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NASA NTRS1991

nu-2 band of H2 O-16 - Line strengths and transition frequencies

High-resolution spectra of H2 O-16 were recorded with a Fourier-transform spectrometer covering transitions in the (010)-(000) band from 1066 to 2582/cm. The measured line frequencies were used along with additional data taken from studies at microwave and far-infrared frequencies in an analysis to obtain rotational energies of levels in the (000) and (010) states. Measurements of the line strengths were fitted by least squares to a model in which the dipole moment matrix elements were represented by as many as 19 expansion coefficients. The results produced computed line strength values that are in excellent agreement, on the average, with the 874 experimental transitions included in the analysis. These results provide a more accurate representation of the line positions and strengths for the (010)-(000) band than are currently available on the HITRAN absorption line parameter compilation.

Toth, Robert A.↗

NASA NTRSDate not supplied

Latest Results from NASA Ames’ COSmIC and Optical Constants Facility (OCF): Determining Optical Constants for Titan, Pluto and Protoplanetary Disks Applications

The NASA Ames COsmic SImulation Chamber (COSmIC) is a unique experimental facility that can be used, among many applications, to produce solid particles from gas phase molecular precursors at low temperature (150 K) using a plasma discharge to induce the chemistry in the stream of a free jet expansion. The choice of the initial gas mixture used to produce the solid sample allows the simulation of either cold planetary atmospheres like Titan or Pluto (with N2/CH4-based initial mixtures), or circumstellar environments (with Ar/CxHy-based initial mixtures). The Ames Optical Constants Facility (OCF) allows the determination of optical constants covering a broad wavelength range with high spectral resolution for solid materials, analogs of organic refractory materials formed in planetary and astrophysical environments. The core of the OCF is a Fourier transform infrared (FTIR) spectrometer that allows the continuous characterization of solid samples in the visible to far-infrared (FIR) range (0.59–200 μm, 16,950–50 cm−1). Modeling of the laboratory measurements conducted with the OCF allows the determination of accurate optical constants, n and k, over the full vis-FIR range. Here we present the latest results of two studies that combined (1) experiments performed with COSmIC to produce analogs of aerosols forming in Titan’s atmosphere and analogs of cosmic grains forming in circumstellar envelops, and (2) the characterization of these analogs with the OCF to provide the real and imaginary parts of their refractive indices, n + ik, to the community, from the visible to the FIR. These optical constants can be used as critical input parameters in radiative transfer, atmospheric and reflectance models to interpret observational data of, e.g., Titan’s atmosphere and protoplanetary disks. Providing optical constants for various materials of different compositions allows to explore a broad range of composition by simulating mixtures of materials. We also present a new project to produce analogs of Pluto’s atmospheric aerosols with COSmIC and determine their optical constants with OCF, to be used in reflectance spectra models for the interpretation of New Horizons observations of Lowell Regio, Sputnik Planitia and Cthulhu.

COsmic SImulation Chamber (COSmIC)↗

NASA NTRS1988

Free vibration of rectangular plates with a small initial curvature

The method of matched asymptotic expansions is used to solve the transverse free vibration of a slightly curved, thin rectangular plate. Analytical results for natural frequencies and mode shapes are presented in the limit when the dimensionless bending rigidity, epsilon, is small compared with in-plane forces. Results for different boundary conditions are obtained when the initial deflection is: (1) a polynomial in both directions, and (2) the product of a polynomial and a trigonometric function, and arbitrary. For the arbitrary initial deflection case, the Fourier series technique is used to define the initial deflection. The results obtained show that the natural frequencies of vibration of slightly curved plates are coincident with those of perfectly flat, prestressed rectangular plates. However, the eigenmodes are very different from those of initially flat prestressed rectangular plates. The total deflection is found to be the sum of the initial deflection, the deflection resulting from the solution of the flat plate problem, and the deflection resulting from the static problem.

Adeniji-Fashola, A. A.↗

DOE OSTI2022

Integrating a ponderomotive guiding center algorithm into a quasi-static particle-in-cell code based on azimuthal mode decomposition

High fidelity modeling of plasma based acceleration (PBA) requires the use of three dimensional, fully nonlinear, and kinetic descriptions based on the particle-in-cell (PIC) method. In PBA an intense particle beam or laser (driver) propagates through a tenuous plasma whereby it excites a plasma wave wake. Three-dimensional PIC algorithms based on the quasi-static approximation (QSA) have been successfully applied to efficiently model the interaction between relativistic charged particle beams and plasma. In a QSA PIC algorithm, the plasma response to a charged particle beam or laser driver is calculated based on forces from the driver and self-consistent forces from the QSA form of Maxwell's equations. These fields are then used to advance the charged particle beam or laser forward by a large time step. Since the time step is not limited by the regular Courant-Friedrichs-Lewy (CFL) condition that constrains a standard 3D fully electromagnetic PIC code, a 3D QSA PIC code can achieve orders of magnitude speedup in performance. Recently, a new hybrid QSA PIC algorithm that combines another speedup technique known as an azimuthal Fourier decomposition has been proposed and implemented. This hybrid algorithm decomposes the electromagnetic fields, charge and current density into azimuthal harmonics and only the Fourier coefficients need to be updated, which can reduce the algorithmic complexity of a 3D code to that of a 2D code. Modeling the laser-plasma interaction in a full 3D electromagnetic PIC algorithm is very computationally expensive due the enormous disparity of physical scales to be resolved. In the QSA the laser is modeled using the ponderomotive guiding center (PGC) approach. We describe how to implement a PGC algorithm compatible for the QSA PIC algorithms based on the azimuthal mode expansion. Here this algorithm permits time steps orders of magnitude larger than the cell size and it can be asynchronously parallelized. Details on how this is implemented into the QSA PIC code that utilizes an azimuthal mode expansion, QPAD, are also described. Benchmarks and comparisons between a fully 3D explicit PIC code (OSIRIS), as well as a few examples related to laser wakefield acceleration, are presented.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

On the influence of over-parameterization in manifold based surrogates and deep neural operators

Constructing accurate and generalizable approximators (surrogate models) for complex physico-chemical processes exhibiting highly non-smooth dynamics is challenging. The main question is what type of surrogate models we should construct and should these models be under-parameterized or over-parameterized. In this work, we propose new developments and perform comparisons for two promising approaches: manifold-based polynomial chaos expansion (m-PCE) and the deep neural operator (DeepONet), and we examine the effect of over-parameterization on generalization. While m-PCE enables the construction of a mapping by first identifying low-dimensional embeddings of the input functions, parameters, and quantities of interest (QoIs), a neural operator learns the nonlinear mapping via the use of deep neural networks. Here, we demonstrate the performance of these methods in terms of generalization accuracy by solving the 2D time-dependent Brusselator reaction-diffusion system with uncertainty sources, modeling an autocatalytic chemical reaction between two species. We first propose an extension of the m-PCE by constructing a mapping between latent spaces formed by two separate embeddings of the input functions and the output QoIs. To further enhance the accuracy of the DeepONet, we introduce weight self-adaptivity in the loss function. We demonstrate that the performance of m-PCE and DeepONet is comparable for cases of relatively smooth input-output mappings. However, when highly non-smooth dynamics is considered, DeepONet shows higher approximation accuracy. We also find that for m-PCE, modest over-parameterization leads to better generalization, both within and outside of distribution, whereas aggressive over-parameterization leads to over-fitting. In contrast, an even highly over-parameterized DeepONet leads to better generalization for both smooth and non-smooth dynamics. Furthermore, we compare the performance of the above models with another recently proposed operator learning model, the Fourier Neural Operator, and show that its over-parameterization also leads to better generalization. Taken together, our studies show that m-PCE can provide very good accuracy at very low training cost, whereas a highly over-parameterized DeepONet can provide better accuracy and robustness to noise but at higher training cost. In both methods, the inference cost is negligible.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1992

Application of velocity filtering to optical-flow passive ranging

The performance of the velocity filtering method as applied to optical-flow passive ranging under real-world conditions is evaluated. The theory of the 3-D Fourier transform as applied to constant-speed moving points is reviewed, and the space-domain shift-and-add algorithm is derived from the general 3-D matched filtering formulation. The constant-speed algorithm is then modified to fit the actual speed encountered in the optical flow application, and the passband of that filter is found in terms of depth (sensor/object distance) so as to cover any given range of depths. Two algorithmic solutions for the problems associated with pixel interpolation and object expansion are developed, and experimental results are presented.

Barniv, Yair↗

NASA NTRS1993

Determining XV-15 aeroelastic modes from flight data with frequency-domain methods

The XV-15 tilt-rotor wing has six major aeroelastic modes that are close in frequency. To precisely excite individual modes during flight test, dual flaperon exciters with automatic frequency-sweep controls were installed. The resulting structural data were analyzed in the frequency domain (Fourier transformed). All spectral data were computed using chirp z-transforms. Modal frequencies and damping were determined by fitting curves to frequency-response magnitude and phase data. The results given in this report are for the XV-15 with its original metal rotor blades. Also, frequency and damping values are compared with theoretical predictions made using two different programs, CAMRAD and ASAP. The frequency-domain data-analysis method proved to be very reliable and adequate for tracking aeroelastic modes during flight-envelope expansion. This approach required less flight-test time and yielded mode estimations that were more repeatable, compared with the exponential-decay method previously used.

Acree, C. W., Jr.↗

NASA NTRS1989

Linestrengths of the nu(2) and nu(4) bands of (C-12)H4 and (C-13)H4

Absorption spectra recorded on the high-resolution Fourier transform spectrometer at Kitt Peak National Observatory/National Solar Observatory were used to measure individual line strengths of the nu(2) and nu(4) bands of (C-12)H4 and (C-13)H4. The measurements were used to obtain expressions that could be used to correctly predict individual line strengths through five orders of magnitude of absorption strength and high values of J-prime. Transition strengths were modeled using the dyad formalism of two interacting bands and a seven-term second-order dipole-moment expansion. The successful fitting of these data indicates that the method can be used to model measurements of 2- to 5-percent precision even at high values of J. For remote sensing applications, the present prediction of the dyad spectrum represents a substantial improvement.

Brown, L. R.↗

NASA NTRS1987

Experiments on the applicability of MAE techniques for predicting sound diffraction by irregular terrains

The sound field diffracted by a single smooth hill of finite impedance is studied both analytically, within the context of the theory of Matched Asymptotic Expansions (MAE), and experimentally, under laboratory scale modeling conditions. Special attention is given to the sound field on the diffracting surface and throughout the transition region between the illuminated and the shadow zones. The MAE theory yields integral equations that are amenable to numerical computations. Experimental results are obtained with a spark source producing a pulse of 42 microsec duration and about 130 Pa at 1 m. The insertion loss of the hill is inferred from measurements of the acoustic signals at two locations in the field, with subsequent Fourier analysis on an IBM PC/AT. In general, experimental results support the predictions of the MAE theory, and provide a basis for the analysis of more complicated geometries.

Berthelot, Yves H.↗

DOE OSTI2020

Analysis of the Stable Interphase Responsible for the Excellent Electrochemical Performance of Graphite Electrodes in Sodium-Ion Batteries

Considerable efforts have been exerted to understand the formation and properties of the solid electrolyte interphase (SEI) in sodium ion batteries. However, the puzzling existence and role of SEI behind the huge volume changes of the graphite electrodes need to be answered. Herein, the reason of how ether-derived SEI maintains excellent reversibility despite the huge volume changes during cycling is unraveled. Theoretical simulations and Fourier-transform infrared spectroscopy demonstrate the formation mechanism of an SEI between the graphite anode and electrolyte. Furthermore, the high mechanical tolerance of the ether-derived SEI is confirmed in atomic force microscopy. A depth profile of X-ray photoelectron spectroscopy points to a multilayer structure of the ether-derived SEI. The outer layer comprises organics (sodium alkoxide), while the inorganics (Na 2 CO 3 , NaF) in interior region are mixed with some organics. Notably, the presence of organics ensures the adaptability of the SEI to the volume expansion of graphite during cycling, and the concentrated distribution of inorganics improves the Young's modulus (resistance to deformation). Therefore, the graphite anode exhibits high cycle stability (96.6% capacity retention ratio at 1 A g –1 over 860 cycles) and efficiency (≈99.5%).

25 ENERGY STORAGE↗

NASA NTRS1988

The gamma 1 and gamma 3 bands of (16)O3: Line positions and intensities

Using 0.005/cm-resolution Fourier transform spectra of samples of ozone, the gamma 1 and gamma 3 bands of (16)O3 have been reanalyzed to obtain accurate line positions and an extended set of upper state rotational levels (J up to 69, K sub a up to 20). Combined with the available microwave data, these upper state rotational levels were satisfactorily fitted using a Hamiltonian which takes explicitly into account the strong Coriolis interaction affecting the rotational levels of these two interacting states. In addition, 350 relative line intensities were measured from which the rotational expansions of the transition moment operators for the gamma 1 and gamma 3 states have been deduced. Finally, a complete listing of line positions, intensities, and lower state energies of the gamma 1 and gamma 3 bands of (16)O3 has been generated.

Flaud, J.-M.↗

NASA NTRS1998

Vortex/Body Interaction and Sound Generation in Low-Speed Flow

The problem of sound generation by vortices interacting with an arbitrary body in a low-speed flow has been investigated by the method of matched asymptotic expansions. For the purpose of this report, it is convenient to divide the problem into three parts. In the first part the mechanism of the vortex/body interaction, which is essentially the inner solution in the inner region, is examined. The trajectories for a system of vortices rotating about their centroid are found to undergo enormous changes after interaction; from this, some interesting properties emerged. In the second part, the problem is formulated, the outer solution is found, matching is implemented, and solutions for acoustic pressure are obtained. In the third part, Fourier integrals are evaluated and predicated results presented. An examination of these results reveals the following: (a) the background noise can be either augmented or attenuated by a body after interaction, (b) sound generated by vortex/body interaction obeys a scaling factor, (C) sound intensity can be reduced substantially by positioning the vortex system in the "favorable" side of the body instead of the "unfavorable" side, and (d) acoustic radiation from vortex/bluff-body interaction is less than that from vortex/airfoil interaction under most circumstances.

Kao, Hsiao C.↗

DOE OSTI2023

Implementation of Distributed Memory Computing in MOSAIC to Enable Large 3D Simulations of Irradiated Concrete

The concrete biological shield (CBS) of light-water reactors protects workers and the surrounding environment by absorbing neutron and gamma irradiation emitted from the reactor core. The radiation dose increases with the CBS’s operational time and, in the long term, becomes significant enough to raise the question of irradiation effects on concrete—and particularly on the structural integrity of the CBS. Irradiation-induced damage has been identified as one of the main degradation mechanisms in the CBS. Neutron radiation causes the swelling of aggregate-forming minerals at different rates and amplitudes depending on the mineral’s nature. Silicate-bearing minerals such as quartz are particularly sensitive to neutron radiation and experience up to 17.8% volumetric expansion. Aggregates comprise several minerals with different orientations and are, therefore, subject to cracking as a result of mismatch strains. Additionally, the swelling of aggregates creates significant stresses in the surrounding cement paste matrix, which also results in crack formation. In parallel with the collection of characterization and irradiation test data, development of modeling and simulation tools for irradiated concrete is ongoing with the support of the US Department of Energy Office of Nuclear Energy’s Light Water Reactor Sustainability (LWRS) program. This effort resulted in the development and application of the fast-Fourier transform (FFT)–based code Microstructure-Oriented Scientific Analysis of Irradiated Concrete (MOSAIC) at Oak Ridge National Laboratory.

61 RADIATION PROTECTION AND DOSIMETRY↗

NASA NTRS1987

A low dimensional dynamical system for the wall layer

Low dimensional dynamical systems which model a fully developed turbulent wall layer were derived.The model is based on the optimally fast convergent proper orthogonal decomposition, or Karhunen-Loeve expansion. This decomposition provides a set of eigenfunctions which are derived from the autocorrelation tensor at zero time lag. Via Galerkin projection, low dimensional sets of ordinary differential equations in time, for the coefficients of the expansion, were derived from the Navier-Stokes equations. The energy loss to the unresolved modes was modeled by an eddy viscosity representation, analogous to Heisenberg's spectral model. A set of eigenfunctions and eigenvalues were obtained from direct numerical simulation of a plane channel at a Reynolds number of 6600, based on the mean centerline velocity and the channel width flow and compared with previous work done by Herzog. Using the new eigenvalues and eigenfunctions, a new ten dimensional set of ordinary differential equations were derived using five non-zero cross-stream Fourier modes with a periodic length of 377 wall units. The dynamical system was integrated for a range of the eddy viscosity prameter alpha. This work is encouraging.

Aubry, N.↗

DOE OSTI2022

Effective bias expansion for 21-cm cosmology in redshift space

A near-future detection of the 21-cm signal from the epoch of reionization will provide unique opportunities to probe the underlying cosmology, provided that such cosmological information can be extracted with precision. To this end, we further develop effective field theory (EFT) inspired techniques for the 21-cm brightness temperature field during the epoch of reionization, incorporating renormalized bias and a treatment of redshift space distortions. Notably, we confirm that in redshift space, measures of the 21-cm brightness, e.g., the power spectrum, should have irreducible contributions that lack a bias coefficient and therefore contain direct, astrophysics-free information about the cosmological density field; in this work, we study this effect beyond linear order. To validate our theoretical treatment, we fit the predicted EFT Fourier-space shapes to the thesan suite of hydrodynamical simulations of reionization at the field level, where the considerable number of modes prevents overfitting. We find agreement at the level of a few percent between the 21-cm power spectrum from the EFT fits and simulations over the wave number range k ≲ 0.8 h/Mpc and neutral fraction x HI ≳ 0.4, which is imminently measurable by the Hydrogen Epoch of Reionization Array and future experiments. Furthermore, the ability of the EFT to describe the 21-cm signal extends to simulations that have different astrophysical prescriptions for reionization as well as simulations with interacting dark matter.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2003

Genetic Algorithm Phase Retrieval for the Systematic Image-Based Optical Alignment Testbed

Phase retrieval requires calculation of the real-valued phase of the pupil fimction from the image intensity distribution and characteristics of an optical system. Genetic 'algorithms were used to solve two one-dimensional phase retrieval problem. A GA successfully estimated the coefficients of a polynomial expansion of the phase when the number of coefficients was correctly specified. A GA also successfully estimated the multiple p h e s of a segmented optical system analogous to the seven-mirror Systematic Image-Based Optical Alignment (SIBOA) testbed located at NASA s Marshall Space Flight Center. The SIBOA testbed was developed to investigate phase retrieval techniques. Tiphilt and piston motions of the mirrors accomplish phase corrections. A constant phase over each mirror can be achieved by an independent tip/tilt correction: the phase Conection term can then be factored out of the Discrete Fourier Tranform (DFT), greatly reducing computations.

Taylor, Jaime↗

NASA NTRS1994

Steady Secondary Momentum and Enthalpy Streaming in the Pulse Tube Refrigerator

Our study investigates the steady secondary streaming that occurs in the pulse tube refrigerator through application of the conservation laws and support by flow visualization experiments. A series expansion of the mass, momentum and energy conservation laws for an axisymmetric system yields a set of linear differential equations. The series solution is expanded in the small parameter epsilon = 1/Str where Str is the Strouhal number. The O(1) basic flow problem is solved for the case of a compressible ideal gas oscillating within a cylindrical tube. The phase and amplitude of the boundary conditions on axial velocity are treated as independent parameters. The basic solution for the gas domain is solved for the case of temperature and heat flux coupling to the tube wall. The temperature coupled solution shows how the Fourier number of the tube wall affects the gas temperature, phase angle, and time-averaged enthalpy flow. The basic solution is also examined for the time-averaged Reynolds stresses which are shown to be the driving force that produces steady secondary momentum streaming. Calculated solutions to the steady momentum streaming are shown to be in qualitative agreement with flow visualization experiments.

Lee, J. M.↗

NASA NTRS1988

An adaptive pseudospectral method for discontinuous problems

The accuracy of adaptively chosen, mapped polynomial approximations is studied for functions with steep gradients or discontinuities. It is shown that, for steep gradient functions, one can obtain spectral accuracy in the original coordinate system by using polynomial approximations in a transformed coordinate system with substantially fewer collocation points than are necessary using polynomial expansion directly in the original, physical, coordinate system. It is also shown that one can avoid the usual Gibbs oscillation associated with steep gradient solutions of hyperbolic pde's by approximation in suitably chosen coordinate systems. Continuous, high gradient solutions are computed with spectral accuracy (as measured in the physical coordinate system). Discontinuous solutions associated with nonlinear hyperbolic equations can be accurately computed by using an artificial viscosity chosen to smooth out the solution in the mapped, computational domain. Thus, shocks can be effectively resolved on a scale that is subgrid to the resolution available with collocation only in the physical domain. Examples with Fourier and Chebyshev collocation are given.

Augenbaum, Jeffrey M.↗