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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,477 records · Page 82

Maneuver design for Galileo Jupiter approach and orbital operations

Following the successful release of the Galileo probe, the navigation efforts were focused on the implementation of the critical Io approach and the Jupiter orbit insertion strategy. The actual in-flight events on the approach phase affected the strategy. The most significant event was the onboard tape recorder anomaly, and it is shown that this anomaly affected the plans and assumptions of the navigation strategy for the approach and orbit insertion. The analysis, constraints, contingency planning and design evolution of trajectory correction maneuvers which enabled the continuation of the mission, are reported on. The Jupiter approach and initial orbit navigation strategy is presented in order to verify the viability of the strategy under nominal circumstances, and future mission operations plans are described.

Wilson, Michael G.↗

Real-time inference and extrapolation with Time-Conditioned UNet: Applications in hypersonic flows, incompressible flows, and global temperature forecasting

Neural Operators are fast and accurate surrogates for nonlinear mappings between functional spaces within training domains. Extrapolation beyond the training domain remains a grand challenge across all application areas. We present Time-Conditioned UNet (TC-UNet) as an operator learning method to solve time-dependent PDEs continuously in time without any temporal discretization, including in extrapolation scenarios. TC-UNet incorporates the temporal evolution of the PDE into its architecture by combining a parameter conditioning approach with the attention mechanism from the Transformer architecture. After training, TC-UNet makes real-time inferences on an arbitrary temporal grid. We demonstrate its extrapolation capability on a climate problem by estimating the global temperature for several years and also for inviscid hypersonic flow around a double cone. We propose different training strategies involving temporal bundling and sub-sampling. We demonstrate performance improvements for several benchmarks, performing extrapolation for long time intervals and zero-shot super-resolution time.

Deep learning↗

A kinetic study of solar wind electrons in the transition region from collision dominated to collisionless flow

We have studied the evolution of the velocity distribution function of a test population of electrons in the solar corona and inner solar wind region, using a recently developed kinetic model. The model solves the time dependent, linear transport equation, with a Fokker-Planck collision operator to describe Coulomb collisions between the 'test population' and a thermal background of charged particles, using a finite differencing scheme. The model provides information on how non-Maxwellian features develop in the distribution function in the transition region from collision dominated to collisionless flow. By taking moments of the distribution the evolution of higher order moments, such as the heat flow, can be studied.

Lie-Svendsen, O.↗

RainCube, a Ka-band Precipitation Radar in a 6U CubeSat

RainCube (Radar in a CubeSat) is a 6U CubeSat mission between the Jet Propulsion Laboratory (JPL) and Tyvak Nano-Satellite Systems (Tyvak). The objective of the mission is to develop, launch, and operate a 35.75 GHz nadirpointing precipitation profiling radar payload to validate a new architecture for Ka-band radars and an ultra-compact deployable Ka-band antenna design in the space environment. RainCube will also demonstrate the feasibility of a radar payload on a CubeSat platform. The radar payload is the evolution of two previous JPL research and development technologies – the miniaturized Ka-band atmospheric radar (miniKaAR) and the 0.5m diameter Ka-band parabolic deployable antenna (KaPDA). JPL has contracted Tyvak to develop the spacecraft bus, integrate the payload, and operate the spacecraft. RainCube is currently in integration and test with an expected ready-for-delivery in September 2017.

Williams, Austin↗

Autonomous System Inference, Trojan, and Adversarial Reprogramming Attack and Defense (Final)

In the world of ever-advancing technology, Autonomous Systems (AS) find extensive application, bolstering functionalities of critical infrastructures such as nuclear power plants. These systems, however, are increasingly becoming a target for nefarious activities, namely through inference attacks, trojan attacks, and adversarial reprogramming. This paper delves into a comprehensive exploration of machine learning (ML)-driven autonomous control systems within advanced nuclear reactor designs, revealing the vulnerabilities and proposing strategies for defense against potential cyber-attacks. Advanced cyber-attacks against critical infrastructure and the energy sector are becoming more common. With the invention of autonomous control systems (ACS) within advanced nuclear reactor designs, system designers, reactor operators, and regulators must consider cybersecurity during the design and operational phases. This article provides a cyber threat assessment of machine learning (ML)- based digital twinning (DT) technologies in the context of advanced reactor ACS. A cyber-physical testbed was created to emulate nuclear reactor digital instrumentation and controls (I&C) and act as a basis for the ACS. The ACS was designed as two plant-level DTs predicting reactor malfunctions and determining control actions and two component-level DTs responsible for classifying component states and forecasting component inputs and outputs (I/O). Two duplicate ACS designs– one using a traditional ML framework and one using an automated ML (AutoML) framework– were created and tested against cyber-attacks on training data, real-time process data, and ML model architectures to determine their respective qualitative cyber-risk in terms of likelihood and impact. Both frameworks showed similar cyber-resilience against training, real-time, and ML architecture attacks, proving that neither is inherently more secure. Recommended safeguard and security measures are posed to system designers, reactor operators, and regulators to maintain the cybersecurity of ML-based DT technologies such as ACS, prompting a holistic view of shared responsibility for maintaining cyber-secure ML-based systems. As global reliance on generation III reactors begins to be critically assessed, the evolution towards advanced reactor systems utilizing digital instrumentation and controls (I&C) becomes not merely preferable, but essential. The integration of semi and fully autonomous control systems (ACS), powered by digital I&C and machine learning (ML)-based digital twinning (DT) technologies, emerges as a potent strategy to mitigate operations and maintenance costs, thereby enhancing the economic feasibility of novel reactor designs. However, with a staggering 500% and 380% increase in cyber-attacks reported against the energy sector by the United States Department of Energy (DoE) and the European Union respectively, a surge in cyber vulnerabilities specifically targeting the nuclear industry has been 2 markedly observed. Notable incidents, such as the W32.Ramnit spyware infiltration at the Gundremmingen nuclear power plant in Germany and the Dtrack spyware intrusion at the Kudankulam nuclear power plant in India, while not directly compromising core industrial control systems (ICS), underscore a compelling necessity to fortify cybersecurity protocols in safeguarding reactor systems against increasingly adept digital adversaries. In light of this, our investigation extends beyond conventional cybersecurity parameters, diving into the intricate web of potential vulnerabilities woven into ML-based DTs and ACS in advanced reactor systems. A crafted cyber-physical testbed and preliminary ACS were devised to act as a mirror, reflecting potential configurations of advanced reactor control designs. Moreover, this study is intertwined with a scrutinization of ML models, developed either through conventional, manually tuned methodologies or via automated means through AutoML, probing into their cyber-risk profiles within operational technology (OT) environments. Expanding on this, two distinct ACS blueprints were forged – one navigating through the corridors of traditional ML and the other traversing the path of AutoML – in an effort to holistically encapsulate the considerations pivotal to ML-based DT control system design. Employing the SANS Institute Industrial Control System (ICS) Kill Chain and the MITRE ATT&CK Tactics, Techniques, and Procedures (TTP) framework, a structured analysis was conducted, launching three targeted attacks against the training dataset, real-time dataset, and ML models, therein dissecting the potential cyber-attack implications against both ML frameworks within an ACS milieu. It is essential to note that three distinct categories of attacks were conducted against both ACS configurations, each encompassing three distinct ML-based DTs, cumulating in a total of 18 varied attacks. This exploration extends into the realms of Autonomous System Inference, Trojan, and Adversarial Reprogramming Attack and Defense, unraveling vulnerabilities, and opportunities for fortified defenses against such intrusions, particularly where ML-driven technologies, and by extension, ACS, are deployed. Final recommendations, articulated through a lens of security, safeguard, and implementation considerations, are presented for both traditional and AutoML models, anchoring upon the existing knowledge landscape and ML-based DT modeling for ACS, and are offered as a beacon to guide the nuclear industry through the intricate cybersecurity challenges that lie ahead.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Subject Matter Expert Evaluation of Multi-Flight Common Route Advisories

Traffic flow management seeks to balance the demand for National Airspace System (NAS) flight resources, such as airspace and airports, with the available supply. When forecasted weather blocks nominal air traffic routes, traffic managers must re-route affected flights for weather avoidance. Depending on the nature and scope of the weather, traffic managers may use pre-coordinated re-routes such as Playbook Routes or Coded Departure Routes, or may design ad hoc local re-routes. The routes of affected flights are modified accordingly. These weather avoidance routes will, of course, be less efficient than the nominal routes due to increased flight time and fuel burn. In current traffic management operations, the transition into a weather avoidance re-routing initiative is typically implemented more aggressively than the transition out of that initiative after the weather has dissipated or moved away. For example, strategic large-scale Playbook re-routes are sometimes left in place (as initially implemented) for many hours before being lifted entirely when the weather dissipates. There is an opportunity to periodically modify the re-routing plan as weather evolves, thereby attenuating its adverse impact on flight time and fuel consumption; this is called delay recovery. Multi-Flight Common Routes (MFCR) is a NASA-developed operational concept and associated decision support tool for delay recovery, designed to assist traffic managers to efficiently update weather avoidance traffic routes after the original re-routes have become stale due to subsequent evolution of the convective weather system. MFCR groups multiple flights to reduce the number of advisories that the traffic manager needs to evaluate, and also merges these flights on a common route segment to provide an orderly flow of re-routed traffic. The advisory is presented to the appropriate traffic manager who evaluates it and has the option to modify it using MFCRs graphical user interface. If the traffic manager finds the advisory to be operationally appropriate, he or she would coordinate with the Area Supervisor(s) of the sectors that currently control the flights in the advisory. When the traffic manager accepts the MFCR advisory via the user interface, the corresponding flight plan amendments would be sent to the displays of the appropriate sector controllers, using the Airborne Re-Routing (ABRR) capability which is scheduled for nationwide operation in 2017. The sector controllers would then offer this time-saving route modification to the pilots of the affected flights via datalink (or voice), and implement the corresponding flight plan amendment if the pilots accept it. MFCR is implemented as an application in the software environment of the Future Air traffic management Concepts Evaluation Tool (FACET). This paper focuses on an initial subject matter expert (SME) evaluation of MFCR. The evaluation covers MFCRs operational concept, algorithm, and user interface.

Human-in-the-loop Evaluation↗

Subject Matter Expert Evaluation of Multi-Flight Common Route Advisories

Traffic flow management seeks to balance the demand for National Airspace System (NAS) flight resources, such as airspace and airports, with the available supply. When forecasted weather blocks nominal air traffic routes, traffic managers must re-route affected flights for weather avoidance. Depending on the nature and scope of the weather, traffic managers may use pre-coordinated re-routes such as Playbook Routes or Coded Departure Routes, or may design ad hoc local re-routes. The routes of affected flights are modified accordingly. These weather avoidance routes will, of course, be less efficient than the nominal routes due to increased flight time and fuel burn. In current traffic management operations, the transition into a weather avoidance re-routing initiative is typically implemented more aggressively than the transition out of that initiative after the weather has dissipated or moved away. For example, strategic large-scale Playbook re-routes are sometimes left in place (as initially implemented) for many hours before being lifted entirely when the weather dissipates. There is an opportunity to periodically modify the re-routing plan as weather evolves, thereby attenuating its adverse impact on flight time and fuel consumption; this is called delay recovery. Multi-Flight Common Routes (MFCR) is a NASA-developed operational concept and associated decision support tool for delay recovery, designed to assist traffic managers to efficiently update weather avoidance traffic routes after the original re-routes have become stale due to subsequent evolution of the convective weather system. MFCR groups multiple flights to reduce the number of advisories that the traffic manager needs to evaluate, and also merges these flights on a common route segment to provide an orderly flow of re-routed traffic. The advisory is presented to the appropriate traffic manager who evaluates it and has the option to modify it using MFCRs graphical user interface. If the traffic manager finds the advisory to be operationally appropriate, he or she would coordinate with the Area Supervisor(s) of the sectors that currently control the flights in the advisory. When the traffic manager accepts the MFCR advisory via the user interface, the corresponding flight plan amendments would be sent to the displays of the appropriate sector controllers, using the Airborne Re-Routing (ABRR) capability which is scheduled for nationwide operation in 2017. The sector controllers would then offer this time-saving route modification to the pilots of the affected flights via datalink (or voice), and implement the corresponding flight plan amendment if the pilots accept it. MFCR is implemented as an application in the software environment of the Future Air traffic management Concepts Evaluation Tool (FACET). This paper focuses on an initial subject matter expert (SME) evaluation of MFCR. The evaluation covers MFCRs operational concept, algorithm, and user interface.

Traffic flow management↗

Advanced Reactors Spent Fuel & Waste Science and Technology Program

Based on the higher interest in Advanced Reactor (AR) deployment (e.g., ARDP ) for potential new fuel cycles, the Spent Fuel & Waste Science and Technology (SFWST) Program has begun to evaluate the possible implications of long-term management and final disposition of potential Advance Reactor spent nuclear fuels (SNF) that would be generated in potential advanced reactors. Safely managing and dispositioning the potential future AR SNF, and any other associated radioactive wastes, is the primary focus of this initial preliminary assessment of those. This paper summarizes three primary tasks the Spent Fuel & Waste Science and Technology (SFWST) Program is executing (or collaborating on) related to the back end of the nuclear fuel cycle (BENFC) for potential future advanced reactors: 1. Advanced Reactors Spent Fuel and Waste Streams: Strategies for the BENFC This set of activities define a high-level strategy for how to systematically approach, identify, and close research and development (R&D) gaps/potential issues associated with long-term management and final disposition of AR SNF and other possible AR waste streams. This task involves summarizing advanced reactor concepts, their likely SNF and other waste forms, and identifying previous experience with similar materials, for example from DOE-managed SNF, with closely related characteristics to the potential future AR SNF. Technical R&D gaps between the breadth of detailed understanding for safe storage, transportation and disposal of the existing light water reactor SNF fuel cycle (e.g., see NASEM, 2022) and potential future fuel cycles based on advanced reactors would then be identified. 2. Characterization and Packaging Options of Advanced Reactor SNF These activities evaluate characteristics and packaging options for advanced reactor spent fuel forms. The fuel forms are categorized into three types: (1) tri-structural isotropic (TRISO), (2) metallic, and (3) fuel salt. Emphasis is given to TRISO and metallic SNF and additional waste streams from such AR as driven by the near-term anticipated operation of the Xe-100 and the Natrium reactors as advanced-reactor demonstrations1. Preliminary information for the spent-fuel salt discharged from molten-salt reactors (MSRs) is examined to provide a baseline for future efforts. All calculations and assumptions in this work are based on publicly available information. The following characteristics are calculated or estimated for use in the preliminary assessments: SNF volume and mass, radiation/activity levels through time, thermal conditions through time, potential radionuclide source terms, chemical interactions and evolutions, disposal inventories, and waste-form lifetime. Using those characteristics, calculations to determine the applicability of existing canister designs were performed. These evaluations included geometric (e.g., dimension, volume) and mass/weight considerations, known operational approaches and loading procedures, physical and chemical considerations/conditions for storage environments, as-loaded radiation, thermal, and criticality analyses to identify constraints for storage, transportation, and disposal. 3. Back-End Management of Advanced Reactors (BEMAR) The DOE NE-8 organization has defined an Integrated Project Team to evaluate the Back End Management of Advanced Reactors (BEMAR) (includes DOE staff from a range of organizations (e.g., NE-81, NE-82, OCED) and national laboratory technical staff within the DOE NE-81 and NE-82 programs). This BEMAR group works directly with advance reactors developers to assess for the DOE the technical feasibility of storage, transportation, and disposal of AR SNF based on the characteristics provided by the developers to DOE (much of which is proprietary). The BEMAR is also tasked to develop rough-order-of-magnitude cost estimates to compare the waste management system for individual advanced reactors to existing light-water reactor management practices. To accomplish this, the BEMAR group is implementing a Systems Engineering approach.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Entropy Dynamics in the System of Interacting Qubits

Here, the classical second law of thermodynamics demands that an isolated system evolves with a nondiminishing entropy. This holds as well in quantum mechanics if the evolution of the energy-isolated system can be described by a unital quantum channel. At the same time, the entropy of a system evolving via a nonunital channel can, in principle, decrease. Here, we analyze the behavior of entropy in the context of the H-theorem. As exemplary phenomena, we discuss the action of a Maxwell demon (MD) operating a qubit and the processes of heating and cooling in a two-qubit system. Further we discuss how small initial correlations between a quantum system and a reservoir affect the entropy increase during the quantum-system evolution.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Pore-scale modelling of Ostwald ripening

In a saturated solution with dispersed clusters of a second phase, the mechanism by which the larger clusters grow at the expense of the smaller ones is called Ostwald ripening. Although the mechanism is well understood in situations where multiple clusters of gas exist in a liquid solution, evolution is much more complicated to predict when the two phases interact with a solid matrix, since the solid plays a significant role in determining the shape of the interface. In this paper, we study capillary dominated regimes in porous media where the driving force is inter-cluster diffusion. By decomposing the Ostwald ripening mechanism into two processes that operate on different time scales – the diffusion of solute gas in the liquid and the readjustment of the shape of the gas–liquid interface to accommodate a change in mass – we develop a sequential algorithm to solve for the evolution of systems with multiple gas ganglia. In the absence of a solid matrix, thermodynamic equilibrium is reached when all of the gas phase aggregates to form one large bubble. In porous media on the other hand, we find that ripening can lead to equilibrium situations with multiple disconnected ganglia, and that evolution is highly dependent on initial conditions and the structure of the solid matrix. The fundamental difference between the two cases is in the relationship between mass and capillary pressure.

bio-inspired, mechanical behavior, carbon sequestr↗

Drainage Evolution in the Debris Avalanche Deposits Near Mount Saint Helens, Washington

The 18 May 1980 eruption of Mount St. Helens was initiated by a massive rockslide-debris avalanche which completely transformed the upper 25 km of the North Fork Toutle River valley. The debris was generated by one of the largest gravitational mass movements ever recorded on Earth. Moving at an average velocity of 35 m/s, the debris avalanche buried approximately 60 sq km of terrain to an average depth of 45 m with unconsolidated, poorly sorted volcaniclastic material, all within a period of 10 minutes. Where exposed and unaltered by subsequent lahars and pyroclastic flows, the new terrain surface was characterized predominantly by hummocks, closed depressions, and the absence of an identifiable channel network. Following emplacement of the debris avalanche, a complex interrelationship of fluvial and mass wasting processes immediately began operating to return the impacted area to an equilibrium status through the removal of material (potential energy) and re-establishment of graded conditions. In an attempt to chronicle the morphologic evolution of this unique environmental setting, a systematic series of interpretative maps of several selected areas was produced. These maps, which document the rate and character of active geomorphic processes, are discussed.

Gary L Beach↗

Domesticating the green alga Scenedesmus obliquus

Microalgae cultivation processes exist only for a few species used in commercial applications. Their domestication is still in its infancy, with major advances required, specifically to overcome limiting factors in microalgae production. The goal is to develop superior strains without the need of genetic technologies that would require lengthy regulatory permits, and often limit consumer acceptance. Adaptive Laboratory Evolution techniques, alone or in conjunction with sexual recombination, can allow for rapid develop of improved strains and their industrial production. Approaches include increased photon utilization efficiency by cultures operating under full sunlight conditions due to higher light saturation levels, allowing for higher productivities under outdoor conditions. Decades of research yielded some promising results under controlled conditions with a few specific mutant strains. However, these failed to achieve the anticipated higher productivities in actual algal mass cultures, in part due to the inability of mutations to overcome photoinhibition, reactive oxygen species, and other pleiotropic impacts on photosynthesis.

09 BIOMASS FUELS↗

Assimilation of Blended Satellite Soil Moisture Data Products to Further Improve Noah-MP Model Skills

Microwave satellite remote sensing has enabled observations of soil moisture (SM) at the global scale, and multiple SM data products have been developed in the past decades. However, single-sensor-based measurements are insufficient for continuous spatiotemporal coverage. In the context of its climate program, the Climate Change Initiative, the European Space Agency (ESA) has developed robust, long term, global scale, multi instrument satellite derived time series of climate data record for key component of the climate system, including soil moisture (CCI), while the Soil Moisture Operational Product System (SMOPS) was specifically developed by National Oceanic and Atmospheric Administration (NOAA) to offer the real time blended SM datasets through merging all available individual products. Before combining, all individual SM data ingested into both SMOPS and CCI blended products are scaled to Global Land Data Assimilation System (GLDAS) 0-10 cm SM climatology. Benefiting from land surface model evolution and the availability of high-quality forcing data, GLDAS has become more comprehensive to track SM changes and dynamic trends. The development of GLDAS and the scaling procedure in CCI and SMOPS leave an open scientific and operational question: do the blended satellite SM data products have added value comparing to the GLDAS product? This study clearly reveals that both CCI and SMOPS can provide the reliable SM observations with independent information, although their climatology matches well with GLDAS. Relative to assimilation of GLDAS 0-10 cm SM data, Noah-MP model can be further improved by assimilating the blended satellite SM observations with respect to the quality-controlled in situ measurements. The strong consistency of results presented in this paper proves that the blended satellite SM data products are more useful than the GLDAS product in terms of improving Noah-MP model performance.

Jifu Yin↗

Direct Experimental Probe of the Ni(II)/Ni(III)/Ni(IV) Redox Evolution in LiNi 0.5 Mn 1.5 O 4 Electrodes

The LiNi 0.5 Mn 1.5 O 4 spinel is an appealing cathode material for next generation rechargeable Li-ion batteries due to its high operating voltage of ~4.7 V (vs Li/Li + ). Although it is widely believed that the full range of electrochemical cycling involves the redox of Ni(II)/(IV), it has not been experimentally clarified whether Ni(III) exists as the intermediate state or a double-electron transfer takes place. Here, combined with theoretical calculations, we show unambiguous spectroscopic evidence of the Ni(III) state when the LiNi 0.5 Mn 1.5 O 4 electrode is half charged. This provides a direct verification of single-electron-transfer reactions in LiNi 0.5 Mn 1.5 O 4 upon cycling, namely, from Ni(II) to Ni(III), then to Ni(IV). Additionally, by virtue of its surface sensitivity, soft X-ray absorption spectroscopy also reveals the electrochemically inactive Ni 2+ and Mn 2+ phases on the electrode surface. Our work provides the long-awaited clarification of the single-electron transfer mechanism in LiNi 0.5 Mn 1.5 O 4 electrodes. Furthermore, the experimental results serve as a benchmark for further spectroscopic characterizations of Ni-based battery electrodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evolution of telemedicine in the space program and earth applications

Remote monitoring of crew, spacecraft, and environmental health has always been an integral part of the National Aeronautics and Space Administration's (NASA's) operations. Crew safety and mission success face a number of challenges in outerspace, including physiological adaptations to microgravity, radiation exposure, extreme temperatures and vacuum, and psychosocial reactions to space flight. The NASA effort to monitor and maintain crew health, system performance, and environmental integrity in space flight is a sophisticated and coordinated program of telemedicine combining cutting-edge engineering with medical expertise. As missions have increased in complexity, NASA telemedicine capabilities have grown apace, underlying its role in the field. At the same time, the terrestrial validation of telemedicine technologies to bring healthcare to remote locations provides feedback, improvement, and enhancement of the space program. As NASA progresses in its space exploration program, astronauts will join missions lasting months, even years, that take them millions of miles from home. These long-duration missions necessitate further technological breakthroughs in tele-operations and autonomous technology. Earth-based monitoring will no longer be real-time, requiring telemedicine capabilities to advance with future explorers as they travel deeper into space. The International Space Station will serve as a testbed for the telemedicine technologies to enable future missions as well as improve the quality of healthcare delivery on Earth.

long duration↗

Understanding the Space Shuttle Main Engine Hydraulic Actuation System and Reviewing Its Evolution

The complex engine start and thrust control requirements of the Space Shuttle Main Engine (SSME) require unique valve, actuator and control system hardware. The Hydraulic Actuation System (HAS) was designed, developed, and now operates to meet tight engine control requirement limits to assure safe, reliable and correct engine thrust at all times. The actuator is designed to be fail safe and fail operate in the areas where redundancy is important. The HAS has an additional pneumatic operating capability that insures a safe sequential closure of all actuators and propellant valves in the event of the loss of hydraulic system pressure or loss of electrical closed loop control of the actuator. The objective of this paper is to provide a complete description of the actuator s internal operating system, along with its interaction with all SSME system interfaces. Additionally the paper addresses the challenges, problems identified, and corrected, and lessons learned, during the course of the almost 35 years of engine operation.

McWade, Robert J.↗

Efficient Simulation of Open Quantum Systems on NISQ Trapped‐Ion Hardware

Abstract Simulating open quantum systems, which interact with external environments, presents significant challenges on noisy intermediate‐scale quantum (NISQ) devices due to limited qubit resources and noise. In this study, an efficient framework is proposed for simulating open quantum systems on NISQ hardware by leveraging a time‐perturbative Kraus operator representation of the system's dynamics. This approach avoids the computationally expensive Trotterization method and exploits the Lindblad master equation to represent time evolution in a compact form, particularly for systems satisfying specific commutation relations. The efficiency of this method is demonstrated by simulating quantum channels, such as the continuous‐time Pauli channel and damped harmonic oscillators, on NISQ trapped‐ion hardware, including IonQ Harmony and Quantinuum H1‐1. Additionally, hardware‐agnostic error mitigation techniques are introduced, including Pauli channel fitting and quantum depolarizing channel inversion, to enhance the fidelity of quantum simulations. These results show strong agreement between the simulations on real quantum hardware and exact solutions, highlighting the potential of Kraus‐based methods for scalable and accurate simulation of open quantum systems on NISQ devices. This framework opens pathways for simulating more complex systems under realistic conditions in the near term.

Burdine, Colin [Department of Electrical and Compu↗

Operando Analyses of Solar Fuels Light Absorbers and Catalysts

Operando synchrotron radiation photoelectron spectroscopy in the tender X-ray energy range has been used to obtain information on the energy-band relations of semiconductor and metal-covered semiconductor surfaces while in direct contact with aqueous electrolytes under potentiostatic control. The system that was investigated consists of highly doped Si substrates that were conformally coated with ~70 nm titania films produced by atomic-layer deposition. TiO 2 /electrolyte and Si/TiO 2 /Ni/electrolyte interfaces were then analyzed by synchrotron radiation photoelectron spectroscopy. The PES data allows for determination of the flat-band position and identification of potential regions in which Fermi level pinning, depletion, or accumulation occurred. Operando X-ray absorption spectroscopy (XAS) techniques were additionally used to investigate the properties of heterogeneous electrocatalysts for the oxygen-evolution reaction. Operando XAS including the pre-edge, edge and EXAFS regions allowed the development of a detailed picture of the catalysts under operating conditions, and elucidated the changes in the physical and electronic structure of the catalyst that accompanied increases in the applied potential. Specifically, XAS data, combined with DFT studies, indicated that the activity of the electrocatalyst correlated with the formation of Fe dopant sites in γ-NiOOH.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗