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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Nonlinear wavepacket dynamics in proximity to a stationary inflection point

A stationary inflection point (SIP) in the Bloch dispersion relation of a periodic waveguide is an exceptional point degeneracy where three Bloch eigenmodes coalesce, forming the so-called frozen mode with a divergent amplitude and vanishing group velocity of its propagating component. For this work, we have developed a theoretical framework to study the time evolution of wavepackets centered at an SIP. Analysis of the evolution of the statistical moment distribution of linear pulses shows a strong deviation from the conventional ballistic wavepacket dynamics in dispersive media. The presence of nonlinear interactions dramatically changes the situation, resulting in a mostly ballistic propagation of nonlinear wavepackets with the speed and even the direction of propagation essentially dependent on the wavepacket amplitude. Such a behavior is unique to nonlinear wavepackets centered at an SIP and can be used for the realization of a novel family of beam power routers for classical waves.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Dynamic Modeling and Characterization of Nuclear-grade Graphite

Idaho National Labs serves as the spearhead for many innovative energy solutions to the world's energy crisis. One such solution is the INL's Microreactor which is designed to deploy to extreme/remote environments where other sources of power are either unavailable or unreliable. In order to best design these energy solutions for their operational environments, it is crucial to understand how the design, components, and materials will respond to the environmental conditions. One key material in these innovative designs is a nuclear-grade graphite known as PCEA. This study examines the behavior of PCEA graphite under dynamic loading, similar to that which may occur in extreme environments. The objective is to characterize the dynamic behavior and produce an accurate, reliable constitutive model suitable for use in simulation tools such as INL's MOOSE. Graphite specimens were tested using a Split Hopkinson Pressure Bar (SHPB) to administer the dynamic compressive load. The SHPB was charged at various pressures to produce a range of strain rates on the material in compression. Data was acquired via strain gauges on the SHPB setup, from which stress, strain, and time data were collected. Analysis revealed the stress-strain behavior of the material as well as insights into the material behavior's relationship to strain rate. Further work must continue to characterize the various other dynamic behaviors of the material which will combine to create a substantially trustworthy constitutive model for this grade of nuclear-grade graphite. Ultimately, this will allow for realistic simulation of the material in reactor designs, allowing for prediction of design weaknesses and leading to improved designs for increased resilience, security, and reliability.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

Theoretical Prediction and Analysis of the UV/Visible Absorption and Emission Spectra of Chiral Carbon Nanorings

In this study, UV/vis absorption and emission spectra of recently synthesized chiral carbon nanorings were simulated using first-principles-based molecular dynamics and time-dependent density functional theory (TD-DFT). The chiral carbon nanorings are derivatives of the [n]cycloparaphenylene ([n]CPP) macrocycles, containing an acene unit such as naphthalene, ([n]CPPN), anthracene ([n]CPPA), and tetracene ([n]CPPT), in addition to n paraphenylene units. In order to study the effect of increasing molecular size on absorption and emission spectra, we investigated the cases where n = 6 and 8. Frontier molecular orbital analysis was carried out to give insight into the degree of excitation delocalization and its relationship to the predicted absorption spectra. The lowest excited singlet state S 1 corresponds to a HOMO–LUMO π–π* transition, which is allowed in all chiral carbon nanorings due to lack of molecular symmetry, in contrast to the forbidden HOMO–LUMO transition in the symmetric [n]CPP molecules. The S 1 absorption peak exhibits a blue-shift with increasing number of paraphenylene units in particular for [n]CPPN and [n]CPPA and less so in the case of [n]CPPT. In the case of CPPN and CPPA, the transition density is mainly localized over a semicircle of the macrocycle with the acene unit in its center but is strongly localized on the tetracene unit in the case of CPPT. Molecular dynamics simulations performed on the excited state potential energy surfaces reveal red-shifted emission of these chiral carbon nanorings when the size of the π-conjugated acene units is increased, although the characteristic [n]CPP blue-shift with increasing paraphenylene unit number n remains apparent. Finally, the anomalous emission blue-shift is caused by the excited state bending and torsional motions that stabilize the π HOMO and destabilize the π* LUMO, resulting in an increasing HOMO–LUMO gap.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Dynamic structural views in solar energy materials by femtosecond electron diffraction

Solar materials convert light into other forms of energy through excited state processes occurring on ultrafast time and atomic length scales. Understanding and controlling such nonequilibrium processes is essential for applications ranging from photovoltaics to photocatalysis. These processes are commonly studied by transient optical techniques, which resolve charge carrier dynamics. However, optical spectroscopy does not directly probe the atomic-scale motions that play a central role in the ultimate functionality of these materials. Filling this missing gap, ultrafast electron and x-ray scattering techniques enable monitoring of structural dynamics in materials with femtosecond time resolution. In this work, we focus on the use of ultrafast electron diffraction (UED) techniques to probe photoinduced energy conversion dynamics in solar energy materials. First, we discuss the use of UED as an ultrafast lattice thermometer allowing a direct probe of nonradiative relaxations such as hot carrier cooling and Auger recombination. Second, we present a time-resolved atomic pair distribution function analysis enabled by UED, which uncovers lattice deformations arising from excitation localization in materials. Finally, we provide an outlook looking toward new approaches for resolving in situ energy conversion dynamics and uncovering structure–property relationships in solar energy materials.

36 MATERIALS SCIENCE↗
NASA NTRS1990

A modeling technique for STOVL ejector and volume dynamics

New models for thrust augmenting ejector performance prediction and feeder duct dynamic analysis are presented and applied to a proposed Short Take Off and Vertical Landing (STOVL) aircraft configuration. Central to the analysis is the nontraditional treatment of the time-dependent volume integrals in the otherwise conventional control-volume approach. In the case of the thrust augmenting ejector, the analysis required a new relationship for transfer of kinetic energy from the primary flow to the secondary flow. Extraction of the required empirical corrections from current steady-state experimental data is discussed; a possible approach for modeling insight through Computational Fluid Dynamics (CFD) is presented.

Drummond, C. K.↗
NASA NTRS1990

A modeling technique for STOVL ejector and volume dynamics

New models for thrust augmenting ejector performance prediction and feeder duct dynamic analysis are presented and applied to a proposed Short Take Off and Vertical Landing (STOVL) aircraft configuration. Central to the analysis is the nontraditional treatment of the time-dependent volume integrals in the otherwise conventional control-volume approach. In the case of the thrust augmenting ejector, the analysis required a new relationship for transfer of kinetic energy from the primary flow to the secondary flow. Extraction of the required empirical corrections from current steady-state experimental data is discussed; a possible approach for modeling insight through Computational Fluid Dynamics (CFD) is presented.

Drummond, C. K.↗
NASA NTRS1987

An Investigation of the Dynamic Response of Spur Gear Teeth with Moving Loads

Two concepts relating to gear dynamics were studied. The first phase of the analysis involved the study of the effect of the speed of a moving load on the dynamic deflections of a gear tooth. A single spur gear tooth modelled using finite elements was subjected to moving loads with variable velocities. The tooth tip deflection time histories were plotted, from which it was seen that the tooth tip deflection consisted of a quasistatic response with an oscillatory response superimposed on it whose amplitude was dependent on the type of load engagement. Including the rim in the analysis added flexibility to the model but did not change the general behavior of the system. The second part of the analysis involved an investigation to determine the effect on the dynamic response of the inertia of the gear tooth. A simplified analysis using meshing cantilever beams was used. In one case, the beams were assumed massless. In the other, the mass (inertia) of the beams was included. From this analysis it was found that the inertia of the tooth did not affect the dynamic response of meshing cantilever beams.

Passerello, C. E.↗
DOE OSTI2022

A Differentiable Hydrology Approach for Modeling With Time-Varying Parameters

In the analysis of observational data with mathematical models, it is often desirable to let one or more model parameters vary with time to account for changing environmental conditions or to offer more flexibility. A standard approach for dynamic models is to allow for the number of parameters to grow as a function of time, leading to a high-dimensional inference problem for long data records. We propose using Hamiltonian Monte Carlo, a gradient-based Markov chain Monte Carlo (MCMC) method, to perform Bayesian inference for time-varying parameters (TVP) in hydrology models. As derivatives of model error functions with regard to parameters are not available in closed form, we implemented the GR4J rainfall-runoff models in Theano/PyMC3, and Jax/NumPyro, allowing for the application of automatic differentiation techniques. A simulation experiment assessing the viability of these methods for recovering underlying temporal variation in parameters indicates that a discrete Gaussian random walk-based prior appears to be best suited across a range of scenarios while the continuous-time Gaussian process compares relatively poorly. In an analysis of 20 years of daily real-world streamflow records from the Model Parameter Estimation Experiment (MOPEX) hydrology data set with increasing data sparsity and at multiple temporal resolutions, we find that TVP inference with gradient-based MCMC is a flexible and reliable approach for analyzing hydrology models with dynamic parameter sets.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Stopping to reflect: Asymptotic static moving mirrors as quantum analogs of classical radiation

Radiation from an accelerating charge is a basic process that can serve as an intersection between classical and quantum physics. We present two exactly soluble electron trajectories that permit analysis of the radiation emitted, exploring its time evolution and spectrum by analogy with the moving mirror model of the dynamic Casimir effect. These classical solutions are finite energy, rectilinear (nonperiodic), asymptotically zero velocity worldlines with corresponding quantum analog beta Bogolyubov coefficients. One of them has an interesting connection to uniform acceleration and Leonardo da Vinci's water pitcher experiment.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Dynamic mode decomposition of nonequilibrium electron-phonon dynamics: accelerating the first-principles real-time Boltzmann equation

Abstract Nonequilibrium dynamics governed by electron–phonon ( e -ph) interactions plays a key role in electronic devices and spectroscopies and is central to understanding electronic excitations in materials. The real-time Boltzmann transport equation (rt-BTE) with collision processes computed from first principles can describe the coupled dynamics of electrons and atomic vibrations (phonons). Yet, a bottleneck of these simulations is the calculation of e –ph scattering integrals on dense momentum grids at each time step. Here we show a data-driven approach based on dynamic mode decomposition (DMD) that can accelerate the time propagation of the rt-BTE and identify dominant electronic processes. We apply this approach to two case studies, high-field charge transport and ultrafast excited electron relaxation. In both cases, simulating only a short time window of ~10% of the dynamics suffices to predict the dynamics from initial excitation to steady state using DMD extrapolation. Analysis of the momentum-space modes extracted from DMD sheds light on the microscopic mechanisms governing electron relaxation to a steady state or equilibrium. The combination of accuracy and efficiency makes our DMD-based method a valuable tool for investigating ultrafast dynamics in a wide range of materials.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Resilience Analysis of DC Microgrids under Denial of Service Threats

This paper develops a resilience analysis framework to study the fault ride-through capability of direct current (DC) microgrids in unknown denial of service (DoS) cyber incidents. DoS can be a frequent threat to DC microgrids with advanced controllers that hinge on active information exchanges: it can paralyze data communications and cause control ineptness or even system instability. Furthermore, we show that temporal DoS incidents render the DC microgrid cyber-physical topology and parameters time-varying and cause them to jump between faulty conditions. As existing DC microgrid stability analysis results are primarily developed from time-invariant systems, they might not be valid for the DoS interrupted systems. In this paper, we seek to study whether a DC microgrid is resilient against time-varying unknown DoS incidents. The problem is formulated as a stability analysis problem for a system with randomly switching dynamics. Scalable conditions are developed to provide provable resilience guarantees. In addition, we exploit the special structure of the conditions to yield quantified resilience measure by convex optimization techniques. As a result, the measure can be used for the evaluation of the resilience of different DC microgrid design against DoS incidents. We demonstrate the effectiveness of the proposed work using simulation case studies.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2019

Flame Edge Dynamics and Interaction in a Multi-Nozzle Can Combustor with Fuel Staging

The characterization and mitigation of thermoacoustic combustion instabilities in gas turbine engines is necessary to reduce pollutant emissions, premature wear, and component failure associated with unstable flames. Fuel staging, a technique in which the fuel flow to a multi-nozzle combustor is unevenly distributed between the nozzles, has been shown to mitigate the intensity of self-excited combustion instabilities in multiple nozzle combustors. In our previous work, we hypothesized that staging suppresses instability through a phase-cancellation effect in which the heat release rate from the staged nozzle oscillates out of phase with that of the other nozzles, leading to destructive interference that suppresses the instability. This previous theory, however, was based on chemiluminescence imaging, which is a line-of-sight integrated technique. In this work, we use high-speed laser-induced fluorescence to further investigate instability suppression in two staging configurations: center-nozzle and outer-nozzle staging. An edge-tracking algorithm is used to compute local flame edge displacement as a function of time, allowing instability-driven edge oscillation phase coherence and other instantaneous flame dynamics to be spectrally and spatially resolved. Analysis of flame edge oscillations shows the presence of convecting coherent fluctuations of the flame edge caused by periodic vortex shedding. When the system is unstable, these two flame edges oscillate together as a result of high-intensity longitudinal-mode acoustic oscillations in the combustor that drive periodic vortex shedding at each of the nozzle exits. In the stable cases, however, the phase between the oscillations of the center and outer flame edges is greater than 90 degrees (~114 degrees), suggesting that the phase-cancellation hypothesis may be valid. This analysis allows a better understanding of the instantaneous flame dynamics behind flame edge oscillation phase offset and fuel staging-based instability suppression.

Doleiden, Daniel↗
DOE OSTI2020

Cloud Atlas: Unraveling the Vertical Cloud Structure with the Time-series Spectrophotometry of an Unusually Red Brown Dwarf

Rotational modulations of emission spectra in brown dwarf and exoplanet atmospheres show that clouds are often distributed non-uniformly in these ultracool atmospheres. The spatial heterogeneity in cloud distribution demonstrates the impact of atmospheric dynamics on cloud formation and evolution. In this study, we update the Hubble Space Telescope (HST) time-series data analysis of the previously reported rotational modulations of WISEP J004701+680352—an unusually red late-L brown dwarf with a spectrum similar to that of the directly imaged planet HR 8799e. We construct a self-consistent spatially heterogeneous cloud model to explain the HST and the Spitzer time-series observations, as well as the time-averaged spectra of WISE 0047. Additionally, in the heterogeneous cloud model, a cloud thickness variation of around one pressure scale height explains the wavelength dependence in the HST near-IR spectral variability. By including disequilibrium CO/CH 4 chemistry, our models also reproduce the redder $J-{K}_{{\rm{s}}}$ color of WISE 0047 compared to that of field brown dwarfs. We discuss the impact of vertical cloud structure on atmospheric profile and estimate the minimum eddy diffusivity coefficient for other objects with redder colors. Our data analysis and forward modeling results demonstrate that time-series spectrophotometry with a broad wavelength coverage is a powerful tool for constraining heterogeneous atmospheric structure.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1992

Lumped mass modelling for the dynamic analysis of aircraft structures

Aircraft structures may be modelled by lumping the masses at particular strategic points and the flexibility or stiffness of the structure is obtained with reference to these points. Equivalent moments of inertia for the section at these positions are determined. The lumped masses are calculated based on the assumption that each point will represent the mass spread on one half of the space on each side. Then these parameters are used in the differential equation of motion and the eigen characteristics are determined. A comparison is made with results obtained by other established methods. The lumped mass approach in the dynamic analysis of complicated structures provides an easier means of predicting the dynamic characteristics of these structures. It involves less computer time and avoids computational errors that are inherent in the numerical solution of complicated systems.

Abu-Saba, Elias G.↗
NASA NTRS1993

The NASA/industry Design Analysis Methods for Vibrations (DAMVIBS) program: A government overview

NASA-Langley, under the Design Analysis Methods for Vibrations (DAMVIBS) Program, set out in 1984 to establish the technology base needed by the rotorcraft industry for developing an advanced finite-element-based dynamics design analysis capability for vibrations. Considerable work has been done by the industry participants in the program since that time. Because the DAMVIBS Program is being phased out, a government/industry assessment of the program has been made to identify those accomplishments and contributions which may be ascribed to the program. The purpose of this paper is to provide an overview of the program and its accomplishments and contributions from the perspective of the government sponsoring organization.

Kvaternik, Raymond G.↗
NASA NTRS1995

Technical report series on global modeling and data assimilation. Volume 4: Documentation of the Goddard Earth Observing System (GEOS) data assimilation system, version 1

This report describes the analysis component of the Goddard Earth Observing System, Data Assimilation System, Version 1 (GEOS-1 DAS). The general features of the data assimilation system are outlined, followed by a thorough description of the statistical interpolation algorithm, including specification of error covariances and quality control of observations. We conclude with a discussion of the current status of development of the GEOS data assimilation system. The main components of GEOS-1 DAS are an atmospheric general circulation model and an Optimal Interpolation algorithm. The system is cycled using the Incremental Analysis Update (IAU) technique in which analysis increments are introduced as time independent forcing terms in a forecast model integration. The system is capable of producing dynamically balanced states without the explicit use of initialization, as well as a time-continuous representation of non- observables such as precipitation and radiational fluxes. This version of the data assimilation system was used in the five-year reanalysis project completed in April 1994 by Goddard's Data Assimilation Office (DAO) Data from this reanalysis are available from the Goddard Distributed Active Center (DAAC), which is part of NASA's Earth Observing System Data and Information System (EOSDIS). For information on how to obtain these data sets, contact the Goddard DAAC at (301) 286-3209, EMAIL daac@gsfc.nasa.gov.

Suarez, Max J.↗
NASA NTRS2000

Computational Nanotechnology of Materials, Devices, and Machines: Carbon Nanotubes

The mechanics and chemistry of carbon nanotubes have relevance for their numerous electronic applications. Mechanical deformations such as bending and twisting affect the nanotube's conductive properties, and at the same time they possess high strength and elasticity. Two principal techniques were utilized including the analysis of large scale classical molecular dynamics on a shared memory architecture machine and a quantum molecular dynamics methodology. In carbon based electronics, nanotubes are used as molecular wires with topological defects which are mediated through various means. Nanotubes can be connected to form junctions.

Srivastava, Deepak↗