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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Structural Trends and Vibrational Analysis of N,N,N′,N′−Tetramethylmalonamide Complexes Across the Lanthanide Series

Fundamental understanding of coordination chemistry across the lanthanide series is essential for explaining chemical behavior of rare-earth metals in complex liquid-liquid extraction processes, which in turn affects the distribution ratios and efficacy of separations as a whole. In this work, we explore the structural trends between the lanthanides and a neutral N,N,N',N'-tetramethylmalonamide (TMMA) ligand within four isolated families of solid-state compounds: Ln(trans-TMMA) 2 (NO 3 ) 3 Ln=La-Nd, Sm; Ln(cis-TMMA) 2 (NO 3 ) 3 Ln=Eu-Tb, Er; [Ln(TMMA) 3 (NO 3 ) 2 ][Ln(TMMA)(NO 3 ) 4 ] Ln=Dy-Tm; Ln(Κ 2 -TMMA)(iPrOH)(NO 3 ) 3 and Ln(Κ 1 -TMMA)(Κ 2 -TMMA)(NO 3 ) 3 Ln=Yb, Lu. Moving across the lanthanide series, we note the formation of both discrete charge-neutral complexes, as well as charged molecular anion-cation pairs, with variations in spatial ligand arrangement, coordination numbers, and ligand denticities. IR and Raman spectroscopy paired with DFT frequency calculations were used for an in-depth investigation of vibrational modes unique to each structural family. The collection of isolated model compounds was also discussed in the context of liquid-liquid separations based on reported distribution ratios from malonamide extraction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

FSISPH: An SPH formulation for impacts between dissimilar materials

Here, we present an SPH formulation with several new features designed to better model the fully-compressible interaction of dissimilar materials. We developed the new method to simulate the atmospheric entry and break-up of small celestial bodies in planetary atmospheres. The formulation uses a unity-based, density-energy discretization of the hydrodynamic conservation laws with linear-corrected kernel gradients. To account for variations in compressibility, we use an HLLC approximate Riemann solver to adjust the velocity gradient at material interfaces. To handle large transverse velocity discontinuities, we introduce a simple slip interface model that limits the artificial viscosity at material interfaces. Diffusion is optionally applied through the velocity gradient and this allows the density and specific thermal energy to evolve in a manner more consistent with the first law of thermodynamics in comparison to other more direct diffusion schemes. We also introduce a material-local second-order artificial conduction scheme used to smooth the specific thermal energy field. Material damage fits neatly under this framework by treating the damage front as a material interface. The method has been implemented as a solver, FSISPH, within the code, Spheral++, and is publicly available on github. We test our new solver on a number of classic shock, mixing, and multi-material problem. The components we outline can significantly improve accuracy of SPH for problems with sharp contact discontinuities.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1977

Stress analysis and stress-intensity factors for finite geometry solids containing rectangular surface cracks

The line method of analysis is applied to the Navier-Cauchy equations of elastic equilibrium to calculate the displacement field in a finite geometry bar containing a variable depth rectangular surface crack under extensionally applied uniform loading. The application of this method to these equations leads to coupled sets of simultaneous ordinary differential equations whose solutions are obtained along sets of lines in a discretized region. Using the obtained displacement field, normal stresses, and the stress-intensity factor variation along the crack periphery are calculated for different crack depth to bar thickness ratios. Crack opening displacements and stress-intensity factors are also obtained for a through-thickness, center-cracked bar with variable thickness. The reported results show a considerable potential for using this method in calculating stress-intensity factors for commonly encountered surface crack geometries in finite solids

Gyekenyesi, J. P.↗
NASA NTRS1992

The photometric period of the recurrent Nova T Pyxidis

The paper presents 1713 photometric measurements of T Pyx from 1966 to 1990. The light curve of T Pyx shows roughly sinusoidal variations with a typical amplitude of 0.09 mag and a time scale of 2 hr. Discrete Fourier transforms of data from individual nights and runs reveal a highly significant periodic modulation. This modulation is proven to be coherent only on time scales shorter than from 6 d to under 1 d. The present period for the modulation is 0.07616 +/- 0.00017 d. Since other stars have variable photometric periods (possibly related to the superhump phenomenon) which are slightly different from the orbital period, an orbital period of about 0.073 d for T Pyx is suggested.

Schaefer, Bradley E.↗
NASA NTRS2012

Seasonal and Non-Seasonal Variations of Jupiter's Atmosphere from Observations of Thermal Emission, 1994-2011

We analyzed mid-infrared images of Jupiter's thermal emission, covering approx.1.5 Jovian years, acquired in discrete filters between 7.8 and 24.5 microns. The behavior of stratospheric (approx.10-mbar) and tropospheric (approx.100-400 mbar) temperatures is generally consistent with predictions of seasonal variability, with differences between 100-mbar temperatures +/-50-60deg from the equator on the order of +/-2. Removing this effect, there appear to be long-term quasi-periodic variability of tropospheric temperatures, whose amplitude, phase and period depend on latitude. The behavior of temperatures in the Equatorial Zone (EZ) suggests a approx.4-6-year period with amplitude of about +/-1-1.5 K in temperature. At mid-latitudes, the periodicity is more distinct with amplitudes around +/-1.5-2.5 K and 4-8 year periods. The 4.2-year variation of stratospheric temperatures known as the quasiquadrennial oscillation or "QQO" (Leovy et al. 1991, Nature 354, 380) continued during this period. There were no variations of zonal mean temperatures associated with any of the "global upheaval" events that have produced dramatic changes of jupiter's visible appearance and cloud cover, although there are colder discrete regions associated with updrafts, e.g. the early stages of the re-darkening ("revival") of the South Equatorial Belt (SEB) in late 2010. On the other hand increases in the visible albedos ("fades") of belts are accompanied by increases in the thickness of a 700-mbar cloud layer (most likely NH3 ice) and clouds at higher pressures, together with the mixing ratio of NH3 gas near 400 mbar (above its condensation level). These quantities decrease during re-darkening ("revival") episodes, during which we note discrete features that are exceptions to the general correlation between dark albedos and minimal cloudiness. In contrast to all these changes, the meridional distribution of the 240-mbar para-H2 fraction appears to be invariant in time.

Orton, G.↗
DOE OSTI2025

Electron-Proton Scattering Event Generation using Structured Tokenization

Recent work such as Omnijet-$\alpha$ has demonstrated that effective tokenization combined with transformer-based architectures can produce effective foundation models for jet physics. While tokenization may help models capture generalizable event characteristics, it also introduces discretization errors that may compromise the precision required for downstream physics analyses. As the number and complexity of the particle features grow, these errors are likely to grow proportionally. In this study, we investigate new tokenization strategies to improve the application of generative transformer models to \textsc{Pythia8} simulations of electron-proton scattering at the Electron-Ion Collider. Specifically, we propose a feature-based structured tokenization approach that utilizes multiple tokens per particle, improving expressivity, while reducing the total number of unique tokens needed. We evaluate this method against grid-based binning, K-means clustering, and vector-quantized variational auto-encoders on the event simulations. Our results show that feature-based structured tokenization reduces discretization error, leading to more accurate generative modeling of particle-level events.

Goldenberg, Steven [Thomas Jefferson National Acce↗
DOE OSTI2025

Electron-Proton Scattering Event Generation using Structured Tokenization

Recent work such as Omnijet-$\alpha$ has demonstrated that effective tokenization combined with transformer-based architectures can produce effective foundation models for jet physics. While tokenization may help models capture generalizable event characteristics, it also introduces discretization errors that may compromise the precision required for downstream physics analyses. As the number and complexity of the particle features grow, these errors are likely to grow proportionally. In this study, we investigate new tokenization strategies to improve the application of generative transformer models to \textsc{Pythia8} simulations of electron-proton scattering at the Electron-Ion Collider. Specifically, we propose a feature-based structured tokenization approach that utilizes multiple tokens per particle, improving expressivity, while reducing the total number of unique tokens needed. We evaluate this method against grid-based binning, K-means clustering, and vector-quantized variational auto-encoders on the event simulations. Our results show that feature-based structured tokenization reduces discretization error, leading to more accurate generative modeling of particle-level events.

Goldenberg, Steven [Thomas Jefferson National Acce↗
DOE OSTI2023

Engineering Relaxor Behavior in (BaTiO 3 ) n /(SrTiO 3 ) n Superlattices

Complex-oxide superlattices provide a pathway to numerous emergent phenomena because of the juxtaposition of disparate properties and the strong interfacial interactions in these unit-cell-precise structures. This is particularly true in superlattices of ferroelectric and dielectric materials, wherein new forms of ferroelectricity, exotic dipolar textures, and distinctive domain structures can be produced. Here, in this study, relaxor-like behavior, typically associated with the chemical inhomogeneity and complexity of solid solutions, is observed in (BaTiO 3 ) n /(SrTiO 3 ) n (n = 4–20 unit cells) superlattices. Dielectric studies and subsequent Vogel–Fulcher analysis show significant frequency dispersion of the dielectric maximum across a range of periodicities, with enhanced dielectric constant and more robust relaxor behavior for smaller period n. Bond-valence molecular-dynamics simulations predict the relaxor-like behavior observed experimentally, and interpretations of the polar patterns via 2D discrete-wavelet transforms in shorter-period superlattices suggest that the relaxor behavior arises from shape variations of the dipolar configurations, in contrast to frozen antipolar stripe domains in longer-period superlattices (n = 16). Moreover, the size and shape of the dipolar configurations are tuned by superlattice periodicity, thus providing a definitive design strategy to use superlattice layering to create relaxor-like behavior which may expand the ability to control desired properties in these complex systems.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A mathematical model of asynchronous data flow in parallel computers *

Abstract We present a simplified model of data flow on processors in a high-performance computing framework involving computations necessitating inter-processor communications. From this ordinary differential model, we take its asymptotic limit, resulting in a model which treats the computer as a continuum of processors and data flow as an Eulerian fluid governed by a conservation law. We derive a Hamilton–Jacobi equation associated with this conservation law for which the existence and uniqueness of solutions can be proven. We then present the results of numerical experiments for both discrete and continuum models; these show a qualitative agreement between the two and the effect of variations in the computing environment’s processing capabilities on the progress of the modelled computation.

Barnard, Richard C.↗
NASA NTRS1984

Studies in a transonic rotor aerodynamics and noise facility

The design, construction and testing of a transonic rotor aerodynamics and noise facility was undertaken, using a rotating arm blade element support technique. This approach provides a research capability intermediate between that of a stationary element in a moving flow and that of a complete rotating blade system, and permits the acoustic properties of blade tip elements to be studied in isolation. This approach is an inexpensive means of obtaining data at high subsonic and transonic tip speeds on the effect of variations in tip geometry. The facility may be suitable for research on broad band noise and discrete noise in addition to high-speed noise. Initial tests were conducted over the Mach number range 0.3 to 0.93 and confirmed the adequacy of the acoustic treatment used in the facility to avoid reflection from the enclosure.

Wright, S. E.↗
NASA NTRS1997

Instability Mechanisms of Thermally-Driven Interfacial Flows in Liquid-Encapsulated Crystal Growth

During the past year, a great deal of effort was focused on the enhancement and refinement of the computational tools developed as part of our previous NASA grant. In particular, the interface mollification algorithm developed earlier was extended to incorporate the effects of surface-rheological properties in order to allow the study of thermocapillary flows in the presence of surface contamination. These tools will be used in the computational component of the proposed research in the remaining years of this grant. A detailed description of the progress made in this area is provided elsewhere. Briefly, the method developed allows for the convection and diffusion of bulk-insoluble surfactants on a moving and deforming interface. The novelty of the method is its grid independence: there is no need for front tracking, surface reconstruction, body-fitted grid generation, or metric evaluations; these are all very expensive computational tasks in three dimensions. For small local radii of curvature there is a need for local grid adaption so that the smearing thickness remains a small fraction of the radius of curvature. A special Neumann boundary condition was devised and applied so that the calculated surfactant concentration has no variations normal to the interface, and it is hence truly a surface-defined quantity. The discretized governing equations are solved subsequently using a time-split integration scheme which updates the concentration and the shape successively. Results demonstrate excellent agreement between the computed and exact solutions.

Haj-Hariri, Hossein↗
NASA NTRS2003

A Variational Principle for Reconstruction of Elastic Deformations in Shear Deformable Plates and Shells

A variational principle is formulated for the inverse problem of full-field reconstruction of three-dimensional plate/shell deformations from experimentally measured surface strains. The formulation is based upon the minimization of a least squares functional that uses the complete set of strain measures consistent with linear, first-order shear-deformation theory. The formulation, which accommodates for transverse shear deformation, is applicable for the analysis of thin and moderately thick plate and shell structures. The main benefit of the variational principle is that it is well suited for C(sup 0)-continuous displacement finite element discretizations, thus enabling the development of robust algorithms for application to complex civil and aeronautical structures. The methodology is especially aimed at the next generation of aerospace vehicles for use in real-time structural health monitoring systems.

Tessler, Alexander↗
NASA NTRS2003

Air Cargo Transportation Route Choice Analysis

Using a unique feature of air cargo transshipment data in the Northeast Asian region, this paper identifies the critical factors that determine the transshipment route choice. Taking advantage of the variations in the transport characteristics in each origin-destination airports pair, the paper uses a discrete choice model to describe the transshipping route choice decision made by an agent (i.e., freight forwarder, consolidator, and large shipper). The analysis incorporates two major factors, monetary cost (such as line-haul cost and landing fee) and time cost (i.e., aircraft turnaround time, including loading and unloading time, custom clearance time, and expected scheduled delay), along with other controls. The estimation method considers the presence of unobserved attributes, and corrects for resulting endogeneity by use of appropriate instrumental variables. Estimation results find that transshipment volumes are more sensitive to time cost, and that the reduction in aircraft turnaround time by 1 hour would be worth the increase in airport charges by more than $1000. Simulation exercises measures the impacts of alternative policy scenarios for a Korean airport, which has recently declared their intention to be a future regional hub in the Northeast Asian region. The results suggest that reducing aircraft turnaround time at the airport be an effective strategy, rather than subsidizing to reduce airport charges.

Obashi, Hiroshi↗
NASA NTRS1979

Multi-level adaptive finite element methods. 1: Variation problems

A general numerical strategy for solving partial differential equations and other functional problems by cycling between coarser and finer levels of discretization is described. Optimal discretization schemes are provided together with very fast general solvers. It is described in terms of finite element discretizations of general nonlinear minimization problems. The basic processes (relaxation sweeps, fine-grid-to-coarse-grid transfers of residuals, coarse-to-fine interpolations of corrections) are directly and naturally determined by the objective functional and the sequence of approximation spaces. The natural processes, however, are not always optimal. Concrete examples are given and some new techniques are reviewed. Including the local truncation extrapolation and a multilevel procedure for inexpensively solving chains of many boundary value problems, such as those arising in the solution of time-dependent problems.

Brandt, A.↗
DOE OSTI2023

Trapping-induced quantum beats in a van-der-Waals heterostructure microcavity observed by two-dimensional micro-spectroscopy

Spatial confinement has been frequently engineered to control the flow and relaxation dynamics of exciton polaritons. While widely investigated in GaAs microcavities, exciton-polariton coupling between discretized polariton modes arising from spatially confined 2D crystals been has been less exhaustively studied. Here, we use coherent 2D photoluminescence-detected micro-spectroscopy to detect oscillating 2D peaks exclusively from a spatial trap in a microcavity with an embedded van-der-Waals heterostructure at room temperature. We observe a wide variation of oscillatory phases as a function of spectral position within the 2D spectrum, which suggests the existence of a coupling between the discretized polariton modes. The latter is accompanied by the generation of coherent phonons.

Materials Science↗
NASA NTRS1983

Helicopter rotor loads using discretized matched asymptotic expansions

The numerical practicality of a matched asymptotic expansion approach for the computation of unsteady three dimensional airloads on a helicopter rotor was improved. This effort utilizes a discretized repesentation of the doublet strength distribution and helical streamlines to decrease the computational requirements of the original analysis. The continuous variation of the doublet strength was approximated by piecewise constant or piecewise quadratic distributions, and the helical trajectory of a fluid particle was approximated by connected straight line segments. As a direct result of these simplified representations the computational time required for the execution of a typical flight condition was reduced by an order of magnitude with respect to the requirements of the original analysis. Airloads which were computed using the discretized method for a two bladed model rotor and a full scale four bladed rotor are in close agreement with measured results and airloads from the original asymptotic analysis. For conditions characterized by significant rotor/wake interaction the piecewise constant representation requires a reduced azimuth spacing to maintain acceptable accuracy.

Pierce, G. A.↗
DOE OSTI2020

Detection Limits and Near‐Field Ground Motions of Fast and Slow Earthquakes

Abstract We investigate theoretical limits to detection of fast and slow seismic events, and spatial variations of ground motion expected from M 6 earthquakes at short epicentral distances. The analyses are based on synthetic velocity seismograms calculated with the discrete wavenumber method assuming seismic velocities and attenuation properties of the crust in Southern California. The examined source properties include different magnitudes ( M −1.0 to M 6.0), static stress drops (0.1–10 MPa), and slow and fast ruptures (0.1–0.9 of shear wave velocity). For the M 6 events we also consider variations in rise times producing crack‐ and pulse‐type events and different rupture directivities. Slow events produce ground motion with considerably lower amplitude than corresponding regular fast earthquakes with the same magnitude, and hence are significantly more difficult to detect. The static stress drop and slip rise time also affect the maximum radiated seismic motion, and hence event detectability. Apart from geometrical factors, the saturation and depletion of seismic ground motion at short epicentral distances stem from radiation pattern, earthquake size (magnitude, stress drop), and rupture directivity. The rupture velocity, rise time, and directivity affect significantly the spatial pattern of the ground motions. The results can help optimizing detection of slow and fast small earthquakes and understand the spatial distribution of ground motion generated by large events.

58 GEOSCIENCES↗
NASA NTRS1989

Discrete-time adaptive control of robot manipulators

A discrete-time model reference adaptive control scheme is developed for trajectory tracking of robot manipulators. Hyperstability theory is utilized to derive the adaptation laws for the controller gain matrices. It is shown that asymptotic trajectory tracking is achieved despite gross robot parameter variation and uncertainties. The method offers considerable design flexibility and enables the designer to improve the performance of the control system by adjusting free design parameters. The discrete-time adaptation algorithm is extremely simple and is therefore suitable for real-time implementation.

Tarokh, M.↗