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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

Active State Model for Autonomous Systems

The concept of the active state model (ASM) is an architecture for the development of advanced integrated fault-detection-and-isolation (FDI) systems for robotic land vehicles, pilotless aircraft, exploratory spacecraft, or other complex engineering systems that will be capable of autonomous operation. An FDI system based on the ASM concept would not only provide traditional diagnostic capabilities, but also integrate the FDI system under a unified framework and provide mechanism for sharing of information between FDI subsystems to fully assess the overall health of the system. The ASM concept begins with definitions borrowed from psychology, wherein a system is regarded as active when it possesses self-image, self-awareness, and an ability to make decisions itself, such that it is able to perform purposeful motions and other transitions with some degree of autonomy from the environment. For an engineering system, self-image would manifest itself as the ability to determine nominal values of sensor data by use of a mathematical model of itself, and selfawareness would manifest itself as the ability to relate sensor data to their nominal values. The ASM for such a system may start with the closed-loop control dynamics that describe the evolution of state variables. As soon as this model was supplemented with nominal values of sensor data, it would possess self-image. The ability to process the current sensor data and compare them with the nominal values would represent self-awareness. On the basis of self-image and self-awareness, the ASM provides the capability for self-identification, detection of abnormalities, and self-diagnosis.

Park, Han↗
NASA NTRS2003

NASA Tech Briefs, September 2003

Topics include: Oxygen-Partial-Pressure Sensor for Aircraft Oxygen Mask; Three-Dimensional Venturi Sensor for Measuring Extreme Winds; Swarms of Micron-Sized Sensors; Monitoring Volcanoes by Use of Air-Dropped Sensor Packages; Capacitive Sensors for Measuring Masses of Cryogenic Fluids; UHF Microstrip Antenna Array for Synthetic- Aperture Radar; Multimode Broad-Band Patch Antennas; 164-GHz MMIC HEMT Frequency Doubler; GPS Position and Heading Circuitry for Ships; Software for Managing Parametric Studies; Software Aids Visualization of Computed Unsteady Flow; Software for Testing Electroactive Structural Components; Advanced Software for Analysis of High-Speed Rolling-Element Bearings; Web Program for Development of GUIs for Cluster Computers; XML-Based Generator of C++ Code for Integration With GUIs; Oxide Protective Coats for Ir/Re Rocket Combustion Chambers; Simplified Waterproofing of Aerogels; Improved Thermal-Insulation Systems for Low Temperatures; Device for Automated Cutting and Transfer of Plant Shoots; Extension of Liouville Formalism to Postinstability Dynamics; Advances in Thrust-Based Emergency Control of an Airplane; Ultrasonic/Sonic Mechanisms for Drilling and Coring; Exercise Device Would Exert Selectable Constant Resistance; Improved Apparatus for Measuring Distance Between Axles; Six Classes of Diffraction-Based Optoelectronic Instruments; Modernizing Fortran 77 Legacy Codes; Active State Model for Autonomous Systems; Shields for Enhanced Protection Against High-Speed Debris; Scaling of Two-Phase Flows to Partial-Earth Gravity; Neutral-Axis Springs for Thin-Wall Integral Boom Hinges.

Source record↗
NASA NTRS1980

Design for active flutter suppression and gust alleviation using state-space aeroelastic modeling

An analytical design technique for an active flutter-suppression and gust-alleviation control system is presented. It is based on a rational approximation of the unsteady aerodynamic loads in the entire Laplace domain, which yields matrix equations of motion with constant coefficients. Some existing rational approximation schemes are reviewed, and a new technique which yields a minimal number of augmented states for a desired accuracy is presented. The state-space aeroelastic model is used to design a constant gain, partial-feedback control system, which simultaneously assures stability and optimizes any desired combination of gust response parameters throughout the entire flight envelope.

Karpel, M.↗
DOE OSTI2022

The state of zinc in methanol synthesis over a Zn/ZnO/Cu(211) model catalyst

The active chemical state of zinc (Zn) in a zinc-copper (Zn-Cu) catalyst during carbon dioxide/carbon monoxide (CO 2 /CO) hydrogenation has been debated to be Zn oxide (ZnO) nanoparticles, metallic Zn, or a Zn-Cu surface alloy. We used x-ray photoelectron spectroscopy at 180 to 500 millibar to probe the nature of Zn and reaction intermediates during CO 2 /CO hydrogenation over Zn/ZnO/Cu(211), where the temperature is sufficiently high for the reaction to rapidly turn over, thus creating an almost adsorbate-free surface. Tuning of the grazing incidence angle makes it possible to achieve either surface or bulk sensitivity. Hydrogenation of CO 2 gives preference to ZnO in the form of clusters or nanoparticles, whereas in pure CO a surface Zn-Cu alloy becomes more prominent. Here, the results reveal a specific role of CO in the formation of the Zn-Cu surface alloy as an active phase that facilitates efficient CO 2 methanol synthesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Geodetic Evidence for Distributed Shear Below the Brittle Crust of the Walker Lane, Western United States

Abstract Models of active deformation of the Earth's crust are predominantly represented with dislocations having a downdip continuation into the lower crust, where the fault slips continuously. This model predicts surface strain accumulation concentrated near the fault during the interseismic period. In an alternative model, faults do not extend beneath the elastic portion of the crust and are accompanied by a wide zone of distributed shear underneath, predicting a more constant strain rate lacking concentrations at the faults. We use high‐precision GPS data collected across the northern and central Walker Lane, USA— a region of complex faulting near the western edge of the Basin and Range Province to evaluate which model is appropriate. Despite the existence of dense continuous and semi‐continuous geodetic networks that have been surveyed for ∼20 years, the horizontal velocities reveal no evidence of localized strain accumulation across the fault surface expressions. Instead, deformation within the Walker Lane is uniformly linear, suggesting that the surface deformation reflects distributed shear within the ductile crust rather than focused deformation at faults. This suggests no downdip extension of the faults below the seismogenic layer. The shear zone is 172 ± 6 km wide in the northernmost Walker Lane narrowing to 116 ± 4 km in the central Walker Lane. The total velocity budget across the shear zone is 7.2 ± 0.1 mm/yr in the north, increasing to 10.1 ± 0.1 mm/yr in the central Walker Lane. We conclude that assuming the presence of lower crustal dislocations when estimating geodetic faults slip rates may be inappropriate.

Geochemistry & Geophysics↗
NASA NTRS1993

Modeling study on the cleavage step of the self-splicing reaction in group I introns

A three-dimensional model of the Tetrahymena thermophila group I intron is used to further explore the catalytic mechanism of the transphosphorylation reaction of the cleavage step. Based on the coordinates of the catalytic core model proposed by Michel and Westhof (Michel, F., Westhof, E. J. Mol. Biol. 216, 585-610 (1990)), we first converted their ligation step model into a model of the cleavage step by the substitution of several bases and the removal of helix P9. Next, an attempt to place a trigonal bipyramidal transition state model in the active site revealed that this modified model for the cleavage step could not accommodate the transition state due to insufficient space. A lowering of P1 helix relative to surrounding helices provided the additional space required. Simultaneously, it provided a better starting geometry to model the molecular contacts proposed by Pyle et al. (Pyle, A. M., Murphy, F. L., Cech, T. R. Nature 358, 123-128. (1992)), based on mutational studies involving the J8/7 segment. Two hydrated Mg2+ complexes were placed in the active site of the ribozyme model, using the crystal structure of the functionally similar Klenow fragment (Beese, L.S., Steitz, T.A. EMBO J. 10, 25-33 (1991)) as a guide. The presence of two metal ions in the active site of the intron differs from previous models, which incorporate one metal ion in the catalytic site to fulfill the postulated roles of Mg2+ in catalysis. The reaction profile is simulated based on a trigonal bipyramidal transition state, and the role of the hydrated Mg2+ complexes in catalysis is further explored using molecular orbital calculations.

NASA Discipline Exobiology↗
DOE OSTI2024

Improving BC Mixing State and CCN Activity Representation With Machine Learning in the Community Atmosphere Model Version 6 (CAM6)

Abstract Representing mixing state of black carbon (BC) is challenging for global climate models (GCMs). The Community Atmosphere Model version 6 (CAM6) with the four‐mode version of the Modal Aerosol Module (MAM4) represents aerosols as fully internal mixtures with uniform composition within each aerosol mode, resulting in high degree of internal mixing of BC with non‐BC species and large mass ratio of coating to BC ( R BC , the mass ratio of non‐BC species to BC in BC‐containing particles). To improve BC mixing state representation, we coupled a machine learning (ML) model of BC mixing state index trained on particle‐resolved simulations to the CAM6 with MAM4 (MAM4‐ML). In MAM4‐ML, we use R BC to partition accumulation mode particles into two new modes, BC‐free particles and BC‐containing particles. We adjust R BC to make the modeled BC mixing state index ( χ mode ) match the one predicted by the ML model ( χ ML ). On a global average, the mass fraction of BC‐containing particles in accumulation mode decreases from 100% (MAM4‐default) to 48% (MAM4‐ML). The globally averaged χ mode decreases from 78% (MAM4‐default) to 63% (MAM4‐ML, 19% reduction) and agrees well with χ ML (66%). The R BC decreases by 52% for accumulation mode and better agrees with observations. The hygroscopicity drops by 9% for BC‐containing particles in accumulation mode, leading to a 20% reduction in the BC activation fraction. The surface BC concentration increases most (6.9%) in the Arctic, and the BC burden increases by 4%, globally. Our study highlights the application of the ML model for improving key aerosol processes in GCMs.

Meteorology & Atmospheric Sciences↗
NASA NTRS1990

Effects of source vs. interactive actuator assumptions on modelling of a smart structure

Embedded or internal actuators in a structure are being utilized to perform vibration attenuation, pointing maneuvers, damage control, and other adaptive tasks. The controls-structures-interaction (CSI) design process depends strongly on the coupled dynamic response of the structure and the actuators. A bond graph approach is used to guide this analytical study to uncover the effects of certain generic actuator types on the closed-loop, initial condition control of a single-mode structural model and an eighteen-state model of an active truss. So-called 'flow' and 'effort' source actuator types were studied and were shown to have significant differences in closed-loop response for ranges of initial conditions and system open-loop natural frequencies.

Robertshaw, Harry H.↗
NASA NTRS2002

Global Modeling Activities and NAME

In this talk I will review global modeling activities in the United States that could contribute to and benefit from NAME activities. I will present some preliminary results from several global atmospheric general circulation model simulation experiments for the initial NAME model intercomparison project period of May-Oct 1990. These include an ensemble of medium resolution simulations, and a high resolution (one half degree) simulation. I will also discuss possible high resolution global data assimilation experiments that could be used to help validate the model simulations and assimilate planned NAME observations.

Schubert, Siegfried↗
NASA NTRS2002

Global Modeling Activities and NAME

In this talk I will review global modeling activities in the United States that could contribute to and benefit from NAME activities. I will present some preliminary results from several global atmospheric general circulation model simulation experiments for the initial NAME model intercomparison project period of May-Oct 1990. These include an ensemble of medium resolution simulations, and a high resolution (one half degree) simulation. I will also discuss possible high resolution global data assimilation experiments that could be used to help validate the model simulations and assimilate planned NAME observations.

Schubert, Siegfried↗
NASA NTRS1996

State modeling and pass automation in spacecraft control

The integrated monitoring and control commercial off-the-shelf system (IMACCS), which demonstrates the feasibility of automating spacecraft monitoring and control activities through the use of state modeling, is described together with its use. The use of the system for the control and ground support of the solar, anomalous and magnetic particle explorer (SAMPEX) spacecraft is considered. A key component of IMACCS is the Altair mission control system which implements finite state modeling as an element of its expert system capability. Using the finite state modeling and state transition capabilities of the Altair mission control system, IMACCS features automated monitoring, routine pass support, anomaly resolution and emergency 'lights on again' response. Automatic orbit determination and the production of typical flight dynamics products exists. These functionalities are described.

Klein, J.↗
DOE OSTI2026

A curated benchmark for cofolding models on kinase conformational states

Abstract Protein kinases are critical drug targets, requiring therapeutics that can modulate their active and inactive conformational states. While cofolding models can generate global folds directly from kinase sequences and ligand SMILES strings, these models have not yet been tested on their ability to recover ligand-induced-fit conformational states of the kinase proteins. Here, we introduce KinConfBench, a curated benchmark of 2225 high-quality human kinase chains to evaluate the ability of four state-of-the-art cofolding models—Boltz-2, Chai-1, Protenix, and RoseTTAFold-All-Atom—to recover both canonical and rare conformational states. We show that geometric success metrics of a ligand pose in the active site do not correlate strongly with the correct kinase conformational state, motivating a new set of dynamical benchmarks for assessing cofolding models. While all four cofolding models achieve ~60–80% prediction accuracy for kinase conformational classification, they exhibit severe mode collapse when performing multiple inferences, show negligible structural diversity in sampling induced-fit motions, and display a prevalent “apo-drift” in which most cofolding models predominantly predict the kinase to be in its ligand-free state. Our results highlight that capturing ligand-induced protein conformational diversity, not just geometric fit, is critical for next-generation structure-based drug discovery.

Sun, Kunyang↗
DOE OSTI2026

HARMONY: Large-Scale Architecture Search for Efficient Hybrid Language Models

As large language models scale to trillions of parameters, their computational and memory requirements present critical challenges for efficient training and deployment. While Mixture of Experts (MoE) architectures enable efficient scaling through sparse parameter activation, and state-space models like Mamba offer linear-time complexity, principled methods for combining these paradigms remain undeveloped. We introduce HARMONY (Hybrid Architecture Research for Mamba, Optimized with Neural efficiencY), a multi-objective evolutionary neural architecture search framework for discovering efficient hybrid language models that integrate Transformer attention mechanisms, Mixture-of-Experts routing, and Mamba state-space components. Through large-scale distributed search using 16,384 MI250X GPUs on the Frontier supercomputer, HARMONY explores a comprehensive design space encompassing six attention variants (MHA, MQA, GQA, MLA, SWA, and Mamba-2), variable MoE configurations with both routed and shared experts, and extensive Mamba hyperparameters. Our framework discovers heterogeneous architectures that balance training performance with computational efficiency through multi-objective optimization incorporating latency penalties and fitness-based selection. Analysis of discovered architectures reveals that optimal hybrid designs favor heterogeneous component mixing rather than homogeneous patterns, with Mamba-2 and Multi-Head Latent Attention (MLA) emerging as preferred mechanisms. Discovered architectures demonstrate superior training efficiency: our best configuration achieves a final perplexity of 1.0874 with 2.38B parameters while processing 4,320 tokens/second, outperforming significantly larger manually designed models. Full-scale evaluation shows HARMONY's top architectures achieve better loss trajectories than equivalently-sized models using state-of-the-art configurations including Mixtral, Jamba, and Samba. Additionally, we demonstrate 91% weak scaling efficiency when training discovered 36B-parameter models across 1,024 GPUs. HARMONY is released as an open framework with comprehensive tools for building and training hybrid models using expert-data-pipeline parallelism, democratizing access to automated architecture design for next-generation language models.

Herron, Emily [ORNL] (ORCID:0000000273008172)↗
DOE OSTI2024

Development of a rate-based ENRTL-RK process model for a water-lean solvent

Advanced water-lean solvents (WLS) for post-combustion CO2 capture offer several advantages over the aqueous amine solvents . WLS have lower parasitic energy penalty, lower corrosion, lower temperature and high-pressure CO2 regeneration leading to lower cost of CO2 capture. RTI International, with funding from the US Department of Energy, has been developing its novel water-lean solvent, that has shown specific reboiler duty of 2.3 GJ/t-CO2 at the 60-kWe pilot testing unit (Tiller Plant, SINTEF, Norway) and 2.6 GJ/t-CO2 at the engineering scale testing system (12 MWe) at the Technology Centre Mongstad (TCM) in Norway. All heat duties, including the one from TCM testing, were consistent with Aspen Plus modeling of the specific configuration of each test plant. This work focuses on the development of a detailed process model using in-house laboratory measurements and process data at pilot scale. The eNTRL-RK model used in this work is based on an unsymmetric activity coefficient model with the reference states chosen to be pure liquids for solvents and ideal dilute solution at unit solute molality (resulting in activity coefficient of unity at infinite dilution) for electrolytes. It uses the Redlich-Kwong equation of state for vapor phase properties and Henry’s law for solubility of supercritical gases. The model was validated using process data from the pilot-scale campaign at the Tiller plant, and the engineering scale test campaign at TCM. Data on CO2 capture rate, absorber, and regenerator temperature profiles and specific reboiler duties from two different test campaigns at Tiller and TCM, were used to further refine and validate the model and the model compares favorably to experimental data. The validation results against TCM campaign will be presented in this work.

CO2 capture↗
NASA NTRS1995

Analytical investigations in aircraft and spacecraft trajectory optimization and optimal guidance

A collection of analytical studies is presented related to unconstrained and constrained aircraft (a/c) energy-state modeling and to spacecraft (s/c) motion under continuous thrust. With regard to a/c unconstrained energy-state modeling, the physical origin of the singular perturbation parameter that accounts for the observed 2-time-scale behavior of a/c during energy climbs is identified and explained. With regard to the constrained energy-state modeling, optimal control problems are studied involving active state-variable inequality constraints. Departing from the practical deficiencies of the control programs for such problems that result from the traditional formulations, a complete reformulation is proposed for these problems which, in contrast to the old formulation, will presumably lead to practically useful controllers that can track an inequality constraint boundary asymptotically, and even in the presence of 2-sided perturbations about it. Finally, with regard to s/c motion under continuous thrust, a thrust program is proposed for which the equations of 2-dimensional motion of a space vehicle in orbit, viewed as a point mass, afford an exact analytic solution. The thrust program arises under the assumption of tangential thrust from the costate system corresponding to minimum-fuel, power-limited, coplanar transfers between two arbitrary conics. The thrust program can be used not only with power-limited propulsion systems, but also with any propulsion system capable of generating continuous thrust of controllable magnitude, and, for propulsion types and classes of transfers for which it is sufficiently optimal the results of this report suggest a method of maneuvering during planetocentric or heliocentric orbital operations, requiring a minimum amount of computation; thus uniquely suitable for real-time feedback guidance implementations.

Markopoulos, Nikos↗
DOE OSTI2024

Learning protocols for the fast and efficient control of active matter

Exact analytic calculation shows that optimal control protocols for passive molecular systems often involve rapid variations and discontinuities. However, similar analytic baselines are not generally available for active-matter systems, because it is more difficult to treat active systems exactly. Here we use machine learning to derive efficient control protocols for active-matter systems, and find that they are characterized by sharp features similar to those seen in passive systems. We show that it is possible to learn protocols that effect fast and efficient state-to-state transformations in simulation models of active particles by encoding the protocol in the form of a neural network. We use evolutionary methods to identify protocols that take active particles from one steady state to another, as quickly as possible or with as little energy expended as possible. Our results show that protocols identified by a flexible neural-network ansatz, which allows the optimization of multiple control parameters and the emergence of sharp features, are more efficient than protocols derived recently by constrained analytical methods. Our learning scheme is straightforward to use in experiment, suggesting a way of designing protocols for the efficient manipulation of active matter in the laboratory.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS2024

Crew State and Risk Model Development to Predict Hydration Status During Extravehicular Activity Training Events

Introduction: Hydration is critical for optimal human health and performance and dehydration can lead to impaired cardiovascular function, thermal dysregulation, decreased blood plasma volume, and cognitive impacts, particularly during physical activity. Prolonged and repeated extravehicular activities (EVA) without sufficiently available drinking water may increase risk for dehydration, which could impair crew health and impact mission success. Understanding hydration needs and potential effects on health and performance are necessary to optimize crew well-being and enable successful EVA objectives. This study aims to develop a model of hydration status during EVA using water balance techniques. Methods: Water balance measures were collected on 15 healthy astronauts who performed ≈6-hour simulated microgravity extravehicular activity (EVA) training in the NASA Neutral Buoyancy Laboratory (NBL). Data collected included pre-and post-EVA nude body weight (BW), maximum absorption garment (MAG) weight, Disposable In-suit Drink Bag (DIDB) weight, urine specific gravity (USG), and extra pre-EVA intake (W). Variables were combined to create the water balance model as pre-EVA (Hn)= BWn+ MAGn+ DIDBn+ Wnand post EVA (Hn+1) = BWn+1+ MAGn+1+ DIDBn+1. Urine specific gravity values were used to refine water balance measures into hydration categories: Hydrated, Marginally Hydrated, and Dehydrated. Results: Pre-EVA modeling indicated53% of crew were hydrated, 20% were marginally hydrated, and 27% were dehydrated. Alternately, Hn+1 showed 13% of crew remained hydrated, 47% were marginally hydrated, and 40% were dehydrated at the end of the EVA. Furthermore, 75% of the crewmembers who started sufficiently hydrated finished the run marginally hydrated or dehydrated. According to USG indices presented by Casa and Lawrence, et al. (2000), only 25% of the crew started and remained hydrated throughout the EVA, and those who were dehydrated at the outset stayed dehydrated. Conclusion: Model outcomes assessing hydration status during 6-hour simulated microgravity EVAs demonstrate the necessity to further address hydration requirements for optimal human performance during spaceflight and EVA. This study enables additional baseline development of the Crew State and Risk Model Hydration, Nutrition, and Waste Management component that aims to provide individualized crew state and risk predictions during EVAs. Reference: Casa, D. J., Armstrong, L. E., et al. (2000). National Athletic Trainers’ Association Position Statement: Fluid Replacement for Athletes. Journal of Athletic Training, 35:212-224.

L Cooper↗