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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Electrochemical-Mechanical Coupling Strongly Affects the Performance of Nanopore, Thin-Film, and Solid-State Batteries

Here, the present study focuses on the electrochemical-mechanical (ECM) coupling effects of a thin-film, solid-state battery with only stiff, ceramic materials, in contrast to prior investigations that focus on individual active material particles or aggregations of particles. We model the impacts of ECM couplings including stress-transport and stress-equilibrium potential on the full-cell performance and potential mechanical failure modes of a thin-film battery conformally deposited in a nanopore scaffold, which is an experimentally achievable device. Model results indicate electrode volume changes due to lithium insertion or removal, along with mechanical boundary conditions, result in stress gradients that alter the lithium-ion flux, reduce lithium concentration gradients, and improve cell rate capability. However, the high stress levels in the cell can also lead to mechanics-related failure such as the separation of cell layers. For the parameter set in this work, stress-transport coupling has a much greater influence on rate capability than stress-potential coupling. Optimization of thin-film batteries to harness the benefits of ECM coupling effects requires leveraging geometric design and material selection. The current work underscores the need for further theoretical and experimental investigation into ECM coupling effects in thin-film batteries to enhance their understanding and design optimization.

25 ENERGY STORAGE↗
DOE OSTI2021

Development of a new control rod drive mechanism design for the ISU AGN-201M reactor

The Aerojet General Nucleonics (AGN) model 201-Modified, known as the AGN-201M reactor, plays an essential role in the educational and research activities at Idaho State University (ISU). The ISU AGN-201M's original Control Rod Drive Mechanism (CRDM) has been in operation for more than fifty years with no large-scale redesigns. The CRDM is required to eject the fuel rods within one second during a SCRAM event (also known as a 'reactor trip') and adjust the control rods' insertion speed, and keeps the rod insertion sequence correct. The existing control rod drive mechanisms meet these criteria but experience a few concerns due to aging. Concerns include complex maintenance and costly repairs for old electromechanical components, rod position feedback errors, and the impediment of the plate during a SCRAM due to binding of the lead screws of the existing mechanism. During a binding event, the drive mechanism becomes locked, preventing the control rod's magnetic plate from moving in or out under the reactor's normal and emergency operating conditions. Although, the binding has no effect on the ability of the rod to exit the core during the SCRAM. To counteract the concerns and issues with the current CRDM, a new design has been proposed using newer components and a simplified design. The new design utilizes more advanced electric and mechanical components that are commercially available. The new CRDM system is divided into four main aspects: (1) control rod movement design (motor, lead screw, guide rods), (2) control rod ejection (springs, electromagnet), (3) control rod position and feedback (position transducer, microswitches), and (4) material selection and structural analysis. The new design aims to reduce the overall complexity and probability of failure to improve the reactor's overall reliability. With proper material selection and improved structural design, the new drives are lighter with little to no change in structural integrity. The new control rod drive mechanism eliminates binding scenarios by using a single lead screw and implementing additional guide rods. An advanced linear position sensor and microswitches replace the existing and aging synchro system for accurate rod position feedback resulting in better reactivity control. The new design meets the reactor's operational limits by having an average reactivity insertion of 0.065% Δk/k per second, which corresponds to a total control rod insertion time of 19.23 s, while the control rod's ejection time remains less than one second during a SCRAM event. The new design ensures the reactor's long-term viability for educational and research activities by increasing the reliability and safety of operation for years to come.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Effect of specific non-pharmaceutical intervention policies on SARS-CoV-2 transmission in the counties of the United States

Non-pharmaceutical interventions (NPIs) remain the only widely available tool for controlling the ongoing SARS-CoV-2 pandemic. We estimated weekly values of the effective basic reproductive number (R eff ) using a mechanistic metapopulation model and associated these with county-level characteristics and NPIs in the United States (US). Interventions that included school and leisure activities closure and nursing home visiting bans were all associated with a median R eff below 1 when combined with either stay at home orders (median R eff 0.97, 95% confidence interval (CI) 0.58–1.39) or face masks (median R eff 0.97, 95% CI 0.58–1.39). While direct causal effects of interventions remain unclear, our results suggest that relaxation of some NPIs will need to be counterbalanced by continuation and/or implementation of others.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Singlet Fission

This report summarizes key findings from DOE Award DE‑SC0007004 – Singlet Fission, documenting more than a decade of research led by Professor Josef Michl. The project advanced foundational understanding of singlet fission (SF) through integrated synthetic, spectroscopic, crystallographic, and computational studies. Across a diverse set of chromophores—including tetracenes, cibalackrot derivatives, BODIPY dimers, TDPPs, and fluorinated isobenzofurans—the team identified structural and packing features that enable or inhibit SF, clarified the roles of charge‑transfer intermediates and excimer formation, and developed simplified theoretical models and computational screening tools for predicting optimal geometries and excited‑state-energetics. The work significantly broadened design principles for SF‑active materials and provided insights relevant to next‑generation solar energy conversion and molecular photophysics.

14 SOLAR ENERGY↗
NASA NTRS1972

High-pressure liquid-monopropellant strand combustion.

Examination of the influence of dissolved gases on the state of the liquid surface during high-pressure liquid-monopropellant combustion through the use of a strand burning experiment. Liquid surface temperatures were measured, using fine-wire thermocouples, during the strand combustion of ethyl nitrate, normal propyl nitrate, and propylene glycol dinitrate at pressures up to 81 atm. These measurements were compared with the predictions of a variable-property gas-phase analysis assuming an infinite activation energy for the decomposition reaction. The state of the liquid surface was estimated using a conventional low-pressure phase equilibrium model, as well as a high-pressure version that considered the presence of dissolved combustion-product gases in the liquid phase. The high-pressure model was found to give a superior prediction of measured liquid surface temperatures. Computed total pressures required for the surface to reach its critical mixing point during strand combustion were found to be in the range from 2.15 to 4.62 times the critical pressure of the pure propellant. Computed dissolved gas concentrations at the liquid surface were in the range from 35 to 50% near the critical combustion condition.

Faeth, G. M.↗
NASA NTRS1975

The operator's emotional stability

An attempt is made to provide a psychological interpretation of the concept of emotional stability in connection with other psychics qualities of an operator's personality. Emotional stability is understood as a person's capacity to control his emotional state for the purpose of maintaining the necessary level of work performance under extreme stress conditions. By modeling the operator's sensorimotor activity and by comparing the productivity indicators under ordinary conditions with those obtained during work involving an emotional load, the level of emotional stability can be determined.

Zilberman, P. B.↗
NASA NTRS1974

The reconnecting magnetosphere

The terms closed and open magnetosphere are defined. It appears that some kind of open model is effective during dynamically active periods. The conditions of the closed magnetosphere can possibly prevail during quiet periods. The steady-state open magnetosphere is discussed along with nonsteady effects, field reconnection geometries, and limits on reconnection. The magnetopause structure is examined and attention is given to steady and nonsteady magnetospheric convection.

Sonnerup, B. U. O.↗
NASA NTRS1983

Projecting manpower to attain quality

The resulting model is useful as a projection tool but must be validated in order to be used as an on-going software cost engineering tool. A procedure is developed to facilitate the tracking of model projections and actual data to allow the model to be tuned. Finally, since the model must be used in an environment of overlapping development activities on a progression of software elements in development and maintenance, a manpower allocation model is developed for use in a steady state development/maintenance environment. In these days of soaring software costs it becomes increasingly important to properly manage a software development project. One element of the management task is the projection and tracking of manpower required to perform the task. In addition, since the total cost of the task is directly related to the initial quality built into the software, it becomes a necessity to project the development manpower in a way to attain that quality. An approach to projecting and tracking manpower with quality in mind is described.

Rone, K. Y.↗
NASA NTRS1992

Improvement of the Earth's gravity field from terrestrial and satellite data

The determination of the Earth's gravitational potential can be done through the analysis of satellite perturbations, the analysis of surface gravity data, or both. The combination of the two data types yields a solution that combines the strength of each method: the longer wavelength strength in the satellite analysis with the better high frequency information from surface gravity data. Since 1972, Ohio State has carried out activities that have provided surface gravity data to a number of organizations who have developed combination potential coefficient models that describe the Earth's gravitational potential.

Rapp, Richard H.↗
NASA NTRS2004

Turbofan Engine Simulated in a Graphical Simulation Environment

Recently, there has been an increase in the development of intelligent engine technology with advanced active component control. The computer engine models used in these control studies are component-level models (CLM), models that link individual component models of state space and nonlinear algebraic equations, written in a computer language such as Fortran. The difficulty faced in performing control studies on Fortran-based models is that Fortran is not supported with control design and analysis tools, so there is no means for implementing real-time control. It is desirable to have a simulation environment that is straightforward, has modular graphical components, and allows easy access to health, control, and engine parameters through a graphical user interface. Such a tool should also provide the ability to convert a control design into real-time code, helping to make it an extremely powerful tool in control and diagnostic system development. Simulation time management is shown: Mach number versus time, power level angle versus time, altitude versus time, ambient temperature change versus time, afterburner fuel flow versus time, controller and actuator dynamics, collect initial conditions, CAD output, and component-level model: CLM sensor, CAD input, and model output. The Controls and Dynamics Technologies Branch at the NASA Glenn Research Center has developed and demonstrated a flexible, generic turbofan engine simulation platform that can meet these objectives, known as the Modular Aero-Propulsion System Simulation (MAPSS). MAPSS is a Simulink-based implementation of a Fortran-based, modern high pressure ratio, dual-spool, low-bypass, military-type variable-cycle engine with a digital controller. Simulink (The Mathworks, Natick, MA) is a computer-aided control design and simulation package allows the graphical representation of dynamic systems in a block diagram form. MAPSS is a nonlinear, non-real-time system composed of controller and actuator dynamics (CAD) and component-level model (CLM) modules. The controller in the CAD module emulates the functionality of a digital controller, which has a typical update rate of 50 Hz. The CLM module simulates the dynamics of the engine components and uses an update rate of 2500 Hz, which is needed to iterate to balance mass and energy among system components. The actuators in the CAD module use the same sampling rate as those in the CLM. Two graphs of normalized spool speed versus time in seconds and one graph of normalized average metal temperature versus time in seconds is shown. MAPSS was validated via open-loop and closed-loop comparisons with the Fortran simulation. The preceding plots show the normalized results of a closed-loop comparison looking at three states of the model: low-pressure spool speed, high-pressure spool speed, and the average metal temperature measured from the combustor to the high-pressure turbine. In steady state, the error between the simulations is less than 1 percent. During a transient, the difference between the simulations is due to a correction in MAPSS that prevents the gas flow in the bypass duct inlet from flowing forward instead of toward the aft end, which occurs in the Fortran simulation. A comparison between MAPSS and the Fortran model of the bypass duct inlet flow for power lever angles greater than 35 degrees is shown.

Parker, Khary I.↗
NASA NTRS2010

Automatic Review of Abstract State Machines by Meta Property Verification

A model review is a validation technique aimed at determining if a model is of sufficient quality and allows defects to be identified early in the system development, reducing the cost of fixing them. In this paper we propose a technique to perform automatic review of Abstract State Machine (ASM) formal specifications. We first detect a family of typical vulnerabilities and defects a developer can introduce during the modeling activity using the ASMs and we express such faults as the violation of meta-properties that guarantee certain quality attributes of the specification. These meta-properties are then mapped to temporal logic formulas and model checked for their violation. As a proof of concept, we also report the result of applying this ASM review process to several specifications.

Arcaini, Paolo↗
DOE OSTI2026

Passive Microwave Radiometry and Active Radar Sounding as Complementary Tools for Geophysical Investigations of Icy Ocean Worlds

Juno Microwave Radiometer (MWR) observations of Europa and Ganymede offer critical insights into the icy shells of these moons ahead of NASA's Europa Clipper and ESA's JUpiter ICy moons Explorer (JUICE) missions. Both missions are equipped with active radar sounders designed to address key unknowns such as ice shell thickness, thermal state, and composition. In this study, we explore how passive microwave radiometry and active radar sounding can constrain ice shell properties, focusing on Europa. Using modeled microwave brightness temperature observations at 0.6 and 1.2 GHz alongside simulated radar attenuation rate observations, we show that each instrument can independently produce robust ice shell thickness constraints under idealized conditions. We then relax these assumptions, quantifying how uncertainties from non-ideal properties—including convective layers, freezing-point depression, and chloride-doped ice—affect thickness estimates. Finally, we demonstrate how combining observations from these complementary techniques breaks degeneracies between ice shell properties, enabling more robust constraints than either method alone. This approach will maximize the science return of Europa Clipper and JUICE, advancing our understanding of the thermophysical structure and habitability of icy ocean worlds.

58 GEOSCIENCES↗
DOE OSTI2020

Update to the Phase II Corrective Action Investigation Plan for Corrective Action Units 101 and 102, Central and Western Pahute Mesa, Nevada National Security Site, Nye County, Nevada

This report is an update to the Phase II Corrective Action Investigation Plan for Corrective Action Units 101 and 102: Central and Western Pahute Mesa, Nevada Test Site, Nye County, Nevada (NNSA/NSO, 2009) activities resulting from data collection and analysis conducted between 2009 and 2019. This report contains two sections: (1) a summary of how the new data have informed the updated approach to complete the characterization activities under the corrective action investigation (CAI), and (2) a table documenting the specific activities identified in the CAIP with a status and expected outcome of each activity (see Table A-1 in Appendix A). As stated in Sections 1.5 and 1.5.1 of the CAIP, the CAIP was conceptualized to be iterative, with continuous review and assessment of the data, data analysis, and modeling to provide a guide for decisions regarding additional work. This report provides the revised plan, based on an assessment of the data, to complete the characterization activities identified in the CAIP.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Improved accuracy and transferability of molecular-orbital-based machine learning: Organics, transition-metal complexes, non-covalent interactions, and transition states

We report molecular-orbital-based machine learning (MOB-ML) provides a general framework for the prediction of accurate correlation energies at the cost of obtaining molecular orbitals. The application of Nesbet’s theorem makes it possible to recast a typical extrapolation task, training on correlation energies for small molecules and predicting correlation energies for large molecules, into an interpolation task based on the properties of orbital pairs. We demonstrate the importance of preserving physical constraints, including invariance conditions and size consistency, when generating the input for the machine learning model. Numerical improvements are demonstrated for different datasets covering total and relative energies for thermally accessible organic and transition-metal containing molecules, non-covalent interactions, and transition-state energies. MOB-ML requires training data from only 1% of the QM7b-T dataset (i.e., only 70 organic molecules with seven and fewer heavy atoms) to predict the total energy of the remaining 99% of this dataset with sub-kcal/mol accuracy. This MOB-ML model is significantly more accurate than other methods when transferred to a dataset comprising of 13 heavy atom molecules, exhibiting no loss of accuracy on a size intensive (i.e., per-electron) basis. It is shown that MOB-ML also works well for extrapolating to transition-state structures, predicting the barrier region for malonaldehyde intramolecular proton-transfer to within 0.35 kcal/mol when only trained on reactant/product-like structures. Finally, the use of the Gaussian process variance enables an active learning strategy for extending the MOB-ML model to new regions of chemical space with minimal effort. We demonstrate this active learning strategy by extending a QM7b-T model to describe non-covalent interactions in the protein backbone–backbone interaction dataset to an accuracy of 0.28 kcal/mol.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Modelling of piezoelectric actuator dynamics for active structural control

The paper models the effects of dynamic coupling between a structure and an electrical network through the piezoelectric effect. The coupled equations of motion of an arbitrary elastic structure with piezoelectric elements and passive electronics are derived. State space models are developed for three important cases: direct voltage driven electrodes, direct charge driven electrodes, and an indirect drive case where the piezoelectric electrodes are connected to an arbitrary electrical circuit with embedded voltage and current sources. The equations are applied to the case of a cantilevered beam with surface mounted piezoceramics and indirect voltage and current drive. The theoretical derivations are validated experimentally on an actively controlled cantilevered beam test article with indirect voltage drive.

Hagood, Nesbitt W.↗
DOE OSTI2021

USAMP Low-Cost Mg Sheet Component Development and Demonstration Project

The overarching objective of this USAMP project was to develop and demonstrate door panels made from magnesium (Mg) sheet with a cost penalty over conventional steel stampings of no more than $\$5.50$/kg saved. The technical approach integrated experiments with advanced computational tools based on Integrated Computational Materials Engineering (ICME) methods to develop new alloy chemistries and their thermomechanical processing that promise improved formability and lower forming temperatures. A penultimate task before finally forming the stampings was to incorporate actual microstructure into models that would enable formability simulations. This approach would, for the first time, account for individual magnesium grains moving in an anisotropic fashion unlike that for aluminum or steel that have isotropic properties upon which the current simulation tools are based. In separate activities, new coatings and lubricants to facilitate forming and improved corrosion protection and joining strategies, were developed to ensure that the door could be produced with stated product requirements. A technical cost model, which included parts production, assembly, and paint for a door specifically designed for Mg sheet, showed the cost penalty to be between $\$4.26$ to $\$6.60$/kg saved, which enveloped the project’s cost targets. The cost of the coated Mg sheet was identified as the key driver for the cost penalty. The mass of the Mg-intensive door was 7.9 kg, which was 54% less than the baseline steel door.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Low-Cost Magnesium Alloy Sheet Component Development and Demonstration Project

The overarching objective of this USAMP project was to develop and demonstrate door panels made from magnesium (Mg) sheet with a cost penalty over conventional steel stampings of no more than $5.50/kg saved. The technical approach integrated experiments with advanced computational tools based on Integrated Computational Materials Engineering (ICME) methods to develop new alloy chemistries and their thermomechanical processing that promise improved formability and lower forming temperatures. A penultimate task before finally forming the stampings was to incorporate actual microstructure into models that would enable formability simulations. This approach would, for the first time, account for individual magnesium grains moving in an anisotropic fashion unlike that for aluminum or steel that have isotropic properties upon which the current simulation tools are based. In separate activities, new coatings and lubricants to facilitate forming and improved corrosion protection and joining strategies, were developed to ensure that the door could be produced with stated product requirements. A technical cost model, which included parts production, assembly, and paint for a door specifically designed for Mg sheet, showed the cost penalty to be between 4.26 USD to 6.60 USD/kg saved, which enveloped the project’s cost targets. The cost of the coated Mg sheet was identified as the key driver for the cost penalty. The mass of the Mg-intensive door was 7.9 kg, which was 54% less than the baseline steel door.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Macromolecular recognition: Structural aspects of the origin of the genetic system

Theoretical simulation of prebiotic chemical processes is an invaluable tool for probing the phenomenon of evolution of life. Using computational and modeling techniques and guided by analogies from present day systems we, seek to understand the emergence of genetic apparatus, enzymatic catalysis and protein synthesis under prebiotic conditions. In one possible scenario, the RNA enzymatic reaction plays a key role in the emergence of the self-replicating and offers a clue to the onset of enzymatic catalysis prior to the existence of the protein biosynthetic machinery. Our ultimate goal is to propose a simple RNA segment which contains the specificity and catalytic activity of the contemporary RNA enzyme and which could emerge in a primordial chemical environment. To understand the mechanism of ribozyme catalyzed reactions, ab initio and semi-empirical (ZINDO) programs were used to investigate the reaction path of transphosphorylation. A special emphasis was placed on the possible catalytic and structural roles played by the coordinated magnesium cation. Both the inline and adjacent mechanisms of transphosphorylation have been studied. Another important aspect of this reaction is the identity of the functional groups which are essential for the acid base catalysis. The structural characteristics of the target helices, particularly a possible role of G center dot T pair, is under examination by molecular dynamics (MD) simulation technique. Modeling of the ancestral aminoacyl-tRNA synthetases (aRS) may provide important clues to the emergence of the genetic code and the protein synthetic machinery. Assuming that the catalytic function evolved before the elements of specific recognition of a particular amino acid, we are exploring the minimal structural requirements for the catalysis of tRNA aminoacylation. The molecular modeling system SYBYL was used for this study based on the high resolution crystallographic structures of the present day tyrosyl-adenylate:tyrRS and tRNA(Gln): ATP:glnRS complexes. The trinucleotide CCA of the 3'-end tRNA is placed into the active site pocket of tyrRS, based on the scheme of interaction between tRNA(Gln) and glnRS, and upon the stereochemistry of the tyrRS:tRNA:Tyr-AMP transition state. This provides a model of the non-specific recognition of a tRNA's 3'-end by an aRS, which might be similar to that of the ancestral aRS's. In the next step, modeling of the rest of the acceptor stem of tRNA (Tyr) with tyrRS is carried out.

Rein, Robert↗