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At least 667 records · Page 37

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↗

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↗

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.↗

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.↗

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.↗

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↗

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↗

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↗

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↗

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.↗

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.↗

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.↗

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↗

Trace Gas Measurements on Mars and Earth Using Optical Parametric Generation

Trace gases and their isotopic ratios in planetary atmospheres offer important but subtle clues as to the origins of a planet's atmosphere, hydrology, geology, and potential for biology. An orbiting laser remote sensing instrument is capable of measuring trace gases on a global scale with unprecedented accuracy, and higher spatial resolution that can be obtained by passive instruments. We have developed an active sensing instrument for the remote measurement of trace gases in planetary atmospheres (including Earth). The technique uses widely tunable, seeded optical parametric generation (OPG) to measure methane, CO2, water vapor, and other trace gases in the near and mid-infrared spectral regions. Methane is a strong greenhouse gas on Earth and it is also a potential biogenic marker on Mars and other planets. Methane in the Earth's atmosphere survives for a shorter time than CO2 but its impact on climate change can be larger than CO2. Methane levels have remained relatively constant over the last decade around 1.78 parts per million (ppm) but recent observations indicate that methane levels may be on the rise. Increasing methane concentrations may trigger a positive feedback loop and a subsequent runaway greenhouse effect, where increasing temperatures result in increasing methane levels. The NRC Decadal Survey recognized the importance of global observations of greenhouse gases and called for simultaneous CH4, CO, and CO2 measurements but also underlined the technological limitations for these observations. For Mars, methane measurements are of great interest because of its potential as a strong biogenic marker. A remote sensing instrument that can measure day and night over all seasons and latitudes can identify and localize sources of biogenic gas plumes produced by subsurface chemistry or biology, and aid in the search for extra-terrestrial life. It can identify the dynamics of methane generation over time and latitude and identify future lander mission sites for more detailed in-situ analysis. In this paper we report on remote sensing measurements of methane using a high peak power, widely tunable optical parametric generator (OPG) operating at 3.3 micron and 1.65 micron. The OPG is pumped by a passively q-switched single frequency laser (3ns, 5KHz, 50uJ) and seeded by a diode laser. The spectral width of both signal and idler of seeded OPG is nearly Fourier transform limited. The output of seeded OPG is single frequency with high spectral purity and is widely tunable. Both 1650 nm and 3300 nm can be generated with a conversion efficiency of more than 30%. We have demonstrated detection of methane at 3274 nm and 1650 nm in a cell and also performed open path atmospheric measurements of methane at the same wavelengths. Finally, we were able to demonstrate simultaneous detection of methane at 3270.4 nm and CO2 at 1578.2 nm. In this paper we will discuss the OPG performance and atmospheric open path measurement results.

Numata, Kenji↗

Biomolecule Sequencer: Next-Generation DNA Sequencing Technology for In-Flight Environmental Monitoring, Research, and Beyond

On the International Space Station (ISS), technologies capable of rapid microbial identification and disease diagnostics are not currently available. NASA still relies upon sample return for comprehensive, molecular-based sample characterization. Next-generation DNA sequencing is a powerful approach for identifying microorganisms in air, water, and surfaces onboard spacecraft. The Biomolecule Sequencer payload, manifested to SpaceX-9 and scheduled on the Increment 4748 research plan (June 2016), will assess the functionality of a commercially-available next-generation DNA sequencer in the microgravity environment of ISS. The MinION device from Oxford Nanopore Technologies (Oxford, UK) measures picoamp changes in electrical current dependent on nucleotide sequences of the DNA strand migrating through nanopores in the system. The hardware is exceptionally small (9.5 x 3.2 x 1.6 cm), lightweight (120 grams), and powered only by a USB connection. For the ISS technology demonstration, the Biomolecule Sequencer will be powered by a Microsoft Surface Pro3. Ground-prepared samples containing lambda bacteriophage, Escherichia coli, and mouse genomic DNA, will be launched and stored frozen on the ISS until experiment initiation. Immediately prior to sequencing, a crew member will collect and thaw frozen DNA samples, connect the sequencer to the Surface Pro3, inject thawed samples into a MinION flow cell, and initiate sequencing. At the completion of the sequencing run, data will be downlinked for ground analysis. Identical, synchronous ground controls will be used for data comparisons to determine sequencer functionality, run-time sequence, current dynamics, and overall accuracy. We will present our latest results from the ISS flight experiment the first time DNA has ever been sequenced in space and discuss the many potential applications of the Biomolecule Sequencer for environmental monitoring, medical diagnostics, higher fidelity and more adaptable Space Biology Human Research Program investigations, and even life detection experiments for astrobiology missions.

Sequencer↗

Orientational Pair Correlations and Local Structure of Benzonitrile from Molecular Dynamics Simulations with Comparisons to Experiments [plus supplemental information]

Here, we present an experimentally parametrized molecular dynamics study of single-molecule and collective orientational relaxation in neat benzonitrile through the analysis of the reorientational anisotropy and polarizability anisotropy time-correlation function (PA-TCF). The simulations show that the PA-TCF is dominated by collective reorientation after 20 ps. Collective reorientation is found to be slower than single-molecule reorientation by a factor of 1.67, consistent with recent experiments. The simulations provide direct evidence of local antiparallel benzonitrile configurations. These structures, which have been the center of some debate, are responsible for the slower rate of collective vs. single-molecule reorientation in the liquid. Further structural analysis indicates that significant Coulombic interactions between the nitrile group and hydrogen atoms on adjacent molecules play a role in the formation of the antiparallel structures. The single-molecule dynamics reflected in the anisotropy are complex and consist of a ballistic regime, restricted angular diffusion, and spatially anisotropic free diffusion. The principal components of the rotational diffusion tensor are independently obtained and shown to reproduce the free diffusion regime of the anisotropy for each principal axis according to the predictions of a previous theory.

14 SOLAR ENERGY↗

Fractal analysis of heart rate dynamics as a predictor of mortality in patients with depressed left ventricular function after acute myocardial infarction. TRACE Investigators. TRAndolapril Cardiac Evaluation

A number of new methods have been recently developed to quantify complex heart rate (HR) dynamics based on nonlinear and fractal analysis, but their value in risk stratification has not been evaluated. This study was designed to determine whether selected new dynamic analysis methods of HR variability predict mortality in patients with depressed left ventricular (LV) function after acute myocardial infarction (AMI). Traditional time- and frequency-domain HR variability indexes along with short-term fractal-like correlation properties of RR intervals (exponent alpha) and power-law scaling (exponent beta) were studied in 159 patients with depressed LV function (ejection fraction <35%) after an AMI. By the end of 4-year follow-up, 72 patients (45%) had died and 87 (55%) were still alive. Short-term scaling exponent alpha (1.07 +/- 0.26 vs 0.90 +/- 0.26, p <0.001) and power-law slope beta (-1.35 +/- 0.23 vs -1.44 +/- 0.25, p <0.05) differed between survivors and those who died, but none of the traditional HR variability measures differed between these groups. Among all analyzed variables, reduced scaling exponent alpha (<0.85) was the best univariable predictor of mortality (relative risk 3.17, 95% confidence interval 1.96 to 5.15, p <0.0001), with positive and negative predictive accuracies of 65% and 86%, respectively. In the multivariable Cox proportional hazards analysis, mortality was independently predicted by the reduced exponent alpha (p <0.001) after adjustment for several clinical variables and LV function. A short-term fractal-like scaling exponent was the most powerful HR variability index in predicting mortality in patients with depressed LV function. Reduction in fractal correlation properties implies more random short-term HR dynamics in patients with increased risk of death after AMI.

Non-NASA Center↗

Robustness analysis for real parametric uncertainty

Some key results in the literature in the area of robustness analysis for linear feedback systems with structured model uncertainty are reviewed. Some new results are given. Model uncertainty is described as a combination of real uncertain parameters and norm bounded unmodeled dynamics. Here the focus is on the case of parametric uncertainty. An elementary and unified derivation of the celebrated theorem of Kharitonov and the Edge Theorem is presented. Next, an algorithmic approach for robustness analysis in the cases of multilinear and polynomic parametric uncertainty (i.e., the closed loop characteristic polynomial depends multilinearly and polynomially respectively on the parameters) is given. The latter cases are most important from practical considerations. Some novel modifications in this algorithm which result in a procedure of polynomial time behavior in the number of uncertain parameters is outlined. Finally, it is shown how the more general problem of robustness analysis for combined parametric and dynamic (i.e., unmodeled dynamics) uncertainty can be reduced to the case of polynomic parametric uncertainty, and thus be solved by means of the algorithm.

Sideris, Athanasios↗