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DOE OSTI2024

Stellarator equilibrium axis-expansion to all orders in distance from the axis for arbitrary plasma beta

A systematic theory of the asymptotic expansion of the magnetohydrostatics (MHS) equilibrium in the distance from the magnetic axis is developed to include arbitrary smooth currents near the magnetic axis. Compared with the vacuum and the force-free system, an additional magnetic differential equation must be solved to obtain the pressure-driven currents. It is shown that there exist variables in which the rest of the MHS system closely mimics the vacuum system. Thus, a unified treatment of MHS fields is possible. The mathematical structure of the near-axis expansions to arbitrary order is examined carefully to show that the double-periodicity of physical quantities in a toroidal domain can be satisfied order by order. The essential role played by the leading-order Birkhoff–Gustavson normal form in solving the magnetic differential equations is highlighted. Several explicit examples of vacuum, force-free and MHS equilibrium in different geometries are presented.

Physics↗

DOE OSTI2020

High-temperature and high-pressure NMR investigations of low viscous fluids confined in mesoporous systems

Abstract In this contribution, the relaxation and diffusional behaviors of low viscous fluids, water and methanol confined into mesoporous silica and controlled size pore glass were investigated. The engineered porous systems are relevant to geologically important subsurface energy materials. The engineered porous proxies were characterized by Brunauer–Emmett–Teller (BET) surface analyzer, nuclear magnetic resonance (NMR) spectroscopy, and electron microscopy (EM) to determine surface area, pore-wall protonation and morphology of these materials, respectively. The confined behavior of the low viscous fluids was studied by varying pore diameter, fluid-to-solid ratio, temperature, and pressure, and then compared to bulk liquid state. Both relaxation and diffusion behaviors for the confined fluids showed increasing deviation from pure bulk fluids as the fluid-to-solid ratio was decreased, and surface-to-volume ratio ( S / V ) was varied. Variable pressure deuteron NMR relaxation of confined D 2 O and confined methanol, deuterated at the hydroxyl or methyl positions, were performed to exploit the sensitivity of the deuteron quadrupole moment to molecular rotation. The methanol results demonstrated greater pressure dependence than those for water only in bulk. The deviations from bulk liquid behavior arise from different reasons such as confinement and the interactions between confined fluid and the nano-pore wall. The results of the present report give insight into the behavior of low viscosity fluid in nano-confined geometries under different state conditions.

Chemistry↗

NASA NTRS1997

Probabilistic Micromechanics and Macromechanics for Ceramic Matrix Composites

The properties of ceramic matrix composites (CMC's) are known to display a considerable amount of scatter due to variations in fiber/matrix properties, interphase properties, interphase bonding, amount of matrix voids, and many geometry- or fabrication-related parameters, such as ply thickness and ply orientation. This paper summarizes preliminary studies in which formal probabilistic descriptions of the material-behavior- and fabrication-related parameters were incorporated into micromechanics and macromechanics for CMC'S. In this process two existing methodologies, namely CMC micromechanics and macromechanics analysis and a fast probability integration (FPI) technique are synergistically coupled to obtain the probabilistic composite behavior or response. Preliminary results in the form of cumulative probability distributions and information on the probability sensitivities of the response to primitive variables for a unidirectional silicon carbide/reaction-bonded silicon nitride (SiC/RBSN) CMC are presented. The cumulative distribution functions are computed for composite moduli, thermal expansion coefficients, thermal conductivities, and longitudinal tensile strength at room temperature. The variations in the constituent properties that directly affect these composite properties are accounted for via assumed probabilistic distributions. Collectively, the results show that the present technique provides valuable information about the composite properties and sensitivity factors, which is useful to design or test engineers. Furthermore, the present methodology is computationally more efficient than a standard Monte-Carlo simulation technique; and the agreement between the two solutions is excellent, as shown via select examples.

Murthy, Pappu L. N.↗

NASA NTRS2001

Automated Approach to Very High-Order Aeroacoustic Computations

Computational aeroacoustics requires efficient, high-resolution simulation tools. For smooth problems, this is best accomplished with very high-order in space and time methods on small stencils. However, the complexity of highly accurate numerical methods can inhibit their practical application, especially in irregular geometries. This complexity is reduced by using a special form of Hermite divided-difference spatial interpolation on Cartesian grids, and a Cauchy-Kowalewski recursion procedure for time advancement. In addition, a stencil constraint tree reduces the complexity of interpolating grid points that am located near wall boundaries. These procedures are used to develop automatically and to implement very high-order methods (> 15) for solving the linearized Euler equations that can achieve less than one grid point per wavelength resolution away from boundaries by including spatial derivatives of the primitive variables at each grid point. The accuracy of stable surface treatments is currently limited to 11th order for grid aligned boundaries and to 2nd order for irregular boundaries.

Dyson, Rodger W.↗

DOE OSTI2016

DISK–WIND CONNECTION DURING THE HEARTBEATS OF GRS 1915+105

Disk and wind signatures are seen in the soft state of Galactic black holes, while the jet is seen in the hard state. Here we study the disk–wind connection in the ρ class of variability in GRS 1915+105 using a joint NuSTAR – Chandra observation. The source shows 50 s limit cycle oscillations. By including new information provided by the reflection spectrum and using phase-resolved spectroscopy, we find that the change in the inner disk inferred from the blackbody emission is not matched by reflection measurements. The latter is almost constant, independent of the continuum model. The two radii are comparable only if the disk temperature color correction factor changes, an effect that could be due to the changing opacity of the disk caused by changes in metal abundances. The disk inclination is similar to that inferred from the jet axis, and oscillates by ∼10°. The simultaneous Chandra data show the presence of two wind components with velocities between 500 and 5000 km s{sup −1}, and possibly two more with velocities reaching 20,000 km s{sup −1} (∼0.06 c ). The column densities are ∼5 × 10{sup 22} cm{sup −2}. An upper limit to the wind response time of 2 s is measured, implying a launch radius of <6 × 10{sup 10} cm. The changes in wind velocity and absorbed flux require the geometry of the wind to change during the oscillations, constraining the wind to be launched from a distance of 290–1300 r{sub g} from the black hole. Both data sets support fundamental model predictions in which a bulge originates in the inner disk and moves outward as the instability progresses.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Computationally efficient subglacial drainage modelling using Gaussian process emulators: GlaDS-GP v1.0

Subglacial drainage models represent water flow at the ice–bed interface through coupled distributed and channelized systems to determine water pressure, discharge, and drainage system geometry. While they are used to understand processes such as the relationship between surface melt and ice flow, the number of uncertain model parameters and the computational cost of running models makes it difficult to adequately explore the high-dimensional parameter space and evaluate uncertainty in model predictions. Here, we develop Gaussian process (GP) emulators that make fast predictions with associated uncertainty of subglacial drainage model outputs. Using a truncated principal component (PC) basis representation, we construct a GP emulator for diurnally averaged subglacial water pressure. We also explore emulation of scalar variables describing drainage efficiency and configuration. We train the emulators using ensembles of up to 512 simulations varying eight parameters of the Glacier Drainage System (GlaDS) model on a synthetic domain intended to represent an ice-sheet margin. The emulators make predictions ∼ 1000 times faster than GlaDS simulations, with errors <3 % for the water pressure field and ∼ 5 %–9 % for drainage efficiency and configuration. We apply the emulators to explore the eight-dimensional parameter space by computing variance-based parameter sensitivity indices, finding that three parameters (ice flow coefficient, bed bump aspect ratio, and the subglacial cavity system conductivity) explain 90 % of the variance in modelled water pressure in response to parameter changes. The GP emulator approach described here is well suited to integrating observational data with models to make calibrated, credible predictions of subglacial drainage.

58 GEOSCIENCES↗

NASA NTRS2012

Polarimetric Retrievals of Surface and Cirrus Clouds Properties in the Region Affected by the Deepwater Horizon Oil Spill

In 2010, the Goddard Institute for Space Studies (GISS) Research Scanning Polarimeter (RSP) performed several aerial surveys over the region affected by the oil spill caused by the explosion of the Deepwater Horizon offshore platform. The instrument was deployed on the NASA Langley B200 aircraft together with the High Spectral Resolution Lidar (HSRL), which provides information on the distribution of the aerosol layers beneath the aircraft, including an accurate estimate of aerosol optical depth. This work illustrates the merits of polarization measurements in detecting variations of ocean surface properties linked to the presence of an oil slick. In particular, we make use of the degree of linear polarization in the glint region, which is severely affected by variations in the refractive index but insensitive to the waviness of the water surface. Alterations in the surface optical properties are therefore expected to directly affect the polarization response of the RSP channel at 2264 nm, where both molecular and aerosol scattering are negligible and virtually all of the observed signal is generated via Fresnel reflection at the surface. The glint profile at this wavelength is fitted with a model which can optimally estimate refractive index, wind speed and direction, together with aircraft attitude variations affecting the viewing geometry. The retrieved refractive index markedly increases over oil-contaminated waters, while the apparent wind speed is significantly lower than in adjacent uncontaminated areas, suggesting that the slick dampens high-frequency components of the ocean wave spectrum. The constraint on surface reflectance provided by the short-wave infrared channels is a cornerstone of established procedures to retrieve atmospheric aerosol microphysical parameters based on the inversion of the RSP multispectral measurements. This retrieval, which benefits from the ancillary information provided by the HSRL, was in this specific case hampered by prohibitive variability in atmospheric conditions (very inhomogeneous aerosol distribution and cloud cover). Although the results presented for the surface are essentially unaffected, we discuss the results obtained by typing algorithms in sorting the complex mix of aerosol types, and show evidence of oriented ice in cirrus clouds present in the area. In this context, polarization measurements at 1880 nm were used to infer ice habit and cirrus optical depth, which was found in the subvisual/threshold-visible regime, confirming the utility of the aforementioned RSP channel for the remote sensing of even thin cold clouds.

Polarization↗

NASA NTRS2018

Parametric Analysis of Aircraft WingWeight Using Low-Order Physics-Based Analysis

In the conceptual aircraft design phase, prediction of the empty weight typically relies on empirically-based regression equations which execute quickly and require little detailed information about the internal structural layout. Since they are based on existing aircraft, however, empirical methods can lose their validity for newer technologies and unconventional configurations. Designers can transition to higher-order, physics-based analysis methods to improve the accuracy of the weight prediction, but at the cost of complex model setup and increased computational time. This paper describes a methodology for low-order aero-structural analysis of conceptual aircraft configurations that increases the use of physics-based analysis in conceptual design, but is less complex and time-consuming than higher-order methods such as finite-element analysis. The methodology uses Vehicle Sketch Pad (OpenVSP) to model the aircraft geometry, and ASWING to perform the aero-structural analysis. The internal forces and moments from the ASWING analysis are post-processed to calculate the resulting direct and shear stresses in the structure, and the thickness distributions of the aircraft components are varied to match the maximum von Mises stress at each cross section to the material allowable. To offset the increased computational time relative to empirical weight equations, a process is studied which uses parametric variation to develop a regression equation relating the weight of the aircraft wing to major design variables. This new weight equation is similar to existing empirical equations, but is built using the more physics-based methodology; the new equation could be used to augment or replace portions of the empirical database to improve the validity of the wing weight prediction for unconventional configurations and advanced technologies.

Olson, Erik D.↗

NASA NTRS2006

The Character and Variability of the Eta Carinae Wind Lines

The binarity of Eta Carinae has been debated for a long time. We have searched for more evidence for a companion star in a spectroscopic investigation of the Eta Carinae stellar wind lines, using moderate spectral and high angular resolution HST/STIS data. Over Eta Carinae's 5.54 year spectroscopic period many of the observable wind lines in the NUV/Optical spectral region exhibit peculiar line profiles with unusual velocity shifts relative to the system velocity. Some of the lines are exclusively blue-shifted over the entire cycle. Their ionization/excitation imply formation not in the stellar wind but rather in the interface between the two massive stars. We have analyzed velocity and intensity variations over the spectroscopic period and interpreted what the variations tell us about the geometry of the nebular structure close to Eta Carinae.

Nielsen, K. E.↗

DOE OSTI2022

Computational Study of Variable Fuel-Air Ratio and Hydrogen Doping in a Rotating Detonation Engine

Rotating detonation engines (RDEs) hold great promise as a technology for powering aviation engines. The pressure gain that results from continuously traversing detonation waves enables high theoretical performance compared to deflagration-based combustion. However, the harsh operating conditions inside an RDE restrict the availability of suitable experimental diagnostics to study these systems in detail and the range of spatial and temporal scales render numerical simulations of these systems difficult. In this study, we have combined adaptive mesh refinement and a robust shock-capturing approach to study RDE systems computationally using the compressible, reactive solver PeleC. Multi-species transport along with compressible Navier-Stokes equations are solved in the model along with finite-rate chemistry. Complex geometries are represented using an embedded boundary method with second-order spatial accuracy and the system is evolved in time using a second-order Runge-Kutta method. We present studies of a methane-air RDE system that is doped with varying levels of hydrogen. Our analysis focusses on how fuel mixture and doping levels effect the detonation flame structure and the generation of multiple wave modes.

ADVANCED PROPULSION SYSTEMS↗

NASA NTRS1974

Geodesic synchrotron radiation in the Kerr geometry by the method of asymptotically factorized Green's functions

The scalar, electromagnetic, and gravitational geodesic-synchrotron-radiation (GSR) spectra are determined for the case of a test particle moving on a highly relativistic circular orbit about a rotating (Kerr) black hole. It is found that the spectral shape depends only weakly on the value of the angular-momentum parameter (a/M) of the black hole, but the total radiated power drops unexpectedly for a value of at least 0.95 and vanishes as the value approaches unity. A spin-dependent factor (involving the inner product of the polarization of a radiated quantum with the source) is isolated to explain the dependence of the spectral shape on the spin of the radiated field. Although the scalar wave equation is solved by separation of variables, this procedure is avoided for the vector and tensor cases by postulating a sum-over-states expansion for the Green's function similar to that found to hold in the scalar case. The terms in this sum, significant for GSR, can then be evaluated in the geometric-optics approximation without requiring the use of vector or tensor spherical harmonics.

Chrzanowski, P. L.↗

DOE OSTI2021

Optimal design of acoustic metamaterial cloaks under uncertainty

In this work, we consider the problem of optimal design of an acoustic cloak under uncertainty and develop scalable approximation and optimization methods to solve this problem. The design variable is taken as an infinite-dimensional spatially-varying field that represents the material property, while an additive infinite-dimensional random field represents the variability of the material property or the manufacturing error. Discretization of this optimal design problem results in high-dimensional design variables and uncertain parameters. To solve this problem, we develop a computational approach based on a Taylor approximation and an approximate Newton method for optimization, which is based on a Hessian derived at the mean of the random field. We show our approach is scalable with respect to the dimension of both the design variables and uncertain parameters, in the sense that the necessary number of acoustic wave propagations is essentially independent of these dimensions, for numerical experiments with up to one million design variables and half a million uncertain parameters. Additionally, we demonstrate that, using our computational approach, an optimal design of the acoustic cloak that is robust to material uncertainty is achieved in a tractable manner. The optimal design under uncertainty problem is posed and solved for the classical circular obstacle surrounded by a ring-shaped cloaking region, subjected to both a single-direction single-frequency incident wave and multiple-direction multiple-frequency incident waves. Finally, we apply the method to a deterministic large-scale optimal cloaking problem with complex geometry, to demonstrate that the approximate Newton method’s Hessian computation is viable for large, complex problems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Two excited-state datasets for quantum chemical UV-vis spectra of organic molecules

Abstract We present two open-source datasets that provide time-dependent density-functional tight-binding (TD-DFTB) electronic excitation spectra of organic molecules. These datasets represent predictions of UV-vis absorption spectra performed on optimized geometries of the molecules in their electronic ground state. The GDB-9-Ex dataset contains a subset of 96,766 organic molecules from the original open-source GDB-9 dataset. The ORNL_AISD-Ex dataset consists of 10,502,904 organic molecules that contain between 5 and 71 non-hydrogen atoms. The data reveals the close correlation between the magnitude of the gaps between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO), and the excitation energy of the lowest singlet excited state energies quantitatively. The chemical variability of the large number of molecules was examined with a topological fingerprint estimation based on extended-connectivity fingerprints (ECFPs) followed by uniform manifold approximation and projection (UMAP) for dimension reduction. Both datasets were generated using the DFTB+ software on the “Andes” cluster of the Oak Ridge Leadership Computing Facility (OLCF).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2005

Tracing Material Flow Paths in Friction Stir Welds

Heat and mechanical work are coupled in the friction stir welding process. The process variables are RPM, translational weld speed, and downward plunge force. The strain-temperature history of a metal element at each point on the cross-section of the weld is determined by the process variables plus the individual flow path taken by the particular filament of metal flowing around the tool and ending on flat point. The strain-temperature history determines the properties of a metal element on the weld cross-section. The strain-temperature history is carefully controlled in metal processes where direct control is feasible. Indirect estimates of the flow paths and the strain-temperature histories of filaments comprising friction stir welds can be made from a model, if the model is good enough. This paper describes marker studies of flow path geometries for various process parameters. Observed geometries are compared with geometries estimated from models.

Sanders, Johnny↗

DOE OSTI2021

TESS cycle 1 observations of roAp stars with 2-min cadence data

ABSTRACT We present the results of a systematic search for new rapidly oscillating Ap (roAp) stars using the 2-min cadence data collected by the Transiting Exoplanet Survey Satellite (TESS) during its Cycle 1 observations. We identify 12 new roAp stars. Amongst these stars we discover the roAp star with the longest pulsation period, another with the shortest rotation period, and six with multiperiodic variability. In addition to these new roAp stars, we present an analysis of 44 known roAp stars observed by TESS during Cycle 1, providing the first high-precision and homogeneous sample of a significant fraction of the known roAp stars. The TESS observations have shown that almost 60 per cent (33) of our sample of stars are multiperiodic, providing excellent cases to test models of roAp pulsations, and from which the most rewarding asteroseismic results can be gleaned. We report four cases of the occurrence of rotationally split frequency multiplets that imply different mode geometries for the same degree modes in the same star. This provides a conundrum in applying the oblique pulsator model to the roAp stars. Finally, we report the discovery of non-linear mode interactions in α Cir (TIC 402546736, HD 128898) around the harmonic of the principal mode – this is only the second case of such a phenomenon.

Holdsworth, D. L.↗

DOE OSTI2020

PAMTRA 1.0: the Passive and Active Microwave radiative TRAnsfer tool for simulating radiometer and radar measurements of the cloudy atmosphere

Forward models are a key tool to generate synthetic observations given knowledge of the atmospheric state. In this way, they are an integral part of inversion algorithms that aim to retrieve geophysical variables from observations or in data assimilation. Their application for the exploitation of the full information content of remote sensing observations becomes increasingly important when these are used to evaluate the performance of cloud-resolving models (CRMs). Herein, CRM profiles or fields provide the input to the forward model whose simulation results are subsequently compared to the observations. This paper introduces the freely available comprehensive microwave forward model PAMTRA (Passive and Active Microwave TRAnsfer), demonstrates its capabilities to simulate passive and active measurements across the microwave spectral region for upward- and downward-looking geometries, and illustrates how the forward simulations can be used to evaluate CRMs and to interpret measurements to improve our understanding of cloud processes. PAMTRA is unique as it treats passive and active radiative transfer (RT) in a consistent way with the passive forward model providing upwelling and downwelling polarized brightness temperatures and radiances for arbitrary observation angles. The active part is capable of simulating the full radar Doppler spectrum and its moments. PAMTRA is designed to be flexible with respect to instrument specifications and interfaces to many different formats of input and output, especially CRMs, spanning the range from bin-resolved microphysical output to one- and two-moment schemes, and to in situ measured hydrometeor properties. A specific highlight is the incorporation of the self-similar Rayleigh–Gans approximation (SSRGA) for both active and passive applications, which becomes especially important for the investigation of frozen hydrometeors.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2013

Aerodynamic Investigation of Incidence Angle Effects in a Large Scale Transonic Turbine Cascade

Aerodynamic measurements showing the effects of large incidence angle variations on an HPT turbine blade set are presented. Measurements were made in NASA's Transonic Turbine Blade Cascade Facility which has been used in previous studies to acquire detailed aerodynamic and heat transfer measurements for CFD code validation. The current study supports the development of variable-speed power turbine (VSPT) speed-change technology for the NASA Large Civil Tilt Rotor (LCTR) vehicle. In order to maintain acceptable main rotor propulsive efficiency, the VSPT operates over a nearly 50 percent speed range from takeoff to altitude cruise. This results in 50deg or more variations in VSPT blade incidence angles. The cascade facility has the ability to operate over a wide range of Reynolds numbers and Mach numbers, but had to be modified in order to accommodate the negative incidence angle variation required by the LCTR VSPT operation. Using existing blade geometry with previously acquired aerodynamic data, the tunnel was re-baselined and the new incidence angle range was exercised. Midspan exit total pressure and flow angle measurements were obtained at seven inlet flow angles. For each inlet angle, data were obtained at five flow conditions with inlet Reynolds numbers varying from 6.83×10(exp 5) to 0.85×10(exp 5) and two isentropic exit Mach numbers of 0.74 and 0.34. The midspan flowfield measurements were acquired using a three-hole pneumatic probe located in a survey plane 8.6 percent axial chord downstream of the blade trailing edge plane and covering three blade passages. Blade and endwall static pressure distributions were also acquired for each flow condition.

McVetta, Ashlie B.↗

NASA NTRS2012

Aerodynamic Investigation of Incidence Angle Effects in a Large Scale Transonic Turbine Cascade

Aerodynamic measurements showing the effects of large incidence angle variations on an HPT turbine blade set are presented. Measurements were made in NASA's Transonic Turbine Blade Cascade Facility which has been used in previous studies to acquire detailed aerodynamic and heat transfer measurements for CFD code validation. The current study supports the development of variable-speed power turbine (VSPT) speed-change technology for the NASA Large Civil Tilt Rotor (LCTR) vehicle. In order to maintain acceptable main rotor propulsive efficiency, the VSPT operates over a nearly 50% speed range from takeoff to altitude cruise. This results in 50 degrees or more variations in VSPT blade incidence angles. The cascade facility has the ability to operate over a wide range of Reynolds numbers and Mach numbers, but had to be modified in order to accommodate the negative incidence angle variation required by the LCTR VSPT operation. Using existing blade geometry with previously acquired aerodynamic data, the tunnel was re-baselined and the new incidence angle range was exercised. Midspan exit total pressure and flow angle measurements were obtained at seven inlet flow angles. For each inlet angle, data were obtained at five flow conditions with inlet Reynolds numbers varying from 6.83 × 10(exp 5) to 0.85 ×10(exp 5) and two isentropic exit Mach numbers of 0.74 and 0.34. The midspan flowfield measurements were acquired using a three-hole pneumatic probe located in a survey plane 8.6% axial chord downstream of the blade trailing edge plane and covering three blade passages. Blade and endwall static pressure distributions were also acquired for each flow condition

McVetta, Ashlie B.↗