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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 73 records · Page 4

Wind Turbine Contingency Control Through Generator De-Rating

Maximizing turbine up-time and reducing maintenance costs are key technology drivers for wind turbine operators. Components within wind turbines are subject to considerable stresses due to unpredictable environmental conditions resulting from rapidly changing local dynamics. In that context, systems health management has the aim to assess the state-of-health of components within a wind turbine, to estimate remaining life, and to aid in autonomous decision-making to minimize damage to the turbine. Advanced contingency control is one way to enable autonomous decision-making by providing the mechanism to enable safe and efficient turbine operation. The work reported herein explores the integration of condition monitoring of wind turbines with contingency control to balance the trade-offs between maintaining system health and energy capture. The contingency control involves de-rating the generator operating point to achieve reduced loads on the wind turbine. Results are demonstrated using a high fidelity simulator of a utility-scale wind turbine.

condition monitoring↗

Correlating dynamic strain and photoluminescence of solid-state defects with stroboscopic x-ray diffraction microscopy

Abstract Control of local lattice perturbations near optically-active defects in semiconductors is a key step to harnessing the potential of solid-state qubits for quantum information science and nanoscale sensing. We report the development of a stroboscopic scanning X-ray diffraction microscopy approach for real-space imaging of dynamic strain used in correlation with microscopic photoluminescence measurements. We demonstrate this technique in 4H-SiC, which hosts long-lifetime room temperature vacancy spin defects. Using nano-focused X-ray photon pulses synchronized to a surface acoustic wave launcher, we achieve an effective time resolution of ~100 ps at a 25 nm spatial resolution to map micro-radian dynamic lattice curvatures. The acoustically induced lattice distortions near an engineered scattering structure are correlated with enhanced photoluminescence responses of optically-active SiC quantum defects driven by local piezoelectric effects. These results demonstrate a unique route for directly imaging local strain in nanomechanical structures and quantifying dynamic structure-function relationships in materials under realistic operating conditions.

36 MATERIALS SCIENCE↗

Signatures of rare states and thermalization in a theory with confinement

There is a dichotomy in the nonequilibrium dynamics of quantum many-body systems. In the presence of integrability, expectation values of local operators equilibrate to values described by a generalized Gibbs ensemble, which retains extensive memory about the initial state of the system. On the other hand, in generic systems such expectation values relax to stationary values described by the thermal ensemble, fixed solely by the energy of the state. At the heart of understanding, this dichotomy is the eigenstate thermalization hypothesis (ETH): individual eigenstates in nonintegrable systems are thermal, in the sense that expectation values agree with the thermal prediction at a temperature set by the energy of the eigenstate. In systems where ETH is violated, thermalization can be avoided. Thus, establishing the range of validity of ETH is crucial in understanding whether a given quantum system thermalizes. Here, we study a simple model with confinement, the quantum Ising chain with a longitudinal field, in which ETH is violated. Despite an absence of integrability, there exist rare (nonthermal) states that persist far into the spectrum. These arise as a direct consequence of confinement: pairs of particles are confined, forming new “meson” excitations whose energy can be extensive in the system size. We show that such states are nonthermal in both the continuum and in the low-energy spectrum of the corresponding lattice model. Here, we highlight that the presence of such states within the spectrum has important consequences, with certain quenches leading to an absence of thermalization and local observables evolving anomalously.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A quantum processor based on coherent transport of entangled atom arrays

The ability to engineer parallel, programmable operations between desired qubits within a quantum processor is key for building scalable quantum information systems. In most state-of-the-art approaches, qubits interact locally, constrained by the connectivity associated with their fixed spatial layout. Here we demonstrate a quantum processor with dynamic, non-local connectivity, in which entangled qubits are coherently transported in a highly parallel manner across two spatial dimensions, between layers of single- and two-qubit operations. Our approach makes use of neutral atom arrays trapped and transported by optical tweezers; hyperfine states are used for robust quantum information storage, and excitation into Rydberg states is used for entanglement generation. We use this architecture to realize programmable generation of entangled graph states, such as cluster states and a seven-qubit Steane code state. Furthermore, we shuttle entangled ancilla arrays to realize a surface code state with thirteen data and six ancillary qubits and a toric code state on a torus with sixteen data and eight ancillary qubits. Finally, we use this architecture to realize a hybrid analogue–digital evolution and use it for measuring entanglement entropy in quantum simulations, experimentally observing non-monotonic entanglement dynamics associated with quantum many-body scars. Realizing a long-standing goal, these results provide a route towards scalable quantum processing and enable applications ranging from simulation to metrology.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Bi-Level Dynamic Optimization with Feedback

This paper considers a bi-level real-time algorithmic framework for networked systems, consisting of several local controllers and a central controller. The central controller issues setpoints to the local controllers to optimize their operational objectives while satisfying system-wide constraints. In this context, the paper develops an online algorithm for tracking the optimal solution of the underlying dynamic optimization problem. The design of the algorithm is based on a projected-gradient method, suitably modified to accommodate appropriate measurements (i.e., feedback). Optimality claims are established in terms of the dynamic regret of the algorithm; the latter is a natural performance criterion in nonstationary environments associated with real-time control problems. Finally, the application of the algorithm to real-time control of power setpoints in an electrical grid is illustrated.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Utilizing local phase transformation strengthening for nickel-based superalloys

Almost 75 years of research has been devoted to producing superalloys capable of higher operating temperatures in jet turbine engines, and there is an ongoing need to increase operating temperature further. Here, a new disk Nickel-base superalloy is designed to take advantage of strengthening atomic-scale dynamic complexions. This local phase transformation strengthening provides the alloy with a three times improvement in creep strength over similar disk superalloys and comparable strength to a single crystal blade alloy at 760 °C. Ultra-high-resolution chemical mapping reveals that the improvement in creep strength is a result of atomic-scale η (D024) and χ (D019) formation along superlattice stacking faults. To understand these results, the energy differences between the L12 and competing D024 and D019 stacking fault structures and their dependence on composition are computed by density functional theory. This study can help guide researchers to further optimize local phase transformation strengthening mechanisms for alloy development.

Timothy M. Smith↗

MERCATOR: Methods and Realization for Control of the Attitude and the Orbit of spacecraft

Since 1974, CNES has been involved in geostationary positioning. Among different entities participating in operations and their preparation, the Flight Dynamics Center (FDC) is in charge of performing the following tasks: orbit determination; attitude determination; computation, monitoring, and calibration of orbit maneuvers; computation, monitoring, and calibration of attitude maneuvers; and operational predictions. In order to fulfill this mission, the FDC receives telemetry from the satellite and localization measurements from ground stations (e.g., CNES, NASA, INTELSAT). These data are processed by space dynamics programs integrated in the MERCATOR system which is run on SUN workstations (UNIX O.S.). The main features of MERCATOR are redundancy, modularity, and flexibility: efficient, flexible, and user friendly man-machine interface; and four identical SUN stations redundantly linked in an Ethernet network. Each workstation can perform all the tasks from data acquisition to computation results dissemination through a video network. A team of four engineers can handle the space mechanics aspects of a complete geostationary positioning from the injection into a transfer orbit to the final maneuvers in the station-keeping window. MERCATOR has been or is to be used for operations related to more than ten geostationary positionings. Initially developed for geostationary satellites, MERCATOR's methodology was also used for satellite control centers and can be applied to a wide range of satellites and to future manned missions.

Tavernier, Gilles↗

Asymptotic reversibility of thermal operations for interacting quantum spin systems via generalized quantum Stein’s lemma

Abstract For quantum spin systems in any spatial dimension with a local, translation-invariant Hamiltonian, we prove that asymptotic state convertibility from a quantum state to another one by a thermodynamically feasible class of quantum dynamics, called thermal operations, is completely characterized by the Kullback–Leibler (KL) divergence rate, if the state is translation-invariant and spatially ergodic. Our proof consists of two parts and is phrased in terms of a branch of the quantum information theory called the resource theory. First, we prove that any states, for which the min and max Rényi divergences collapse approximately to a single value, can be approximately reversibly converted into one another by thermal operations with the aid of a small source of quantum coherence. Second, we prove that these divergences collapse asymptotically to the KL divergence rate for any translation-invariant ergodic state. We show this via a generalization of the quantum Stein’s lemma for quantum hypothesis testing beyond independent and identically distributed situations. Our result implies that the KL divergence rate serves as a thermodynamic potential that provides a complete characterization of thermodynamic convertibility of ergodic states of quantum many-body systems in the thermodynamic limit, including out-of-equilibrium and fully quantum situations.

Physics↗

Priority in Process Algebras

This paper surveys the semantic ramifications of extending traditional process algebras with notions of priority that allow for some transitions to be given precedence over others. These enriched formalisms allow one to model system features such as interrupts, prioritized choice, or real-time behavior. Approaches to priority in process algebras can be classified according to whether the induced notion of preemption on transitions is global or local and whether priorities are static or dynamic. Early work in the area concentrated on global pre-emption and static priorities and led to formalisms for modeling interrupts and aspects of real-time, such as maximal progress, in centralized computing environments. More recent research has investigated localized notions of pre-emption in which the distribution of systems is taken into account, as well as dynamic priority approaches, i.e., those where priority values may change as systems evolve. The latter allows one to model behavioral phenomena such as scheduling algorithms and also enables the efficient encoding of real-time semantics. Technically, this paper studies the different models of priorities by presenting extensions of Milner's Calculus of Communicating Systems (CCS) with static and dynamic priority as well as with notions of global and local pre- emption. In each case the operational semantics of CCS is modified appropriately, behavioral theories based on strong and weak bisimulation are given, and related approaches for different process-algebraic settings are discussed.

Cleaveland, Rance↗

Low-Speed Performance Enhancement Using Localized Active Flow Control: Localized Active Flow Control Simulations on a Reference Aircraft (2/4)

A study of the potential implementations of localized active flow control (AFC) technology onto future airplanes is presented. This collaborative investigation addresses key objectives of the NASA Advanced Air Transport Technology (AATT) Project, in terms of reduction in fuel consumption and lower emission. It specifically targets the goals set forth in a roadmap developed by the NASA/Boeing team. The roadmap is a result of a series of meetings held between the two parties over the years and it represents a shared vision for practical implementations, leading up to flight demonstrations of localized flow control. If successful, localized flow control may lead to important ramifications for next generation airplanes from both the economic and environmental perspectives. Under this contract localized AFC has been used to improve aerodynamic performance during high-lift operations using Computational Fluid Dynamics (CFD). Specifically, AFC has been applied at the aileron and at various location in the wing leading edge (LE) regions. The applications target reduced drag and enhanced lift over the range of practical angles of attack, including stall. These benefits translate to airplane performance improvements, such as longer range or larger payload. The CFD results are used to quantify potential aerodynamic benefits, as well as the input required for actuation. This helps identify the most promising candidates, which potentially provide material net airplane level enhancements using onboard fluidic sources. The airplane configuration selected for the CFD study is a representative of a future short/medium-range twin-engine airplane dubbed the Reference Aircraft. A slew of AFC applications has been explored and their aerodynamic performance enhancements were benchmarked against the baseline Reference Aircraft. Promising AFC candidates have been deemed practical and potentially suitable for both the aileron and the wing LE implementations. The findings on the Reference Aircraft are used to guide the development of the AFC-enhanced aileron for the CRM-HL. The wind-tunnel model of the CRM-HL will be used by NASA to validate the AFC concepts, complementing the CFD-based analysis and the integration study (final report document #3).

CFD↗

cloud_fs (Cloud File System Utilities) [SWR-21-83]

cloud-fs (Cloud File System Utilities) is a generalized file-system handler that will dynamically determine if files are local or on the cloud (currently AWS) and perform basic file-system operations.

Rossol, Michael↗

Development of A Hardware-In-the-Loop (HIL) Testbed for Cyber-Physical Security in Smart Buildings

As smart buildings move towards open communication technologies, providing access to the Building Automation System (BAS) through the building's intranet, or even remotely through the Internet, has become a common practice. However, BAS was historically developed as a closed environment and designed with limited cyber-security considerations. Thus, smart buildings are vulnerable to cyber-attacks with the increased accessibility. This study introduces the development and capability of a Hardware-in-the-Loop (HIT) testbed for testing and evaluating the cyber-physical security of typical BASs in smart buildings. The testbed consists of three subsystems: (1) a real-time HIL emulator simulating the behavior of a virtual building as well as the Heating, Ventilation, and Air Conditioning (HVAC) equipment via a dynamic simulation in Modelica; (2) a set of real HVAC controllers monitoring the virtual building operation and providing local control signals to control HVAC equipment in the HIL emulator; and (3) a BAS server along with a web-based service for users to fully access the schedule, setpoints, trends, alarms, and other control functions of the HVAC controllers remotely through the BACnet network. The server generates rule-based setpoints to local HVAC controllers. Based on these three subsystems, the HIL testbed supports attack/fault-free and attack/fault-injection experiments at various levels of the building system. The resulting test data can be used to inform the building community and support the cyber-physical security technology transfer to the building industry.

Li, Guowen↗

Control of the NASA Langley 16-Foot Transonic Tunnel with the Self-Organizing Feature Map

A predictive, multiple model control strategy is developed based on an ensemble of local linear models of the nonlinear system dynamics for a transonic wind tunnel. The local linear models are estimated directly from the weights of a Self Organizing Feature Map (SOFM). Local linear modeling of nonlinear autonomous systems with the SOFM is extended to a control framework where the modeled system is nonautonomous, driven by an exogenous input. This extension to a control framework is based on the consideration of a finite number of subregions in the control space. Multiple self organizing feature maps collectively model the global response of the wind tunnel to a finite set of representative prototype controls. These prototype controls partition the control space and incorporate experimental knowledge gained from decades of operation. Each SOFM models the combination of the tunnel with one of the representative controls, over the entire range of operation. The SOFM based linear models are used to predict the tunnel response to a larger family of control sequences which are clustered on the representative prototypes. The control sequence which corresponds to the prediction that best satisfies the requirements on the system output is applied as the external driving signal. Each SOFM provides a codebook representation of the tunnel dynamics corresponding to a prototype control. Different dynamic regimes are organized into topological neighborhoods where the adjacent entries in the codebook represent the minimization of a similarity metric which is the essence of the self organizing feature of the map. Thus, the SOFM is additionally employed to identify the local dynamical regime, and consequently implements a switching scheme than selects the best available model for the applied control. Experimental results of controlling the wind tunnel, with the proposed method, during operational runs where strict research requirements on the control of the Mach number were met, are presented. Comparison to similar runs under the same conditions with the tunnel controlled by either the existing controller or an expert operator indicate the superiority of the method.

Motter, Mark A.↗

Integrated machine learning-molecular dynamics framework for electrolyte property prediction

Electrochemical stability windows determine the operating range of battery electrolytes, yet accurate prediction remains challenging because stability emerges from statistical ensembles of local solvation environments rather than single ground-state molecular structures. Traditional density functional theory calculations on energy-minimized clusters cannot capture the thermal variations in local coordination environments and geometries that govern decomposition, while SMILES-based machine learning methods lack explicit representation of three-dimensional solvation structure and ion pairing. Here, we introduce a structure-aware machine learning framework that predicts frontier orbital energies (HOMO and LUMO) directly from molecular dynamics-sampled solvation configurations, achieving sub-0.6 eV accuracy at computational costs 3–4 orders of magnitude lower than first-principles methods. Across twelve representative battery electrolytes, we demonstrate that solvent-separated and contact ion pairs exhibit strong size- and local chemistry dependent electronic stability, with variations in coordination shifts of HOMO or LUMO level by 2–3 eV, and that extended solvation structure and partially desolvated environment further modulate stability by up to 3 eV. By encoding the statistical nature of electrochemical failure through ensemble sampling of explicit solvation geometries, our approach enables high-throughput screening and rational design of next-generation battery electrolytes with mechanistic understanding of structure–property relationships.

Energy - Storage↗

Effect of Solvent on the Local Structure, Dynamics, and Vibrational Density of States in Sn-BEA Zeolite

Lewis acid zeolites are attractive catalysts for epoxidation and biomass valorization, as they are highly active and selective in the liquid phase and can operate at or near ambient conditions. While a rich experimental literature exists on liquid-phase Lewis acid zeolite catalysis, our understanding of the molecular organization and solvent dynamics in the vicinity of Lewis acid sites with differing metal site speciation remains limited. In this work, we investigate the molecular coordination and diffusion of two common solvents (methanol and water) around the closed and open Sn-BEA zeolite active sites using molecular dynamics simulations with a machine-learned interatomic potential trained on ab initio molecular dynamics trajectories. Molecular dynamics simulations reveal that introducing active sites significantly enhances local order in the first and second solvation shells compared to the pure silica case. For methanol, both closed and open active sites are singly coordinated, while more than two water molecules coordinate the open site. In contrast to methanol, we observed that water molecules dissociate, leading to the formation of additional Sn-OH and silanol groups away from the active site. The diffusion coefficients of water and methanol are functions of the solvent population in the pore. Here, our work provides insights into how active site speciation in Lewis acid zeolites affects solvent coordination, diffusion, and vibrational signature. This information is foundational for catalyst design and optimization of liquid-phase catalytic processes in zeolites. It also demonstrates the suitability of machine-learned interatomic potentials for modeling reactive systems, enabling sufficiently long trajectories for appropriate statistical averaging.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dynamics of Current-Sharing Within a REBCO Tape-Stack Cable

Current redistribution in a non-insulating REBCO tape-stack cable may enable the use of such a cable in a high field dipole without provision for transposition of the constituent tapes. As current is increased in the REBCO cable a dynamic resistance arises in the superconducting layer near operation at critical current. The critical current of each tape in the stack is determined by the local magnetic field variation within the cable. The superconducting-normal transition in REBCO occurs over a working range of current and, within that range, the longitudinal Ohmic electric field produces a transverse electric field between adjacent tapes with different critical currents. Circuit models indicate that, as a given tape approaches critical operation, current will naturally redistribute to neighboring tapes with higher current carrying capacity due to the dynamic rise in resistivity thus preventing premature quench. Here, a multi-scale model is being developed to study the dynamics of current-sharing, the limits of stability, and the impact of fluctuations in critical-current density along each tape.

43 PARTICLE ACCELERATORS↗

Interfaces in Heterogeneous Catalysts: Advancing Mechanistic Understanding through Atomic-Scale Measurements

Developing novel catalysts with high efficiency and selectivity is critical for enabling future clean energy conversion technologies. Interfaces in catalyst systems have long been considered the most critical factor in controlling catalytic reaction mechanisms. Interfaces include not only the catalyst surface but also interfaces within catalyst particles and those formed by constructing heterogeneous catalysts. The atomic and electronic structures of catalytic surfaces govern the kinetics of binding and release of reactant molecules from surface atoms. Interfaces within catalysts are introduced to enhance the intrinsic activity and stability of the catalyst by tuning the surface atomic and chemical structures. Examples include interfaces between the core and shell, twin or domain boundaries, or phase boundaries within single catalyst particles. In supported catalyst nanoparticles (NPs), the interface between the metallic NP and support serves as a critical tuning factor for enhancing catalytic activity. Surface electronic structure can be indirectly tuned and catalytically active sites can be increased through the use of supporting oxides. Additionally, tuning interfaces in catalyst systems has been identified as an important strategy in the design of novel catalysts. However, the governing principle of how interfaces contribute to catalyst behavior, especially in terms of interactions with intermediates and their stability during electrochemical operation, are largely unknown. This is mainly due to the evolving nature of such interfaces. Small changes in the structural and chemical configuration of these interfaces may result in altering the catalytic performance. These interfacial arrangements evolve continuously during synthesis, processing, use, and even static operation. A technique that can probe the local atomic and electronic interfacial structures with high precision while monitoring the dynamic interfacial behavior in situ is essential for elucidating the role of interfaces and providing deeper insight for fine-tuning and optimizing catalyst properties.Scanning transmission electron microscopy (STEM) has long been a primary characterization technique used for studying nanomaterials because of its exceptional imaging resolution and simultaneous chemical analysis. Over the past decade, advances in STEM, that is, the commercialization of both aberration correctors and monochromators, have significantly improved the spatial and energy resolution. Imaging atomic structures with subangstrom resolution and identifying chemical species with single-atom sensitivity are now routine for STEM. These advancements have greatly benefitted catalytic research. For example, the roles of lattice strain and surface elemental distribution and their effect on catalytic stability and reactivity have been well documented in bimetallic catalysts. In addition, three-dimensional atomic structures revealed by STEM tomography have been integrated in theoretical modeling for predictive catalyst NP design. Recent developments in stable electronic and mechanical devices have opened opportunities to monitor the evolution of catalysts in operando under synthesis and reaction conditions; high-speed direct electron detectors have achieved sub-millisecond time resolutions and allow for rapid structural and chemical changes to be captured. Investigations of catalysts using these latest microscopy techniques have provided new insights into atomic-level catalytic mechanisms. Further integration of new microscopy methods is expected to provide multidimensional descriptions of interfaces under relevant synthesis and reaction conditions.In this Account, we discuss recent insights on understanding catalyst activity, selectivity, and stability using advanced STEM techniques, with an emphasis on how critical interfaces dictate the performance of precious metal-based heterogeneous catalysts. The role of extended interfacial structures, including those between core and shell, between separate phases and twinned grains, between the catalyst surface and gas, and between metal and support are discussed. We also provide an outlook on how emerging electron microscopy techniques, such as vibrational spectroscopy and electron ptychography, will impact future catalysis research.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗