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DOE OSTI2023

EPiC-GAN: Equivariant point cloud generation for particle jets

With the vast data-collecting capabilities of current and future high-energy collider experiments, there is an increasing demand for computationally efficient simulations. Generative machine learning models enable fast event generation, yet so far these approaches are largely constrained to fixed data structures and rigid detector geometries. In this paper, we introduce EPiC-GAN - equivariant point cloud generative adversarial network - which can produce point clouds of variable multiplicity. This flexible framework is based on deep sets and is well suited for simulating sprays of particles called jets. The generator and discriminator utilize multiple EPiC layers with an interpretable global latent vector. Crucially, the EPiC layers do not rely on pairwise information sharing between particles, which leads to a significant speed-up over graph- and transformer-based approaches with more complex relation diagrams. We demonstrate that EPiC-GAN scales well to large particle multiplicities and achieves high generation fidelity on benchmark jet generation tasks.

Buhmann, Erik↗

NASA NTRS1991

Solution of three-dimensional afterbody flow using reduced Navier-Stokes equations

The flow over afterbody geometries was investigated using the reduced Navier-Stokes (RNS) approximation. Both pressure velocity flux-split and composites velocity primitive variable formulations were considered. Pressure or pseudopotential relaxation procedures are combined with sparse matrix or coupled strongly implicit algorithms to form a three-dimensional solver for general non-orthogonal coordinates. Three-dimensional subsonic and transonic viscous/inviscid interacting flows were evaluated. Solutions with and without regions of recirculation were obtained.

Almahroos, H. M. H.↗

NASA NTRS2003

Computations of Internal and External Axisymmetric Nozzle Aerodynamics at Transonic Speeds

Computational Fluid Dynamics (CFD) analyses of axisymmetric circular-arc boattail nozzles have been completed in support of NASA's Next Generation Launch Technology Program to investigate the effects of high-speed nozzle geometries on the nozzle internal flow and the surrounding boattail regions. These computations span the very difficult transonic flight regime, with shock-induced separations and strong adverse pressure gradients. External afterbody and internal nozzle pressure distributions computed with the Wind code are compared with experimental data. A range of turbulence models were examined in Wind, including an Explicit Algebraic Stress model (EASM). Computations on two nozzle geometries have been completed at freestream Mach numbers ranging from 0.6 to 0.9, driven by nozzle pressure ratios (NPR) ranging from 2.9 to 5. Results obtained on converging-only geometry indicate reasonable agreement to experimental data, with the EASM and Shear Stress Transport (SST) turbulence models providing the best agreement. Calculations completed on a converging-diverging geometry involving large-scale internal flow separation did not converge to a true steady-state solution when run with variable timestepping (steady-state). Calculations obtained using constant timestepping (time-accurate) indicate less variations in flow properties compared with steady-state solutions. This failure to converge to a steady-state solution was found to be the result of difficulties in using variable time-stepping with large-scale separations present in the flow. Nevertheless, time-averaged boattail surface pressure coefficient and internal nozzle pressures show fairly good agreement with experimental data. The SST turbulence model demonstrates the best over-all agreement with experimental data.

Dalbello, Teryn↗

NASA NTRS2005

Subsonic Scarf Inlets Investigated

A computational investigation is underway at the NASA Glenn Research Center to determine the aerodynamic performance of subsonic scarf inlets. These inlets are characterized as being longer over the lower portion of the inlet, as shown in the preceding figure. One of the key variables being investigated in the research is the circumferential extent of the longer portion of the inlet. It shows two specific geometries that are being examined: one in which the length of the inlet transitions from long-to-short over the full 180 deg. from bottom to top, and a second in which the length transitions over 67.5 deg.

Abbott, John M.↗

NASA NTRS2010

Employing ISRU Models to Improve Hardware Design

An analytical model for hydrogen reduction of regolith was used to investigate the effects of several key variables on the energy and mass performance of reactors for a lunar in-situ resource utilization oxygen production plant. Reactor geometry, reaction time, number of reactors, heat recuperation, heat loss, and operating pressure were all studied to guide hardware designers who are developing future prototype reactors. The effects of heat recuperation where the incoming regolith is pre-heated by the hot spent regolith before transfer was also investigated for the first time. In general, longer reaction times per batch provide a lower overall energy, but also result in larger and heavier reactors. Three reactors with long heat-up times results in similar energy requirements as a two-reactor system with all other parameters the same. Three reactors with heat recuperation results in energy reductions of 20 to 40 percent compared to a three-reactor system with no heat recuperation. Increasing operating pressure can provide similar energy reductions as heat recuperation for the same reaction times.

Linne, Diane L.↗

NASA NTRS2019

Numerical Investigation and Optimization of a Flushwall Injector for Scramjet Applications at Hypervelocity Flow Conditions

An investigation utilizing Reynolds-averaged simulations (RAS) was performed in order to demonstrate the use of design and analysis of computer experiments (DACE) methods in Sandia’s DAKOTA software package for surrogate modeling and optimization. These methods were applied to a flow- path fueled with an interdigitated flushwall injector suitable for scramjet applications at hyper- velocity conditions and ascending along a constant dynamic pressure flight trajectory. The flight Mach number, duct height, spanwise width, and injection angle were the design variables selected to maximize two objective functions: the thrust potential and combustion efficiency. Because the RAS of this case are computationally expensive, surrogate models are used for optimization. To build a surrogate model a RAS database is created. The sequence of the design variables comprising the database were generated using a Latin hypercube sampling (LHS) method. A methodology was also developed to automatically build geometries and generate structured grids for each design point. The ensuing RAS analysis generated the simulation database from which the two objective functions were computed using a one-dimensionalization (1D) of the three-dimensional simulation data. The data were fitted using four surrogate models: an artificial neural network (ANN), a cubic polynomial, a quadratic polynomial, and a Kriging model. Variance-based decomposition showed that both objective functions were primarily driven by changes in the duct height. Multiobjective design optimization was performed for all four surrogate models via a genetic algorithm method. Optimal solutions were obtained at the upper and lower bounds of the flight Mach number range. The Kriging model predicted an optimal solution set that exhibited high values for both objective functions. Additionally, three challenge points were selected to assess the designs on the Pareto fronts. Further sampling among the designs of the Pareto fronts may be required to lower the surrogate model errors and perform more accurate surrogate-model-based optimization.

Shenoy, Rajiv R.↗

NASA NTRS2002

The StarLight Space Interferometer: Optical design and performance modeling

The StarLight mission aimed to place the first formation flying optical interferometer into space in year 2006. Utilizing two spacecraft to form a long baseline Michelson interferometer, it would measure white light fringes on a number of partially resolved stars of magnitudes >5 in the wavelength range 600 to 1000nm. The interferometer baseline is variable between 30 and 125 m, and also has a fixed 1 m mode. The spacecraft are flown in a parabolic geometry which requires an optical delay line to build up more than 14m of delay on one arm of the interferometer. To obtain high fringe visibility, starlight wavefront, pointing and intensity must be preserved through 22 reflections from mirrors and beamsplitters. The alignment of a total of 27 optics is maintained through careful thermal design and the use of two actuated mirrors on each arm. This paper describes the optical layout in depth, including the beam combiner design which allows star tracking, optical system alignment and fringe formation on a single CCD. The effects of diffraction of the starlight transferred from a distant spacecraft and from optical surface imperfections are modeled. Other contributors to the visibility budget and the resulting variation of fringe visibility across the focal plane are discussed .

StarLight↗

DOE OSTI2020

Spectral Variability of VHS J1256–1257b from 1 to 5 μm

Multiwavelength time-resolved observations of rotationally modulated variability from brown dwarfs and giant exoplanets are the most effective method for constraining their heterogeneous atmospheric structures. In a companion paper, we reported the discovery of strong near-infrared variability in HST/WFC3/G141 light curves of the very red L-dwarf companion VHS J1256–1257b. In this paper, we present a follow-up 36 hr Spitzer/IRAC Channel 2 light curve together with an in-depth analysis of the Hubble space telescope (HST) and the Spitzer data. The combined data set provides time-resolved light curves of VHS1256b sampling 1.1 to 4.5 μm. The Spitzer light curve is best fit with a single sine wave with a period of 22.04 ± 0.05 hr and a peak-to-peak amplitude of 5.76 ± 0.04%. Combining the period with a previously measured projected rotational velocity (v sin i), we find that VHS1256b is most consistent with equatorial viewing geometry. The HST/G141+Spitzer spectral energy distribution favors a model with a T{sub eff} of 1000 K and low surface gravity with disequilibrium chemistry. The spectral variability of VHS1256b is consistent with predictions from partly cloudy models, suggesting that heterogeneous clouds are the dominant source of the observed modulations. We find evidence at the 3.3σ level for amplitude variations within the 1.67 μm CH{sub 4} band, which is the first such detection for a variable L-dwarf. We compare the HST/G141 time-resolved spectra of three red L-dwarfs with high-amplitude near-infrared rotational modulations and find that although their time-averaged spectra are similar, their spectroscopic variabilities exhibit notable differences. This diversity reinforces the advantage of time-resolved spectroscopic observations for understanding the atmospheres of brown dwarfs and directly imaged exoplanets.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Multivariable quantum signal processing (M-QSP): prophecies of the two-headed oracle

Recent work shows that quantum signal processing (QSP) and its multi-qubit lifted version, quantum singular value transformation (QSVT), unify and improve the presentation of most quantum algorithms. QSP/QSVT characterize the ability, by alternating ansätze, to obliviously transform the singular values of subsystems of unitary matrices by polynomial functions; these algorithms are numerically stable and analytically well-understood. That said, QSP/QSVT require consistent access to a single oracle, saying nothing about computing joint properties of two or more oracles; these can be far cheaper to determine given an ability to pit oracles against one another coherently. This work introduces a corresponding theory of QSP over multiple variables: M-QSP. Surprisingly, despite the non-existence of the fundamental theorem of algebra for multivariable polynomials, there exist necessary and sufficient conditions under which a desired stable multivariable polynomial transformation is possible. Moreover, the classical subroutines used by QSP protocols survive in the multivariable setting for non-obvious reasons, and remain numerically stable and efficient. Up to a well-defined conjecture, we give proof that the family of achievable multivariable transforms is as loosely constrained as could be expected. The unique ability of M-QSP to obliviously approximate joint functions of multiple variables coherently leads to novel speedups incommensurate with those of other quantum algorithms, and provides a bridge from quantum algorithms to algebraic geometry.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1982

A summary of the Dynamics Explorer /DE/-2 spacecraft attitude control operations and dynamics

A summary of attitude control operations and observed attitude dynamics for the Dynamics Explorer (DE)-2 spacecraft is presented. By performing a systematic analysis of spacecraft drift and through optimization of modeling parameters in dynamics simulators, insight is given into spacecraft dynamics, techniques for reducing drift, and methods for streamlining operational procedures. This paper discusses how attitude and momentum drift were reduced for DE-2 by changing spacecraft geometry, altering operational procedures and making timely use of the control modes available. Attempts to correlate spacecraft drift activity with known environmental variables are made with only limited success.

Stengle, T. H.↗

NASA NTRS1984

Optimization and application of riblets for turbulent drag reduction

Riblet surfaces have been tested in boundary layers having different upstream histories and at higher Reynolds numbers than previously reported. The drag reduction for the riblet surfaces was found to be dependent on the height and spacing of the riblets in law-of-the-wall variables regardless of the free-stream Reynolds number or upstream boundary-layer history. Micro-photographs of the actual riblet geometries are examined to determine the effect of rib details on the riblet drag-reduction performances. To further increase drag-reduction performance, riblet surfaces are combined with another drag-reduction concept, the large-eddy breakup device (LEBU). In addition, the yaw sensitivity of riblets is evaluated, as well as the characteristics of riblet surfaces manufactured out of a thin vinyl sheet.

Walsh, M. J.↗

NASA NTRS1991

Commercialization of NESSUS: Status

A plan was initiated in 1988 to commercialize the Numerical Evaluation of Stochastic Structures Under Stress (NESSUS) probabilistic structural analysis software. The goal of the on-going commercialization effort is to begin the transfer of Probabilistic Structural Analysis Method (PSAM) developed technology into industry and to develop additional funding resources in the general area of structural reliability. The commercialization effort is summarized. The SwRI NESSUS Software System is a general purpose probabilistic finite element computer program using state of the art methods for predicting stochastic structural response due to random loads, material properties, part geometry, and boundary conditions. NESSUS can be used to assess structural reliability, to compute probability of failure, to rank the input random variables by importance, and to provide a more cost effective design than traditional methods. The goal is to develop a general probabilistic structural analysis methodology to assist in the certification of critical components in the next generation Space Shuttle Main Engine.

Thacker, Ben H.↗

NASA NTRS1992

Propulsion and aerodynamic analysis of the Beta II two-stage-to-orbit vehicle

A study of a revised version of the Beta II two-stage-to-orbit vehicle has been undertaken. The goal of the study was to modify and refine critical components of the NASA/Boeing/Wright Laboratory Beta II booster design to better define a successful baseline vehicle that can provide routine access to space. The vehicle geometry was modified and corresponding aerodynamics were predicted. The propulsion system was improved by refining the nacelle design which included incorporating a variable capture area inlet, replacing the five High Speed Civil Transport derived turbine bypass turbojet engines with four variable cycle turbofan engines per nacelle, and removing the bypass duct system. The ramjet performance was adjusted for the change in airflow due to the variable capture area inlet. The second stage wing-body orbiter design was not modified for this study. The total Beta II takeoff weight which resulted was approximately 1.0 million pounds.

Davic, James R.↗

NASA NTRS2006

Remote Sensing Reflectance and Inherent Optical Properties in the Mid-mesohaline Chesapeake Bay

We used an extensive set of bio-optical data and radiative transfer (RT) model simulations of radiation fields to investigate relationships between inherent optical properties and remotely sensed quantities in the optically complex, mid-mesohaline Chesapeake Bay waters. Field observations showed that the chlorophyll algorithms used by the MODIS (MODerate resolution Imaging Spectroradiometer) ocean color sensor (i.e. Chlor_a, chlor_MODIS, chlor_a_3 products) do not perform accurately in these Case 2 waters. This is because, when applied to waters with high concentrations of chlorophyll, all MODIS algorithms are based on empirical relationships between chlorophyll concentration and blue-green wavelength remote sensing reflectance (Rrs) ratios that do not account for the typically strong blue-wavelength absorption by non-covarying, dissolved and non-algal particulate components. Stronger correlation was observed between chlorophyll concentration and Rrs ratios in the red (i.e. Rrs(677)/Rrs(554)) where dissolved and non-algal particulate absorption become exponentially smaller. Regionally-specific algorithms that are based on the phytoplankton optical properties in the red wavelength region provide a better basis for satellite monitoring of phytoplankton blooms in these Case 2 waters. Good optical closure was obtained between independently measured Rrs spectra and the optical properties of backscattering, b(sub b), and absorption, a, over the wide range of in-water conditions observed in the Chesapeake Bay. Observed variability in the quantity f/Q (proportionality factor in the relationship between Rrs and the water inherent optical properties ratio b(sub b)/(a+b(sub b)) was consistent with RT model calculations for the specific measurement geometry and water bio-optical characteristics. Data and model results showed that f/Q values in these Case 2 coastal waters are not considerably different from those estimated in previous studies for Case 1 waters. Variation in surface backscattering significantly affected Rrs magnitude across the visible spectrum and was most strongly correlated (R(sup 2)=0.88) with observed variability in Rrs at 670 nm. Surface values of particulate backscattering were strongly correlated with non-algal particulate absorption, a(sub nap), in the blue wavelengths (R(sup 2)=0.83). These results, along with the measured values of backscattering fraction magnitude and non-algal particulate absorption spectral slope, suggest that suspended non-algal particles with high inorganic content are the major water constituents regulating b(sub b) variability in the mid-mesohaline Chesapeake Bay. Remote retrieval of surface b(sub b) and (a(sub nap), from Rrs(670) can be used in regionally-specific satellite algorithms to separate contribution by non-algal particles and dissolved organic matter to total light absorption in the blue, and monitor non-algal suspended particle concentration and distribution in these Case 2 waters.

Tzortziou, Maria↗

NASA NTRS2003

X-ray Variability of the Magnetic Cataclysmic Variable V1432 Aql and the Seyfert Galaxy NGC 6814

V1432 Aquilae (=RX J1940.2-1025) is the X-ray bright, eclipsing magnetic cataclysmic variable approximately 37 (sup) away from the Seyfert galaxy, NGC 6814. Due to a 0.3% difference between the orbital (12116.3 s) and the spin (12150 s) periods: the accretion geometry changes over the approximately 50 day beat period. Here we report the results of an RXTE campaign to observe the eclipse 25 times, as well as of archival observations with ASCA and BeppoSAX. Having confirmed that the eclipse is indeed caused by the secondary, we use the eclipse timings and profiles to map the accretion geometry as a function of the beat phase. We find that the accretion region is compact, and that it moves relative to the center of white dwarf on the beat period. The amplitude of this movement suggest a low-mass white dwarf, in contrast to the high mass previously estimated from its X-ray spectrum. The size of the X-ray emission region appears to be larger than in other eclipsing magnetic CVs. We also report on the RXTE data as well as the long-term behavior of NGC 6814, indicating flux variability by a factor of at least 10 on time scales of years.

Mukai, K.↗

DOE OSTI2026

First-Principles Evaluation of Proton Hopping in Tetrahedral Oxide Motifs

Proton-conducting oxides (PCOs) are important materials used as ionic conductors for energy conversion technologies. Existing research efforts on PCO optimization and discovery generally focus on complex perovskite-based oxides that require doping and alloying to engineer oxygen deficiency and high proton conductivity. However, the variety of chemical compositions and coordination environments in oxides poses challenges for efficient materials design. In this computational study, we construct a database of simplified motifs to elucidate the relationship between fundamental materials chemistry and proton kinetics. Specifically, we focus on the zincblende crystal structure as a proxy for tetrahedral metal–oxide (M–O) coordination environments. We systematically quantified the effects of cation type, oxidation states, and M–O bond lengths on the proton hopping barrier, and found that strong M–O bonds and metal cations with large and variable oxidation states (e.g., Mo 6+ , V 5+ ) lead to smaller proton hopping barriers. By mapping the candidate cations and their preferred bond geometries onto materials databases such as the Inorganic Crystal Structure Database (ICSD) and Materials Project, we identified real materials containing the corresponding metal–oxide units. In general, we observed good agreement between the calculated proton hopping barriers obtained in real crystal structures and those predicted by our motif database. We also discuss the limitations of our model and possible future extensions to improve its predictive capabilities. Overall, our model provides a first step for the rational design and quick screening of energy-efficient PCOs.

organic↗

DOE OSTI2020

NMDQi Thermal-hydraulic Optimization, Analysis, and Scoping Tool (TOAST)

The Thermal-hydraulic Optimization, Analysis, and Scoping Tool (TOAST) is developed to support the thermal-hydraulic aspects for the design of optimal irradiation vehicles for the Nuclear Materials Discovery and Qualification initiative (NMDQi). TOAST is currently a MATLAB-based tool that utilizes a simplified steady-state analytical model where a radial thermal resistance circuit is utilized to account for conduction through up to 2 capsules, a gas gap, a thermal bond, a sample cladding, and a sample, as well as the convection from a water coolant outside the capsules. The geometry is discretized axially along the user-defined height of a basket with a user-defined number of points/nodes, essentially turning TOAST into a semi-2D heat transfer analysis utility for cylindrical irradiation vehicles with practically any configuration, solving for temperatures radially at multiple axial locations. TOAST utilizes a Graphical User Interface (GUI) in-which a user can define the geometrical layout, the materials utilized for each component, the coolant characteristics, and the required solution. The user can define the geometry by inputting the diameters, thicknesses, and heights for each component, whereas the materials are defined via the user-provided constant or variable thermal conductivities. The user can select the coolant's inlet temperature, pressure, and the pressure drop across the height of the problem (which is used to calculate the velocity of the flow). Finally, the user can choose to solve for a sample heat generation rate limit by inputting temperature limits for the sample and capsules or can choose to purely solve for the axial temperature distributions of each component by inputting a pre-selected heat generation rate. Either way, TOAST provides the user with axial temperature distributions of all the components including the coolant, and the heat generation rate limit as well as the maximum outlet coolant temperature. The user can also choose to do one of 6 sensitivity analyses in TOAST. The sensitivity analyses yield plots of the sensitivity of the heat generation rate limit, the maximum coolant temperature, and the pressure limit for the annular components due to perturbations in 1-2 unknown variables based on the selected sensitivity analysis. Benchmarks between computations in TOAST and equivalent 2D axis symmetric ABAQUS models are presented, showing that TOAST results are within less than 3% of ABAQUS results in most cases, and a maximum of 8% difference in some cases. The benchmarks also revealed that this uncertainty is tied to the selection of an appropriate Nusselt number correlation and appropriate thermal conductivities, which the user can do from the GUI. Regardless, TOAST is demonstrated as a computationally efficient, highly accessible, and accurate utility for optimization and scoping s of studies different irradiation vehicles.

42 ENGINEERING↗

NASA NTRS1980

Earth radiation budget measurements from satellites and their interpretation for climate modeling and studies

The annual and seasonal averaged Earth atmosphere radiation budgets derived from the most complete set of satellite observations available are presented. The budgets were derived from a composite of 48 monthly mean radiation budget maps. Annually and seasonally averaged radiation budgets are presented as global averages and zonal averages. The geographic distribution of the various radiation budget quantities is described. The annual cycle of the radiation budget was analyzed and the annual variability of net flux was shown to be largely dominated by the regular semi and annual cycles forced by external Earth-Sun geometry variations. Radiative transfer calculations were compared to the observed budget quantities and surface budgets were additionally computed with particular emphasis on discrepancies that exist between the present computations and previous surface budget estimates.

Vonderhaar, T. H.↗