternative nuclear reactor fuels with enhanced accident tolerance. Among the proposed materials for such fuels is a uranium silicide compound (U 3 Si 2 ), which has been selected for its enhanced thermal conductivity and high density of uranium compared to the reference commercial light water reactor (LWR) nuclear fuel, uranium oxide (UO 2 ). To be a viable candidate LWR fuel, however, U 3 Si 2 must also demonstrate that, in the event of this fuel coming in contact with aqueous media, it will not degrade rapidly. In this contribution, we report the results of experiments investigating the stability of U 3 Si 2 in pressurized water at elevated temperatures and identify the mechanisms that control the interaction of U 3 Si 2 under these conditions. Our data indicate that the stability of this material is primarily controlled by the formation of a layer of USiO 4 (the mineral, coffinite) at the surface of U 3 Si 2 . The results also show that these layers are destabilized at T > 300 °C, leading to the complete decomposition of U 3 Si 2 and its pulverization due to its full oxidation to UO 2 .

36 MATERIALS SCIENCE↗