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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Reconstruction of effective potential from statistical analysis of dynamic trajectories

The broad incorporation of microscopic methods is yielding a wealth of information on the atomic and mesoscale dynamics of individual atoms, molecules, and particles on surfaces and in open volumes. Analysis of such data necessitates statistical frameworks to convert observed dynamic behaviors to effective properties of materials. Here, we develop a method for the stochastic reconstruction of effective local potentials solely from observed structural data collected from molecular dynamics simulations (i.e., data analogous to those obtained via atomically resolved microscopies). Using the silicon vacancy defect in graphene as a model, we apply the statistical framework presented herein to reconstruct the free energy landscape from the calculated atomic displacements. Evidence of consistency between the reconstructed local potential and the trajectory data from which it was produced is presented, along with a quantitative assessment of the uncertainty in the inferred parameters.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Reflectin: Protein Driver of Dynamically Tunable Biophotonics; New Paradigm for Tunably Reconfigurable Materials

We discovered that the reflectins, with architecture and sequences unlike those of any other proteins known, exhibit a novel interplay between signal-controlled nucleation and growth of dynamically arrested liquid-liquid phase-segregated assemblies that uniquely enables the continuous and precise fine-tuning of physical properties governing the color and brightness of light reflected from the membrane-enclosed nanostructures that contain them. Our research included high-resolution structural analyses conducted at the DOE-BES user facilities of the Stanford Synchrotron Light Source and LBL National Laboratory’s Molecular Foundry, leveraging their capabilities for time-resolved SAXS and cryo-TEM with our ongoing genetic engineering, biophysical and computational analyses to identify the structural determinants and mechanisms governing the dynamic behaviors of the reflectins. We augmented these methods with EPR analyses that revealed for the first time the existence of a specific pathway of reflectin assembly. Using dynamic light scattering and continuously monitored circular dichroism and Raman microscopy, we elucidated the progression of structural changes underlying the mechanisms of signal-induced condensation, folding, assembly, liquefaction, dynamic arrest, regulation and reversal.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1990

Microdynamic modelling of joint-dominated truss-based structures

A methodology for the mathematical modeling of preloaded joint-dominated truss-based space structures applicable in the microdynamic regime is presented. First, various factors which could affect the microdynamic behavior of joint-dominated truss structures are examined. Then, mathematical models for various types of joints involving contact deformations are derived from Hertzian contact theory. Their dynamic behavior is studied analytically and numerically by means of computer simulation. It was found that both synchronous and asynchronous oscillations having the same orders of magnitude are excited by sinusoidal load perturbations in the microdynamic regime. These oscillations persist even in the presence of light linear damping. The integration of the derived joint models with those for the elastic links of preloaded planar truss structures is discussed.

Wang, P. K. C.↗
DOE OSTI2025

Mesoporous Thin Film Architectures: Addressing Material Demands through Molecular Self-Assembly

Mesoporous thin films spark interest across a wide range of disciplines due to their tunable nanostructures, large internal surface areas, and strong compatibility with planar optical, electronic, and microfluidic devices. While attention in the porous materials community has shifted toward macroporous or disordered nanoporous systems, a resurgence in mesoporous thin film research is underway, driven by new molecular self-assembly methods, advanced materials chemistry, and improved characterization techniques. The integration of high-χN block copolymer design, kinetically persistent micelle templating, and postdeposition processing protocols now allows control over structural parameters such as pore size, wall thickness, porosity, and connectivity. These advances have overcome many of the thermodynamic and processing constraints that previously limited widespread adoption. Rather than serving only as high-surface-area supports, mesoporous thin films are engineered as active interfaces where responsive chemistries and nanoscale confinement act in tandem. Embedding switchable ligands, thermoresponsive polymers, redox mediators, or ion-selective groups directly within the pore walls enables real-time control over transport, optical, and electrochemical properties. These capabilities open up new directions in adaptive coatings, gated membranes, and fast-response biosensors. To further expand their functional scope, mesoporous films are integrated into hierarchical and multicomponent architectures. Techniques such as triblock terpolymer templating, crack-directed assembly, and nanoimprint lithography allow for control over spatial organization on the micron and submicron scale and pore system orientation. This enables programmable anisotropy, enhanced molecular diffusion, and wavelength-selective photonic behavior, essential for next-generation sensing, catalysis, and energy applications. Such structural and functional complexity requires equally sophisticated characterization. Multimodal and in situ techniques can track material dynamics under operational conditions. Recent progress includes extended-range ellipsometric porosimetry (EP) for hierarchical architectures, vacuum EP for interface energetics, time-resolved EP for diffusion kinetics, and correlative AFM-SAXS mapping. The introduction of advanced neutron-based spectroscopies, particularly quasielastic neutron scattering (QENS), promises to provide real-time access to ion transport dynamics and segmental motion under nanoscale confinement, offering a path toward deeper mechanistic understanding of structure-performance correlations in mesoporous systems. This Account reflects the technical advances made and the interdisciplinary collaborations that have shaped our collective vision. The particular dimensions of mesopores enable us to subtly tune interactions at the molecular, interfacial, and mesoscopic levels that permit us to harness nanoconfinement. What emerges is a versatile, modular platform capable of chemical gating, energy transduction, and sensing with a level of tunability unmatched by other porous materials. We highlight critical challenges including the need for more robust large-area processing, a deeper understanding of dynamic behavior under cycling, and better integration with device-level architectures. Our strategies support the transition of mesoporous thin films into active high-performance components in next-generation energy, environmental, and biomedical systems.

oxides↗
NASA NTRS1979

Measurement of dynamic direct and cross-coupling derivatives due to oscillatory roll

An oscillatory roll apparatus is described with which the complete set of moment and force derivatives due to an oscillation in roll can be obtained in a wind tunnel. A newly developed technique to reduce the dynamic data originating from the four-component balance used with the above apparatus is briefly presented. The technique is intended to account for the dynamic behavior of the model-balance subsystem in the presence of motions in the various degrees of freedom allowed by the balance webs. Finally, results obtained from both dynamic calibration as well as wind-tunnel tests are shown.

Hanff, E. S.↗
NASA NTRS2014

Land Surface Microwave Emissivity Dynamics: Observations, Analysis and Modeling

Land surface microwave emissivity affects remote sensing of both the atmosphere and the land surface. The dynamical behavior of microwave emissivity over a very diverse sample of land surface types is studied. With seven years of satellite measurements from AMSR-E, we identified various dynamical regimes of the land surface emission. In addition, we used two radiative transfer models (RTMs), the Community Radiative Transfer Model (CRTM) and the Community Microwave Emission Modeling Platform (CMEM), to simulate land surface emissivity dynamics. With both CRTM and CMEM coupled to NASA's Land Information System, global-scale land surface microwave emissivities were simulated for five years, and evaluated against AMSR-E observations. It is found that both models have successes and failures over various types of land surfaces. Among them, the desert shows the most consistent underestimates (by approx. 70-80%), due to limitations of the physical models used, and requires a revision in both systems. Other snow-free surface types exhibit various degrees of success and it is expected that parameter tuning can improve their performances.

Modeling↗
DOE OSTI2025

Co-Simulation of PSS/E, OpenDSS, and PSCAD for Power Systems Stability Analysis With Inverter-Based Resources: Preprint

The increasing penetration of inverter-based resources (IBRs) is reshaping the dynamic behavior of power systems. IEEE standard 1547-2018 suggests that distributed energy resources (DERs) should provide grid services such as voltage and frequency supports. On the other hand, dynamic events caused by IBRs such as sub-synchronous oscillation have been reported. These developments necessitate improvement in the current modeling capabilities to better understand the interdependencies within power systems. These include interactions between transmission and distribution systems, among IBRs themselves, and between IBRs and conventional resources. In this paper, we present a co-simulation model integrating PSS/E, OpenDSS, and PSCAD to analyze IBR impacts on the stability of transmission and distribution systems. A key challenge in developing a co-simulation model is ensuring interoperability among different simulators (interfacing and data flow) while maintaining accurate results. Using the developed model, we simulate the impact of IBRs on power systems in two test cases: 1) fault ride through (FRT) capability during a generation trip contingency; 2) IBR-induced sub-synchronous oscillation. The results show the effectiveness of the co-simulation model.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Time-resolved electrical potential pump – X-ray photoelectron spectroscopy probe developments for investigating dynamic processes occurring at electrochemical interfaces

Electrode–electrolyte interfaces are of critical importance in several fields, including renewable energy, corrosion, and environmental chemistry. However, investigating these interfaces under operational conditions poses considerable challenges due to the limitations of the instrumentation employed. While recent advancements in in situ and operando techniques have enhanced our comprehension of the steady-state properties of solid-liquid interfaces, the dynamic behaviors of these systems remain inadequately explored. This study introduces a time-resolved X-ray photoelectron spectroscopy (XPS) technique designed to capture transient reaction intermediates and charging dynamics at electrified interfaces. The presented proof-of-principle study demonstrates that electrochemical processes, represented by an equivalent electrical circuit (EEC) model, can be probed and understood using square wave voltage pulses of a potentiostat synchronized to the modified data acquisition of an XPS setup. This method offers a valuable alternative to traditional pump–probe techniques, facilitating the investigation of a broader range of electrochemical systems. A dedicated software package for analyzing time- and energy-resolved XPS with a focus on extracting parameters of the EEC is geared towards benchmarking different EECs in future real-world electrochemical experiments.

Electrochemistry↗
DOE OSTI2026

Tandem bulk oxygen diffusion and surface reactions in reducible metal oxides control redox cycle dynamics

The interplay between bulk oxygen diffusion and surface reactions in reducible metal oxides is key in heterogeneous catalysts, but direct measurements of oxygen mobility, transient kinetics, and in situ spectroscopies have been lacking. Here, we reveal complex dynamic behavior of ceria-zirconia by H 2 using transient kinetics via mass spectrometry and in situ Raman and near-ambient pressure x-ray photoelectron spectroscopies. Molecular dynamics simulations with a machine learning potential delineate competitive oxygen diffusion mechanisms, with an optimal mobility at intermediate reductions. We expose a compensation between vacancy availability and lattice distortion at intermediate to high reductions and Frenkel defects at low reductions, underscoring a potential deficiency of 16 O/ 18 O exchange experiments in deducing oxygen mobility. Vacancies in proximity require electron localization on Ce atoms further away. The continuous replenishment of surface oxygen results in a varying reduction rate, with H 2 dissociation being the rate-limiting step. Multiscale transient simulations, consistent with experiments, indicate catalysts of potentially spatially varying oxidation states. The approach is broadly applicable to reducible oxide materials.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Dynamic Validation of CNN-Based Surrogate Models for Inverter-Based Resources in Open-Source Solvers

Traditionally, distribution system planning has focused on steady-state analyses, with limited consideration of dynamic behavior. However, as large or medium-scale inverter-based resources (IBRs), particularly grid-following (GFL) inverters in commercial or industry buildings, become more prevalent, understanding their dynamic impact is essential for grid planning and operation. This article presents an innovative deep-learning (DL)-approach using convolutional neural networks technique to model the GFL inverters. Developed from real grid-tied commercial IBR transient data, these dynamic DL models overcome proprietary constraints by requiring minimal knowledge of internal converter physics while maintaining high accuracy and flexibility. To demonstrate their applicability, the models were incorporated into GridLAB-D, an open-source, three-phase distribution analysis tool. This integration enables dynamic simulations of large-scale distribution networks with high IBR penetration stability analysis. Rigorous testing and validation, aligned with industry standards, confirmed the reliability and efficiency of this approach, paving the way for enhanced planning and operational assessments of modern power systems.

Deep-learning↗
NASA NTRS1996

Behavioral Implications of Piezoelectric Stack Actuators for Control of Micromanipulation

A lumped-parameter model of a piezoelectric stack actuator has been developed to describe actuator behavior for purposes of control system analysis and design, and in particular for microrobotic applications requiring accurate position and/or force control. In addition to describing the input-output dynamic behavior, the proposed model explains aspects of non-intuitive behavioral phenomena evinced by piezoelectric actuators, such as the input-output rate-independent hysteresis and the change in mechanical stiffness that results from altering electrical load. The authors incorporate a generalized Maxwell resistive capacitor as a lumped-parameter causal representation of rate-independent hysteresis. Model formulation is validated by comparing results of numerical simulations to experimental data.

Goldfarb, Michael↗
NASA NTRS2007

Computational Modeling Develops Ultra-Hard Steel

Glenn Research Center's Mechanical Components Branch developed a spiral bevel or face gear test rig for testing thermal behavior, surface fatigue, strain, vibration, and noise; a full-scale, 500-horsepower helicopter main-rotor transmission testing stand; a gear rig that allows fundamental studies of the dynamic behavior of gear systems and gear noise; and a high-speed helical gear test for analyzing thermal behavior for rotorcraft. The test rig provides accelerated fatigue life testing for standard spur gears at speeds of up to 10,000 rotations per minute. The test rig enables engineers to investigate the effects of materials, heat treat, shot peen, lubricants, and other factors on the gear's performance. QuesTek Innovations LLC, based in Evanston, Illinois, recently developed a carburized, martensitic gear steel with an ultra-hard case using its computational design methodology, but needed to verify surface fatigue, lifecycle performance, and overall reliability. The Battelle Memorial Institute introduced the company to researchers at Glenn's Mechanical Components Branch and facilitated a partnership allowing researchers at the NASA Center to conduct spur gear fatigue testing for the company. Testing revealed that QuesTek's gear steel outperforms the current state-of-the-art alloys used for aviation gears in contact fatigue by almost 300 percent. With the confidence and credibility provided by the NASA testing, QuesTek is commercializing two new steel alloys. Uses for this new class of steel are limitless in areas that demand exceptional strength for high throughput applications.

Source record↗
NASA NTRS1992

Multiple frequency interference in photorefractive media

The paper describes the use of a numerical simulation to predict the dynamic behavior of a photorefractive crystal exposed to interfering light waves at two different frequencies. Unlike static recording media, photorefractive materials allow for the simultaneous diffraction from and generation of refractive index gratings. The grating properties are evaluated in terms of their effect on the performance of a dynamic distributed sensor which uses the crystal as a holographic recording medium. Experimental results are presented which support the behavior predicted by simulation.

Cox, David E.↗
DOE OSTI2024

Dynamic Nanocrystal Superlattices with Thermally Triggerable Lubricating Ligands

The size-dependent and collective physical properties of nanocrystals (NCs) and their self-assembled superlattices (SLs) enable the study of mesoscale phenomena and the design of metamaterials for a broad range of applications. However, the limited mobility of NC building blocks in dried NCSLs often hampers the potential for employing postdeposition methods to produce high-quality NCSLs. In this study, we present tailored promesogenic ligands that exhibit a lubricating property akin to thermotropic liquid crystals. The lubricating ability of ligands is thermally triggerable, allowing the dry solid NC aggregates deposited on the substrates with poor ordering to be transformed into NCSLs with high crystallinity and preferred orientations. The interplay between the dynamic behavior of NCSLs and the molecular structure of the ligands is elucidated through a comprehensive analysis of their lubricating efficacy using both experimental and simulation approaches. Coarse-grained molecular dynamic modeling suggests that a shielding layer from mesogens prevents the interdigitation of ligand tails, facilitating the sliding between outer shells and consequently enhancing the mobility of NC building blocks. Further, the dynamic organization of NCSLs can also be triggered with high spatial resolution by laser illumination. The principles, kinetics, and utility of lubricating ligands could be generalized to unlock stimuli-responsive metamaterials from NCSLs and contribute to the fabrication of NCSLs.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1978

A sensitivity analysis for the F100 turbofan engine using the multivariable Nyquist array

In the feedback control design of multivariable systems, closed loop performance evaluations must include the dynamic behavior of variables unavailable to the feedback controller. For the multivariable Nyquist array method, a set of sensitivity functions are proposed to simplify the adjustment of compensator parameters when the dynamic response of the unmeasurable output variables is unacceptable. A sensitivity study to improve thrust and turbine temperature responses for the Pratt-Whitney F100 turbofan engine demonstrates the utility of the proposed method.

Leininger, G. G.↗
NASA NTRS1991

Visualization of DNA molecules in time during electrophoresis

For several years individual DNA molecules have been observed and photographed during agarose gel electrophoresis. The DNA molecule is clearly the largest molecule known. Nevertheless, the largest molecule is still too small to be seen using a microscope. A technique developed by Morikawa and Yanagida has made it possible to visualize individual DNA molecules. When these long molecules are labeled with appropriate fluorescence dyes and observed under a fluorescence microscope, although it is not possible to directly visualize the local ultrastructure of the molecules, yet because they are long light emitting chains, their microscopic dynamical behavior can be observed. This visualization works in the same principle that enables one to observe a star through a telescope because it emits light against a dark background. The dynamics of individual DNA molecules migrating through agarose matrix during electrophoresis have been described by Smith et al. (1989), Schwartz and Koval (1989), and Bustamante et al. (1990). DNA molecules during agarose gel electrophoresis advance lengthwise thorough the gel in an extended configuration. They display an extension-contraction motion and tend to bunch up in their leading ends as the 'heads' find new pores through the gel. From time to time they get hooked on obstacles in the gel to form U-shaped configurations before they resume their linear configuration.

Lubega, Seth↗
NASA NTRS1998

A Parametric Study of Spur Gear Dynamics

A parametric study of a spur gear system was performed through a numerical analysis approach. This study used the gear dynamic program DANST, a computer simulator, to determine the dynamic behavior of a spur gear system. The analytical results have taken the deflection of shafts and bearings into consideration for static analysis, and the influence of these deflections on gear dynamics was investigated. Damping in the gear system usually is an unknown quantity, but it has an important effect in resonance vibration. Typical values as reported in the literature were used in the present analysis. The dynamic response due to different damping factors was evaluated and compared. The effect of the contact ratio on spur gear dynamic load and dynamic stress was investigated through a parameter study. The contact ratio was varied over the range of 1.26 to 2.46 by adjusting the tooth addendum. Gears with contact ratio near 2.0 were found to have the most favorable dynamic performance.

Lin, Hsiang Hsi↗