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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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VpROM: a novel variational autoencoder-boosted reduced order model for the treatment of parametric dependencies in nonlinear systems
Reduced Order Models (ROMs) are of considerable importance in many areas of engineering in which computational time presents difficulties. Established approaches employ projection-based reduction, such as Proper Orthogonal Decomposition. The limitation of the linear nature of such operators is typically tackled via a library of local reduction subspaces, which requires the assembly of numerous local ROMs to address parametric dependencies. Our work attempts to define a more generalisable mapping between parametric inputs and reduced bases for the purpose of generative modeling. We propose the use of Variational Autoencoders (VAEs) in place of the typically utilised clustering or interpolation operations, for inferring the fundamental vectors, termed as modes, which approximate the manifold of the model response for any and each parametric input state. The derived ROM still relies on projection bases, built on the basis of full-order model simulations, thus retaining the imprinted physical connotation. However, it additionally exploits a matrix of coefficients that relates each local sample response and dynamics to the global phenomena across the parametric input domain. The VAE scheme is utilised for approximating these coefficients for any input state. This coupling leads to a high-precision low-order representation, which is particularly suited for problems where model dependencies or excitation traits cause the dynamic behavior to span multiple response regimes. Moreover, the probabilistic treatment of the VAE representation allows for uncertainty quantification on the reduction bases, which may then be propagated to the ROM response. The performance of the proposed approach is validated on an open-source simulation benchmark featuring hysteresis and multi-parametric dependencies, and on a large-scale wind turbine tower characterised by nonlinear material behavior and model uncertainty.
Ultrafast transmission electron microscope for studying the dynamics of the processes induced by femtosecond laser beams
We have developed an ultrafast transmission electron microscope for studying dynamic processes in samples excited by femtosecond laser pulses and for probing transient processes occurring under irradiation by a pulsed (∼7 ps) photoelectron beam with an adjustable delay with respect to the excitation pulse. A 75-keV photoelectron beam is formed using a silver photocathode irradiated by a femtosecond laser beam. This microscope is shown to have a high spatial resolution in the photoelectron regime: nanoscale in the imaging regime and atomic in the electron diffraction regime. It is used for experimental observation of ultrafast interaction of a laser-induced electron cloud with a pulsed photoelectron beam. Using this effect, a method of spatial and temporal alignment of excitation laser and probe electron pulsed beams on a sample is experimentally implemented. (paper)
Benchmarking structural evolution methods for training of machine learned interatomic potentials
When creating training data for machine-learned interatomic potentials (MLIPs), it is common to create initial structures and evolve them using molecular dynamics (MD) to sample a larger configuration space. Here, we benchmark two other modalities of evolving structures, contour exploration (CE) and dimer-method (DM) searches against MD for their ability to produce diverse and robust density functional theory training data sets for MLIPs. We also discuss the generation of initial structures which are either from known structures or from random structures in detail to further formalize the structure-sourcing processes in the future. The polymorph-rich zirconium-oxygen composition space is used as a rigorous benchmark system for comparing the performance of MLIPs trained on structures generated from these structural evolution methods. Using Behler–Parrinello neural networks as our MLIP models, we find that CE and the DM searches are generally superior to MD in terms of spatial descriptor diversity and statistical accuracy.
AugerPrime surface detector electronics
Operating since 2004, the Pierre Auger Observatory has led to major advances in our understanding of the ultra-high-energy cosmic rays. The latest findings have revealed new insights that led to the upgrade of the Observatory, with the primary goal of obtaining information on the primary mass of the most energetic cosmic rays on a shower-by-shower basis. In the framework of the upgrade, called AugerPrime, the 1660 water-Cherenkov detectors of the surface array are equipped with plastic scintillators and radio antennas, allowing us to enhance the composition sensitivity. To accommodate new detectors and to increase experimental capabilities, the electronics is also upgraded. This includes better timing with up-to-date GPS receivers, higher sampling frequency, increased dynamic range, and more powerful local processing of the data. In this paper, the design characteristics of the new electronics and the enhanced dynamic range will be described. The manufacturing and test processes will be outlined and the test results will be discussed. The calibration of the SD detector and various performance parameters obtained from the analysis of the first commissioning data will also be presented.
Coherent diffraction imaging in the undergraduate laboratory
We present an undergraduate optics instructional laboratory designed to teach skills relevant to a broad range of modern scientific and technical careers. In this laboratory project, students image a custom aperture using coherent diffraction imaging, while learning principles and skills related to digital image processing and computational imaging, including multidimensional Fourier analysis, iterative phase retrieval, noise reduction, finite dynamic range, and sampling considerations. After briefly reviewing these imaging principles, we describe the required experimental materials and setup for this project. Our experimental apparatus is both inexpensive and portable, and a software application we developed for interactive data analysis is freely available.
Characteristics of thermospheric infrasound predicted using ray tracing and weakly non-linear waveform analyses
Infrasonic signals refracted by thermal gradients in the rarefied upper atmosphere are modeled using a combination of ray tracing and weak shock theory to develop an understanding of thermospheric infrasound signals produced by energetic, transient sources. Canonical arrival structures in the form of u-wave signatures are identified for returns refracted at lower altitudes within the thermosphere, and possible multi-pathing produced by effective sound speed inflections are investigated to elucidate more complex arrival structures, which are found to be spatially localized. Furthermore, variability in the source characteristics is investigated and it is found that whereas some waveform phase information is lost due to finite amplitude effects, arrival characteristics are strongly dependent on the peak overpressure near the source. Variability in the propagation path is considered using archived atmospheric specifications and implies that despite uncertainties related to the dynamic and sparsely sampled nature of the atmosphere, thermospheric signatures might be useful in estimating the yield for explosive sources. Last, thermospheric arrivals from a failed rocket launch, as well as those from several large chemical explosions, are analyzed and it is found that qualitative trends match those predicted, and analyses here provide additional insight into such signatures.
Effect of the variation rate of an external magnetic field on the high-frequency response of surface superconductivity in a critical state
The effect of the magnetic field variation rate on the high-frequency absorption of surface superconductivity of cylindrical samples has been studied. It has been shown that the magnitude of additional highfrequency absorption attributed to Kulik vortices does not demonstrate saturation and other critical changes up to a magnetic field variation rate of 350 kOe/s, which indicates that the velocity of motion of Kulik vortices is higher than that of Abrikosov vortices. The effect of the normal core of the sample on the dynamics of a magnetic flux has been discussed.
stochprop Documentation (Release 1.0)
Simulations of infrasonic propagation in the atmosphere typically utilize a single atmospheric specification describing the acoustic sound speed, ambient winds, and density as a function of altitude. Due to the dynamic and sparsely sampled nature of the atmosphere, there is a notable amount of uncertainty in the atmospheric state at a given location and time so that a more robust analysis of infrasonic propagation requires inclusion of this uncertainty. This Python library, stochprop, has been implemented using methods developed jointly by infrasound scientists at Los Alamos National Laboratory (LANL) and the University of Mississippi’s National Center for Physical Acoustics (NCPA). This software library includes methods to quantify variability in the atmospheric state, identify typical seasonal variability in the atmospheric state and generate suites of representative atmospheric states during a given season, as well as perform uncertainty analysis on a specified atmospheric state given some level of uncertainty. These methods have been designed to interface between propagation modeling capabilities such as InfraGA/GeoAc and NCPAprop and signal analysis methods in the LANL InfraPy tool.
Do Better Quality Embedding Potentials Accelerate the Convergence of QM/MM Models? The Case of Solvated Acid Clusters
This study examines whether the use of more accurate embedding potentials improves the convergence of quantum mechanics/molecular mechanics (QM/MM) models with respect to the size of the QM region. In conjunction with density functional theory calculations using the ωB97X-D functional, various embedding potentials including the TIP3P water model, the effective fragment potential (EFP), and semi-empirical methods (PM6, PM7, and DFTB) were used to simulate the deprotonation energies of solvated acid clusters. The calculations were performed on solvated neutral (HA) and cationic (HB+) acids clusters containing 160 and 480 water molecules using configurations sampled from molecular dynamics simulations. Consistently, the ωB97X-D/EFP model performed the best when using a minimal QM region size. The performance for the other potentials appears to be highly sensitive to the charge character of the acid/base pair. Neutral acids display the expected trend that semi-empirical methods generally perform better than TIP3P; however, an opposite trend was observed for the cationic acids. Additionally, electronic embedding provided an improvement over mechanical embedding for the cationic systems, but not the neutral acids. For the best performing ωB97X-D/EFP model, a QM region containing about 6% of the total number of solvent molecules is needed to approach within 10 kJ mol−1 of the pure QM result if the QM region was chosen based on the distance from the reaction centre.
Electrostatically actuated encased cantilevers
Background: Encased cantilevers are novel force sensors that overcome major limitations of liquid scanning probe microscopy. By trapping air inside an encasement around the cantilever, they provide low damping and maintain high resonance frequencies for exquisitely low tip-sample interaction forces even when immersed in a viscous fluid. Quantitative measurements of stiffness, energy dissipation and tip-sample interactions using dynamic force sensors remain challenging due to spurious resonances of the system. Results: We demonstrate for the first time electrostatic actuation with a built-in electrode. Solely actuating the cantilever results in a frequency response free of spurious peaks. We analyze static, harmonic, and sub-harmonic actuation modes. Sub-harmonic mode results in stable amplitudes unaffected by potential offsets or fluctuations of the electrical surface potential. Here in this paper, we present a simple plate capacitor model to describe the electrostatic actuation. The predicted deflection and amplitudes match experimental results within a few percent. Consequently, target amplitudes can be set by the drive voltage without requiring calibration of optical lever sensitivity. Furthermore, the excitation bandwidth outperforms most other excitation methods. Conclusion: Compatible with any instrument using optical beam deflection detection electrostatic actuation in encased cantilevers combines ultra-low force noise with clean and stable excitation well-suited for quantitative measurements in liquid, compatible with air, or vacuum environments.
THE SLOAN DIGITAL SKY SURVEY REVERBERATION MAPPING PROJECT: BIASES IN z > 1.46 REDSHIFTS DUE TO QUASAR DIVERSITY
We use the coadded spectra of 32 epochs of Sloan Digital Sky Survey (SDSS) Reverberation Mapping Project observations of 482 quasars with z > 1.46 to highlight systematic biases in the SDSS- and Baryon Oscillation Spectroscopic Survey (BOSS)-pipeline redshifts due to the natural diversity of quasar properties. We investigate the characteristics of this bias by comparing the BOSS-pipeline redshifts to an estimate from the centroid of He ii λ 1640. He ii has a low equivalent width but is often well-defined in high-S/N spectra, does not suffer from self-absorption, and has a narrow component which, when present (the case for about half of our sources), produces a redshift estimate that, on average, is consistent with that determined from [O ii] to within the He ii and [O ii] centroid measurement uncertainties. The large redshift differences of ∼1000 km s{sup −1}, on average, between the BOSS-pipeline and He ii-centroid redshifts, suggest there are significant biases in a portion of BOSS quasar redshift measurements. Adopting the He ii-based redshifts shows that C iv does not exhibit a ubiquitous blueshift for all quasars, given the precision probed by our measurements. Instead, we find a distribution of C iv-centroid blueshifts across our sample, with a dynamic range that (i) is wider than that previously reported for this line, and (ii) spans C iv centroids from those consistent with the systemic redshift to those with significant blueshifts of thousands of kilometers per second. These results have significant implications for measurement and use of high-redshift quasar properties and redshifts, and studies based thereon.
Fundamental ignition study for material fire safety improvement, part 2
The autoignition behavior of polymeric compositions in oxidizing media was investigated as well as the nature and relative concentration of the volatiles produced during oxidative decomposition culminating in combustion. The materials investigated were Teflon, Fluorel KF-2140 raw gum and its compounded versions Refset and Ladicote, 45B3 intumenscent paint, and Ames isocyanurate foam. The majority of the tests were conducted using a stagnation burner arrangement which provided a laminar gas flow and allowed the sample block and gas temperatures to be varied independently. The oxidizing atmospheres were essentially air and oxygen, although in the case of the Fluorel family of materials, due to partial blockage of the gas inlet system, some tests were performed unintentionally in enriched air (not oxygen). The 45B3 paint was not amenable to sampling in a dynamic system, due to its highly intumescent nature. Consequently, selected experiments were conducted using a sealed tube technique both in air and oxygen media.
Small-Signal ac Analysis
Program simulates power circuits and systems. Small Signal A.C. Analysis program (SSAC) valuable tool for design and analysis of electrical-power-system circuits. By combining "black box" power-system components operating in specified manner, user characterizes system modeled. Menu-driven program proved simple and cost effective in development and modification of arbitrary power-system configurations. Package includes sample data from Dynamic Explorer satellite family. Results compared favorable to calculations from such general circuit-analysis programs as SPICE. Written in FORTRAN 77.
Averaging analysis for discrete time and sampled data adaptive systems
Earlier continuous time averaging theorems are extended to the nonlinear discrete time case. Theorems for the study of the convergence analysis of discrete time adaptive identification and control systems are used. Instability theorems are also derived and used for the study of robust stability and instability of adaptive control schemes applied to sampled data systems. As a by product, the effects of sampling on unmodeled dynamics in continuous time systems are also studied.
Derivation of hard deadlines for real-time control systems
The computation-time delay in the feedback controller of a real-time control system may cause failure to update the control input during one or more sampling periods. A dynamic failure is said to occur if this delay exceeds a certain limit called a hard deadline. The authors present a method for calculating the hard deadlines in linear time-invariant control systems. To derive necessary conditions for (asymptotic) system stability, the state difference equation is modified based on an assumed maximum delay and the probability distribution of delays whose magnitudes are less than, or equal to, the assumed maximum delay. Moreover, the allowed state-space-which is derived from given input and state constraints-is used to calculate the hard deadline as a function of time and the system state. The authors consider a one-shot delay model in which a single event causes a dynamic failure.
Nonlinear Dynamics of a Foil Bearing Supported Rotor System: Simulation and Analysis
Foil bearings provide noncontacting rotor support through a number of thin metal strips attached around the circumference of a stator and separated from the rotor by a fluid film. The resulting support stiffness is dominated by the characteristics of the foils and is a nonlinear function of the rotor deflection. The present study is concerned with characterizing this nonlinear effect and investigating its influence on rotordynamical behavior. A finite element model is developed for an existing bearing, the force versus deflection relation characterized, and the dynamics of a sample rotor system are studied. Some conclusions are discussed with regard to appropriate ranges of operation for such a system.
June 1997 ER-2 Flight Measurements
Within our current understanding of the atmospheric ionizing radiation, the ER-2 flight package was designed to provide a complete characterization of the physical fields and evaluate various dosimetric techniques for routine monitoring. A flight plan was developed to sample the full dynamic range of the atmospheric environment especially at altitudes relevant to the development of the High Speed Civil Transport. The flight of the instruments occurred in June of 1997 where predictive models indicated a maximum in the high altitude radiation environment occurring approximately nine months after the minimum in the solar sunspot cycle. The flights originated at Moffett field at the Ames Research Center on ER-2 aircraft designated as 706. The equipment was shipped mid- May 1997 for unpacking and checkout, size fitting, systems functional test, and preflight testing on aircraft power with flight readiness achieved on May 30, 1997. The equipment was qualified on its first engineering flight on June 2, 1997 and the subsequent science gathering flights followed during the period of June 5-15, 1997. Herein we give an account of the flight operations.