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NASA NTRSDate not supplied

An Updated Secondary Lunar Meteoroid Ejecta Model for Engineering Design

Introduction: The surface of the Moon is constantly being bombarded by a flux of meteoroids of various sizes. Impacts due to these meteoroids produce secondary ejecta material at much lower speeds but with a total mass larger than the original impactor. Details about the secondary ejecta are important for planning missions on the lunar surface. In this work, an updated ejecta model is presented called the Meteoroid Model of Secondary Ejecta (MeMoSeE), to re-place the Apollo-era ejecta model, NASA SP-8013 [1], in the SLS-SPEC 159 Design Specification for Natural Environments (DSNE) [2]. The model pro-duces secondary ejecta flux environments for a user-specified location on the lunar surface, and sorts the incoming secondary flux by angular direction and speed. Methods: MeMoSeE is separated into three parts: the inputs, the conversion step, and the integration of fluxes. Inputs to the model include the primary meteoroid fluxes and the primary near-Earth object (NEO) fluxes. Meteoroid fluxes, both asteroidal and cometary, are calculated using the Meteoroid Engineering Model (MEM3) [3] for different locations on the Moon. For each surface location, an ephemeris is generated using the JPL HORIZONS System [4] that feeds into MEM3. The NEO fluxes are approximated by the high-density population of MEM3 (i.e., only the directionality), where the speed distribution of the NEO fluxes is renormalized to match observations [5]. The regolith properties are used as defined in the DSNE [2]. The conversion step utilizes scaling laws given by Housen & Holsapple 2011 [6] to convert the primary impactor flux to the total mass of secondary ejecta. The ejecta distribution, at the point-of-impact (POI), is separated into a zenith angle and azimuthal angle distribution. The zenith angle distribution follows a beta distribution where the peak depends on the impact altitude angle and the impact azimuth [7]. We employ an ejecta azimuth distribution that is based on Rival & Mandeville 1999 [8] which focuses ejecta in the downstream direction for more oblique impacts. Finally, during the integration step, we sum secondary ejecta number fluxes at a particular region-of-interest (ROI) that originated from many POI locations over the entire surface of the Moon. We keep track of both altitude and azimuth angle bins as well as a range of speed bins, following the igloo gridding as done in MEM3 [9]. The ejecta particle size distribution and density is assumed to be the same as the lunar regolith [10, 2]. Results: The primary fluxes are computed for one Metonic cycle (19 years) for various locations over the lunar surface with a fixed orientation. Both the angular and speed distributions of the primary fluxes are dependent on the latitude and longitude. The over-all primary fluxes show a roughly 13% increase from the eastern limb to the western limb. In general, the speed distribution of the secondary fluxes span from a user-defined minimum speed to the escape speed of the Moon (2.38 km/s), roughly following a power-law relation [6]. Different parts of the speed distribution come from different primary impact locations on the Moon. The secondary ejecta is dominated by the slowest speeds, where these particles originate nearby the ROI. For speeds around 71% of the escape speed, the secondary ejecta originates from locations near the antipodal point. On the other hand, for secondary ejecta speeds that exceed roughly 90% the escape speed, the ejecta particles come from all over the lunar surface to the ROI. Comparing the secondary ejecta fluxes from MeMoSeE with NASA SP-8013 [1], there is a reduction by about 2-3 orders of magnitude for secondary ejecta particles greater than 1 µg. These estimates agree with recent findings from Bjorkman & Christiansen 2019 [11]. The secondary ejecta fluxes are also compared with the primary fluxes, where the ejecta fluxes are roughly an order of magnitude greater than the primary fluxes. References: [1] Cour-Palais, B. G., (1969) NASA SP-8013. [2] NASA SLS-SPEC-159 Rev. H (2020). [3] Moorhead, A. V., et al. (2019) JS&R, 1-17. [4] Giorgini, J. D., (2015) IAUGA, 29, 2256293. [5] Moorhead, A. V., (2020) Memo OSMA/MEO/Lunar-001. [6] Housen, K. R., and Holsapple, K. A., (2011) Icarus, 211(1), 856-875. [7] Gault, D. E., and Wedekind, J. A., (1978) L&PSCP, 9, 3843-3875. [8] Rival, M., and Mandeville, J., (1999) Space Debris, 1(1), 45-57. [9] Moorhead, A. V., (2019) MEM3 User Guide. [10] Carrier, W. D., (1973) The Moon, 6(3-4), 250-263. [11] Bjorkman, M. D. & Christiansen, E. L., (2019) ODC

impacts↗

NASA NTRS2000

Protocol Architecture Model Report

NASA's Glenn Research Center (GRC) defines and develops advanced technology for high priority national needs in communications technologies for application to aeronautics and space. GRC tasked Computer Networks and Software Inc. (CNS) to examine protocols and architectures for an In-Space Internet Node. CNS has developed a methodology for network reference models to support NASA's four mission areas: Earth Science, Space Science, Human Exploration and Development of Space (REDS), Aerospace Technology. This report applies the methodology to three space Internet-based communications scenarios for future missions. CNS has conceptualized, designed, and developed space Internet-based communications protocols and architectures for each of the independent scenarios. The scenarios are: Scenario 1: Unicast communications between a Low-Earth-Orbit (LEO) spacecraft inspace Internet node and a ground terminal Internet node via a Tracking and Data Rela Satellite (TDRS) transfer; Scenario 2: Unicast communications between a Low-Earth-Orbit (LEO) International Space Station and a ground terminal Internet node via a TDRS transfer; Scenario 3: Multicast Communications (or "Multicasting"), 1 Spacecraft to N Ground Receivers, N Ground Transmitters to 1 Ground Receiver via a Spacecraft.

Dhas, Chris↗

NASA NTRS2001

A Parallel Multigrid Solver for Viscous Flows on Anisotropic Structured Grids

This paper presents an efficient parallel multigrid solver for speeding up the computation of a 3-D model that treats the flow of a viscous fluid over a flat plate. The main interest of this simulation lies in exhibiting some basic difficulties that prevent optimal multigrid efficiencies from being achieved. As the computing platform, we have used Coral, a Beowulf-class system based on Intel Pentium processors and equipped with GigaNet cLAN and switched Fast Ethernet networks. Our study not only examines the scalability of the solver but also includes a performance evaluation of Coral where the investigated solver has been used to compare several of its design choices, namely, the interconnection network (GigaNet versus switched Fast-Ethernet) and the node configuration (dual nodes versus single nodes). As a reference, the performance results have been compared with those obtained with the NAS-MG benchmark.

Prieto, Manuel↗

DOE OSTI2015

ASTEROID LIGHT CURVES FROM THE PALOMAR TRANSIENT FACTORY SURVEY: ROTATION PERIODS AND PHASE FUNCTIONS FROM SPARSE PHOTOMETRY

We fit 54,296 sparsely sampled asteroid light curves in the Palomar Transient Factory survey to a combined rotation plus phase-function model. Each light curve consists of 20 or more observations acquired in a single opposition. Using 805 asteroids in our sample that have reference periods in the literature, we find that the reliability of our fitted periods is a complicated function of the period, amplitude, apparent magnitude, and other light-curve attributes. Using the 805-asteroid ground-truth sample, we train an automated classifier to estimate (along with manual inspection) the validity of the remaining ∼53,000 fitted periods. By this method we find that 9033 of our light curves (of ∼8300 unique asteroids) have “reliable” periods. Subsequent consideration of asteroids with multiple light-curve fits indicates a 4% contamination in these “reliable” periods. For 3902 light curves with sufficient phase-angle coverage and either a reliable fit period or low amplitude, we examine the distribution of several phase-function parameters, none of which are bimodal though all correlate with the bond albedo and with visible-band colors. Comparing the theoretical maximal spin rate of a fluid body with our amplitude versus spin-rate distribution suggests that, if held together only by self-gravity, most asteroids are in general less dense than ∼2 g cm{sup −3}, while C types have a lower limit of between 1 and 2 g cm{sup −3}. These results are in agreement with previous density estimates. For 5–20 km diameters, S types rotate faster and have lower amplitudes than C types. If both populations share the same angular momentum, this may indicate the two types’ differing ability to deform under rotational stress. Lastly, we compare our absolute magnitudes (and apparent-magnitude residuals) to those of the Minor Planet Center’s nominal (G = 0.15, rotation-neglecting) model; our phase-function plus Fourier-series fitting reduces asteroid photometric rms scatter by a factor of ∼3.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Chemical bonding in americium oxides probed by X-ray spectroscopy

The electronic structure and the chemical state in Am binary oxides and Am-doped UO 2 were studied by means of X-ray absorption spectroscopy at shallow Am core (4d and 5d) edges. In particular, the Am 5f states were probed and the nature of their bonding to the oxygen states was analyzed. The interpretation of the experimental data was supported by the Anderson impurity model (AIM) calculations which took into account the full multiplet structure due to the interaction between 5f electrons as well as the interaction with the core hole. The sensitivity of the branching ratio of the Am 4d 3/2 and 4d 5/2 X-ray absorption lines to the chemical state of Am was shown using Am binary oxides as reference systems. The observed ratio for Am-doped UO 2 suggests that at least at low Am concentrations, americium is in the Am(III) state in the UO 2 lattice. To confirm the validity of the applied AIM approach, the analysis of the Am 4f X-ray photoelectron spectra of AmO 2 and Am 2 O 3 was also performed which revealed a good agreement between experiment and calculations. As a whole, AmO 2 can be classified as the charge-transfer compound with the 5f occupancy (n ƒ ) equal to 5.73 electrons, while Am 2 O 3 is rather a Mott–Hubbard system with n ƒ = 6.05.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

DESI mock challenge: Halo and galaxy catalogues with the bias assignment method

We present a novel approach to the construction of mock galaxy catalogues for large-scale structure analysis based on the distribution of dark matter halos obtained with effective bias models at the field level. We aim to produce mock galaxy catalogues capable of generating accurate covariance matrices for a number of cosmological probes that are expected to be measured in current and forthcoming galaxy redshift surveys (e.g. two- and three-point statistics). The construction of the catalogues shown in this paper is part of a mock-comparison project within the Dark Energy Spectroscopic Instrument (DESI) collaboration. We use the bias assignment method ( BAM ) to model the statistics of halo distribution through a learning algorithm using a few detailed N-body simulations, and approximated gravity solvers based on Lagrangian perturbation theory. We introduce cosmic-web-dependent corrections to modelling redshift-space distortions at the N-body level – both in the halo and galaxy distributions –, as well as a multi-scale approach for accurate assignment of halo properties. Using specific models of halo occupation distributions to populate halos, we generate galaxy mocks with the expected number density and central-satellite fraction of emission-line galaxies, which are a key target of the DESI experiment. BAM generates mock catalogues with per cent accuracy in a number of summary statistics, such as the abundance, the two- and three-point statistics of halo distributions, both in real and redshift space. In particular, the mock galaxy catalogues display ~3%-10% accuracy in the multipoles of the power spectrum up to scales of k ~ 0.4 h -1 Mpc. We show that covariance matrices of two- and three-point statistics obtained with BAM display a similar structure to the reference simulation. BAM offers an efficient way to produce mock halo catalogues with accurate two- and three-point statistics and is able to generate a variety of multi-tracer catalogues with precise covariance matrices of several cosmological probes. We discuss future developments of the algorithm towards mock production in DESI and other galaxy-redshift surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1997

[Low-Frequency Flow Oscillation

The results of the research conducted under this grant are presented in detail in three Master theses, by Heinrich, Balow, and Broeren. Additional analysis of the experimental data can be found in two AIAA Journal articles and two conference papers. Citations for all of the studies' publications can be found in the bibliography which is attached. The objective of Heinrich's study was to document the low-frequency flow oscillation on the LRN-1007 airfoil, which had been previously observed at low Reynolds number, to determine its origin, and explore the phenomenon at higher Reynolds number. Heinrich performed detailed flow visualization on the airfoil using surface fluorescent oil and laser-sheet off-body visualization. A large leading-edge separation bubble and trailing-edge separation was identified on the airfoil just prior to the onset of the unsteady stall flow oscillation. From the laser-sheet data, the unsteady flow appeared as a massive boundary-layer separation followed by flow reattachment. Hot-wire data were taken in the wake to identify the presence of the flow oscillation and the dominant frequency. The oscillation was found in the flow from a Reynolds number of 0.3 to 1.3 x 10 exp 6. The Strouhal number based on airfoil projected height was nominally 0.02 and increased slightly with increasing Reynolds number and significantly with increasing airfoil angle of attack. Balow focused his research on the leading-edge separation bubble which was hypothesized to be the origin of the low-frequency oscillation. Initially, experimental measurements in the bubble at the onset of the low-frequency oscillation were attempted to study the characteristics of the bubble and explain possible relationships to the shear-layer-flapping phenomena. Unfortunately, the bubble proved to be extremely sensitive to the probe interference and it drastically reduced the size of the bubble. These detailed measurements were then abandoned by Balow. However, this led to a series of tests where the leading-edge bubble and trailing-edge separation were altered and the affect on the flow-oscillation studied. Balow found that by tripping the airfoil boundary-layer with "zigzag" tape ahead of bubble separation, the bubble was effectively eliminated mid the oscillation suppressed. Wake survey drag measurements showed a drastic reduction in airfoil drag when the bubble and oscillation were eliminated. Using the "zigzag" tape, the trailing-edge separation was moved downstream approximately 5 percent chord. This was found to reduce the amplitude of the oscillation, particularly in the onset stage at low angle of attack (around 14 degrees). Through detailed analysis of the wake behind the airfoil during the unsteady flow oscillation, Balow provided a better understanding of the wake flowfield. Broeren studied the oscillating flowfield in detail at Reynolds number equal 3 x 10 exp 5 and an angle of attack of 15 degrees using laser Doppler velocimetry (LDV). Two-dimensional LDV data were acquired at 687 grid points above the model upper surface while hot-wire data were taken simultaneously in the wake. Using the hot-wire signal, the LDV data were phase averaged into 24 bins to represent a single ensemble average of one oscillation cycle. The velocity data showed a flowfield oscillation that could be divided into three flow regimes. In the first regime, the flow over the airfoil was completely separated initially, the flowfield reattached from the leading edge and the reattachment point moved downstream with increasing time or phase. Broeren referred to this as the reattachment regime. The bubble development regime followed, where a leading-edge separation bubble formed at the leading edge and grew with increasing time. During the initial part of this regime the trailing-edge separation continued to move downstream. However, during the last 30 degrees of phase the trailing-edge separation moved rapidly forward and appeared to merge with the leading-edge bubble. During the third regime, the separation regime, the flow was segmented from the airfoil leading edge and did not reattach to the airfoil surface. The reverse flow was seen to grow in vertical extent up from the model surface as the phase increased. Next reattachment began again at the leading edge signaling the start of the reattachment regime, and so the cycle continued. From Broeren's work, the details of the unsteady flowfield over the airfoil were seen for the first time. From this research a great deal has been learned about the low-frequency flow oscillation which naturally occurs on the LRN-1007 airfoil near stall. The oscillation was seen to persist at higher Reynolds number, the dependence of the Strouhal number on angle of attack and Reynolds number were discovered, the critical role played by the laminar bubble was shown and the entire upper surface flowfield during a flow oscillation cycle was measured and analyzed. What still eludes understanding is the scaling of the flow oscillation and why certain airfoils, such as the LRN, have a very strong low-frequency mode and other airfoils exhibit no organized low-frequency oscillation at all.

Bragg, Michael B.↗

NASA NTRS2014

Visualizing Flutter Mechanism as Traveling Wave Through Animation of Simulation Results for the Semi-Span Super-Sonic Transport Wind-Tunnel Model

It has long been recognized that frequency and phasing of structural modes in the presence of airflow play a fundamental role in the occurrence of flutter. Animation of simulation results for the long, slender Semi-Span Super-Sonic Transport (S4T) wind-tunnel model demonstrates that, for the case of mass-ballasted nacelles, the flutter mode can be described as a traveling wave propagating downstream. Such a characterization provides certain insights, such as (1) describing the means by which energy is transferred from the airflow to the structure, (2) identifying airspeed as an upper limit for speed of wave propagation, (3) providing an interpretation for a companion mode that coalesces in frequency with the flutter mode but becomes very well damped, (4) providing an explanation for bursts of response to uniform turbulence, and (5) providing an explanation for loss of low frequency (lead) phase margin with increases in dynamic pressure (at constant Mach number) for feedback systems that use sensors located upstream from active control surfaces. Results from simulation animation, simplified modeling, and wind-tunnel testing are presented for comparison. The simulation animation was generated using double time-integration in Simulink of vertical accelerometer signals distributed over wing and fuselage, along with time histories for actuated control surfaces. Crossing points for a zero-elevation reference plane were tracked along a network of lines connecting the accelerometer locations. Accelerometer signals were used in preference to modal displacement state variables in anticipation that the technique could be used to animate motion of the actual wind-tunnel model using data acquired during testing. Double integration of wind-tunnel accelerometer signals introduced severe drift even with removal of both position and rate biases such that the technique does not currently work. Using wind-tunnel data to drive a Kalman filter based upon fitting coefficients to analytical mode shapes might provide a better means to animate the wind tunnel data.

Christhilf, David M.↗

NASA NTRSDate not supplied

Creating A Consistent Historical NASA POWER Solar Radiation Dataset to Support Renewable Energy, Building Energy Efficiency and Agro-Climatology Decisions

Prediction of Worldwide Energy Resources (POWER) project provides irradiance dataset to support renewable energy, building energy efficiency and agricultural needs. These datasets are derived from Global Energy and Water Cycle Experiment Surface Radiation Budget (GEWEX SRB) and Clouds and the Earth’s Radiant Energy System (CERES SYN1Deg). A systematic bias has been reported between these two datasets for the years with overlapping observations. For obtaining a consistent climate data record spanning the entire time record of observations, it is crucial to understand and remove the bias in the irradiance dataset. Inconsistency in solar radiation data can lead to inaccurate conclusions about solar energy potential and obscure real trends in solar radiation patterns that would impact energy availability assessments. In this study, we adapt quantile mapping approach to remove the systematic bias and to improve reliability of shortwave and longwave irradiance data. We present a validation of the bias corrected data against ground truth. For each 1° latitude and 1° longitude grid box across the globe, we match the CDFs of the reference dataset (CERES SYN1Deg) to that of the SRB dataset, thereby, adjusting the irradiance values to match the empirical distribution of two different measurements. The performance of quantile mapping is evaluated by using the metrics such as Mean Absolute Deviation (MAD). The results indicate that the quantile mapping significantly improves the accuracy and reliability of solar irradiance dataset especially for the weather conditions associated with high cloud cover and extreme irradiance values. The initial range of MAD for the studied sites for daily data was 4 to 19 Wm-2. After correction these reduced to 3 to 7 Wm-2. The findings from this study have important implications for solar energy system design, agricultural planning, and climate modeling community. Reducing the inconsistency and biases in solar irradiance dataset can enable better planning and operation of solar energy systems, leading to increased efficiency and cost-effectiveness. Additionally, this work also contributes to the statistical post-processing techniques in the renewable energy domain and highlights the potential of historical and near-real-time NASA POWER dataset as a valuable resource for solar energy research and applications.

POWER↗

DOE OSTI2016

Order-of-magnitude differences in retention of low-energy Ar implanted in Si and SiO{sub 2}

The retention of 1 and 5 keV Ar implanted at 45° in Si and 4.3 nm SiO{sub 2} on Si was studied at fluences between 3 × 10{sup 14} and 1.5 × 10{sup 16} cm{sup −2}. X-ray photoelectron spectroscopy (XPS) served to monitor the accumulation of Ar as well as the removal of SiO{sub 2}. Bombardment induced changes in oxygen chemistry caused the O 1s peak position to move toward lower binding energies by as much as 2.2 eV. Plotted versus depth of erosion, the fluence dependent changes in oxygen content, and peak position were similar at 1 and 5 keV. The Ar content of Si increased with increasing exposure, saturating at fluences of ∼2 × 10{sup 15} cm{sup −2} (1 keV) and ∼6 × 10{sup 15} cm{sup −2} (5 keV). Much less Ar was retained in the SiO{sub 2}/Si sample, notably at 1 keV, in which case the low-fluence Ar signal amounted to only 8% of the Si reference. The results imply that essentially no Ar was trapped in undamaged SiO{sub 2}, i.e., the Ar atoms initially observed by XPS were located underneath the oxide. At the lowest fluence of 5 keV Ar, the retention ratio was much higher (43%) because the oxide was already highly damaged, with an associated loss of oxygen. The interpretation was assisted by TRIM(SRIM) calculations of damage production. Partial maloperation of the ion beam raster unit, identified only at a late stage of this work, enforced a study on the uniformity of bombardment. The desired information could be obtained by determining x,y line scan profiles of O 1s across partially eroded SiO{sub 2}/Si samples. Fluence dependent Ar retention in Si was described using an extended version of the rapid relocation model which takes into account that insoluble implanted rare-gas atoms tend to migrate to the surface readily under ongoing bombardment. The range parameters required for the modeling were determined using TRIM(SRIM); sputtering yields were derived from the literature. The other three parameters determining the Ar signal, i.e., (1) the thickness w of the near-surface Si region devoid of Ar, (2) the relocation efficiency Ψ{sub rlc}, and (3) the effective attenuation length L in XPS analysis were varied within reasonable limits until the calculated retention curves for 1 and 5 keV Ar in Si agreed with experimental data to better than 8%, using the same XPS sensitivity factor throughout. Results: w = 1.4 ± 0.1 nm, Ψ{sub rlc} = 6.6 ± 0.5, and L = 2.7 ± 0.2 nm. Combining experimental and calculated data, it was found that the Ar trapping efficiency of the damaged oxide is intimately correlated with the loss of oxygen. The calculated stationary areal densities of all retained Ar are compared with results obtained by high-resolution medium-energy ion scattering spectrometry. Attractive areas of future research in rare gas retention and nanobubble formation are sketched briefly.

42 ENGINEERING↗

DOE OSTI2023

A compendium of bacterial and archaeal single-cell amplified genomes from oxygen deficient marine waters

Oxygen-deficient marine waters referred to as oxygen minimum zones (OMZs) or anoxic marine zones (AMZs) are common oceanographic features. They host both cosmopolitan and endemic microorganisms adapted to low oxygen conditions. Microbial metabolic interactions within OMZs and AMZs drive coupled biogeochemical cycles resulting in nitrogen loss and climate active trace gas production and consumption. Global warming is causing oxygen-deficient waters to expand and intensify. Therefore, studies focused on microbial communities inhabiting oxygen-deficient regions are necessary to both monitor and model the impacts of climate change on marine ecosystem functions and services. Here we present a compendium of 5,129 single-cell amplified genomes (SAGs) from marine environments encompassing representative OMZ and AMZ geochemical profiles. Of these, 3,570 SAGs have been sequenced to different levels of completion, providing a strain-resolved perspective on the genomic content and potential metabolic interactions within OMZ and AMZ microbiomes. Hierarchical clustering confirmed that samples from similar oxygen concentrations and geographic regions also had analogous taxonomic compositions, providing a coherent framework for comparative community analysis.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2014

Modelling non-adiabatic effects in H{sub 3}{sup +}: Solution of the rovibrational Schrödinger equation with motion-dependent masses and mass surfaces

Introducing different rotational and vibrational masses in the nuclear-motion Hamiltonian is a simple phenomenological way to model rovibrational non-adiabaticity. It is shown on the example of the molecular ion H{sub 3}{sup +}, for which a global adiabatic potential energy surface accurate to better than 0.1 cm{sup −1} exists [M. Pavanello, L. Adamowicz, A. Alijah, N. F. Zobov, I. I. Mizus, O. L. Polyansky, J. Tennyson, T. Szidarovszky, A. G. Császár, M. Berg et al., Phys. Rev. Lett. 108, 023002 (2012)], that the motion-dependent mass concept yields much more accurate rovibrational energy levels but, unusually, the results are dependent upon the choice of the embedding of the molecule-fixed frame. Correct degeneracies and an improved agreement with experimental data are obtained if an Eckart embedding corresponding to a reference structure of D{sub 3h} point-group symmetry is employed. The vibrational mass of the proton in H{sub 3}{sup +} is optimized by minimizing the root-mean-square (rms) deviation between the computed and recent high-accuracy experimental transitions. The best vibrational mass obtained is larger than the nuclear mass of the proton by approximately one third of an electron mass, m{sub opt,p}{sup (v)}=m{sub nuc,p}+0.31224 m{sub e}. This optimized vibrational mass, along with a nuclear rotational mass, reduces the rms deviation of the experimental and computed rovibrational transitions by an order of magnitude. Finally, it is shown that an extension of the algorithm allowing the use of motion-dependent masses can deal with coordinate-dependent mass surfaces in the rovibrational Hamiltonian, as well.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Integrated Predictive Tools for Customizing Microstructure and Material Properties of Additively Manufactured Aerospace Components

Additive Manufacturing (AM) refers to a process by which digital three-dimensional (3-D) design data is converted to build up a component by depositing material layer-by-layer. United Technologies Corporation (UTC) is currently involved in fabrication and certification of several AM aerospace structural components made from aerospace materials. This is accomplished by using optimized process parameters determined through numerous design-of-experiments (DOE)-based studies. Certification of these components is broadly recognized as a significant challenge, with long lead times, very expensive new product development cycles and very high energy consumption. Because of these challenges, United Technologies Research Center (UTRC), together with UTC business units have been developing and validating an advanced physics-based process model. The specific goal is to develop a physics-based framework of an AM process and reliably predict fatigue properties of built-up structures as based on detailed solidification microstructures. Microstructures are predicted using process control parameters including energy source power, scan velocity, deposition pattern, and powder properties. The multi-scale multi-physics model requires solution and coupling of governing physics that will allow prediction of the thermal field and enable solution at the microstructural scale. The state-of-the-art approach to solve these problems requires a huge computational framework and this kind of resource is only available within academia and national laboratories. The project utilized the parallel phase-fields codes at Oak Ridge National Laboratory (ORNL) and Lawrence Livermore National Laboratory (LLNL), along with the high-performance computing (HPC) capabilities existing at the two labs to demonstrate the simulation of multiple dendrite growth in threedimensions (3-D). The LLNL code AMPE was used to implement the UTRC phase field model that was previously developed for a model binary alloy, and the simulation results were compared against the UTRC simulation results, followed by extension of the UTRC model to simulate multiple dendrite growth in 3-D. The ORNL MEUMAPPS code was used to simulate dendritic growth in a model ternary alloy with the same equilibrium solidification range as the Ni-base alloy 718 using realistic model parameters, including thermodynamic integration with a Calphad based model for the ternary alloy. Implementation of the UTRC model in AMPE met with several numerical and parametric issues that were resolved and good comparison between the simulation results obtained by the two codes was demonstrated for two dimensional (2-D) dendrites. 3-D dendrite growth was then demonstrated with the AMPE code using nondimensional parameters obtained in 2-D simulations. Multiple dendrite growth in 2-D and 3-D were demonstrated using ORNL’s MEUMAPPS code using simple thermal boundary conditions. MEUMAPPS was then modified to incorporate the complex, time-dependent thermal boundary conditions obtained by UTRC’s thermal modeling of single track AM experiments to drive the phase field simulations. The results were in good agreement with UTRC’s experimental measurements.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Modeling and simulation functional needs for molten salt reactor licensing

The modeling and simulation functional needs to license and design molten salt reactor concepts were assessed and an evaluation methodology was developed using a licensing-focused approach considering the modeling and simulation components that contribute to a molten salt reactor safety analysis report. These functional needs were prioritized by identifying the relationships between functional needs and using a quantitative weighting method to identify the most critical components to build a licensing case. This novel weighting method provided a list of functional needs prioritized relative to key advanced reactor licensing outcomes. In addition, functional need inputs were ranked to reveal those that feed the most modeling and simulation components. The findings from this prioritization effort were used to inform the modeling and simulation goals of the US Department of Energy Office of Nuclear Energy (DOE-NE) Molten Salt Reactor campaign.Modeling and simulation needs were grouped into three main categories: (1) source term definition, material accountancy, and radiological consequences, (2) safety analysis, and (3) steady-state neutronics and thermal hydraulics. Here, five near-term goals were identified among these focus areas that add value: (1) deploying a systems and safeguards analysis computational tool, (2) defining source terms for molten salt reactor analysis and interfacing with the US Nuclear Regulatory Commission on accident progression analysis, (3) developing point designs for liquid-fueled thermal-spectrum and fast-spectrum molten salt reactors, (4) building safety analysis specifications and reference solutions for Molten Salt Reactor Experiment transients, and (5) interfacing with the thermophysical and thermodynamic salt chemistry databases.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2021

Numerical Analysis of Fuel Effects on Advanced Compression Ignition Using a Cooperative Fuel Research Engine Computational Fluid Dynamics Model

Growing environmental concerns and demand for a better fuel economy are driving forces that motivate the research for more advanced engines. Multi-mode combustion strategies have gained attention for their potential to provide high thermal efficiency and low emissions for light-duty applications. These strategies target optimizing the engine performance by correlating different combustion modes to load operating conditions. The extension from boosted spark ignition (SI) mode at high loads to advanced compression ignition (ACI) mode at low loads can be achieved by increasing the compression ratio and utilizing intake air heating. Further, in order to enable an accurate control of intake charge condition for ACI mode and rapid mode-switches, it is essential to gain fundamental insights into the autoignition process. Within the scope of ACI, homogeneous charge compression ignition (HCCI) mode is of significant interest. It is known for its potential benefits, operation at low fuel consumption, low NOx, and particulate matter (PM) emissions. In the present work, a virtual Cooperative Fuel Research (CFR) engine model is used to analyze fuel effects on ACI combustion. In particular, the effect of fuel octane sensitivity (S) (at constant Research Octane Number (RON)) on autoignition propensity is assessed under beyond-RON (BRON) and beyond-MON (BMON) ACI conditions. The three-dimensional CFR engine computational fluid dynamics (CFD) model employs a finite-rate chemistry approach with a multi-zone binning strategy to capture autoignition. Two binary blends with Research Octane Number (RON) of 90 are chosen for this study: primary reference fuel (PRF) with S = 0 and toluene–heptane (TH) blend with S = 10.8, representing paraffinic and aromatic gasoline surrogates. Reduced mechanisms for these blends are generated from a detailed gasoline surrogate kinetic mechanism. Simulation results with the reduced mechanisms are validated against experimental data from an in-house CFR engine, with respect to in-cylinder pressure, heat release rate, and combustion phasing. Thereafter, the sensitivity of combustion behavior to ACI operating condition (BRON versus BMON), air-fuel ratio (λ = 2 and 3), and engine speed (600 and 900 rpm) is analyzed for both fuels. It is shown that the sensitivity of a fuel’s autoignition characteristics to λ and engine speed significantly differs at BRON and BMON conditions. Moreover, this sensitivity is found to vary among fuels, despite the same RON. It is also observed that the presence of low-temperature heat release (LTHR) under BRON condition leads to more sequential autoignition and longer combustion duration than BMON condition. Finally, the study indicates that the octane index (OI) fails to capture the trend in the variation of autoignition propensity with S under the BMON condition.

33 ADVANCED PROPULSION SYSTEMS↗

NASA NTRS2017

The Use of Sun Elevation Angle for Stereogrammetric Boreal Forest Height in Open Canopies

Stereogrammetry applied to globally available high resolution spaceborne imagery (HRSI; less than 5 m spatial resolution) yields fine-scaled digital surface models (DSMs) of elevation. These DSMs may represent elevations that range from the ground to the vegetation canopy surface, are produced from stereoscopic image pairs (stereo pairs) that have a variety of acquisition characteristics, and have been coupled with lidar data of forest structure and ground surface elevation to examine forest height. This work explores surface elevations from HRSI DSMs derived from two types of acquisitions in open canopy forests. We (1) apply an automated mass-production stereogrammetry workflow to along-track HRSI stereo pairs, (2) identify multiple spatially coincident DSMs whose stereo pairs were acquired under different solar geometry, (3) vertically co-register these DSMs using coincident spaceborne lidar footprints (from ICESat-GLAS) as reference, and(4) examine differences in surface elevations between the reference lidar and the co-registered HRSI DSMs associated with two general types of acquisitions (DSM types) from different sun elevation angles. We find that these DSM types, distinguished by sun elevation angle at the time of stereo pair acquisition, are associated with different surface elevations estimated from automated stereogrammetry in open canopy forests. For DSM values with corresponding reference ground surface elevation from spaceborne lidar footprints in open canopy northern Siberian Larix forests with slopes less than10, our results show that HRSI DSM acquired with sun elevation angles greater than 35deg and less than 25deg (during snow-free conditions) produced characteristic and consistently distinct distributions of elevation differences from reference lidar. The former include DSMs of near-ground surfaces with root mean square errors less than 0.68 m relative to lidar. The latter, particularly those with angles less than 10deg, show distributions with larger differences from lidar that are associated with open canopy forests whose vegetation surface elevations are captured. Terrain aspect did not have a strong effect on the distribution of vegetation surfaces. Using the two DSM types together, the distribution of DSM-differenced heights in forests (6.0 m, sigma = 1.4 m) was consistent with the distribution of plot-level mean tree heights (6.5m, sigma = 1.2 m). We conclude that the variation in sun elevation angle at time of stereo pair acquisition can create illumination conditions conducive for capturing elevations of surfaces either near the ground or associated with vegetation canopy. Knowledge of HRSI acquisition solar geometry and snow cover can be used to understand and combine stereogrammetric surface elevation estimates to co-register rand difference overlapping DSMs, providing a means to map forest height at fine scales, resolving the vertical structure of groups of trees from spaceborne platforms in open canopy forests.

Paul M Montesano↗

DOE OSTI2026

Comparative assessment of new oxygen carrier materials for gas switching reforming of natural gas: Techno-economics assessment, life cycle analysis, and experimental insights

The increasing demand for hydrogen and the CO 2 intensity of natural gas (NG) reforming motivate the development of low-carbon-emission hydrogen production technologies. Gas Switching Reforming (GSR) with integrated CO 2 capture, a technology based on Chemical Looping Reforming (CLR), has been experimentally proven and shows potential for scale-up. In this study, select oxygen carriers (OC) (NiO/Al 2 O 3 , Fe 2 O 3 -CeO 2 /Al 2 O 3 , and magnetite) were tested in methane steam reforming in a fixed bed reactor to determine their relative reactivities under relevant conditions for GSR (800 °C, 7 bar total pressure). Process models were then developed to perform techno-economic analysis (TEA) of GSR for hydrogen production (GSR-H 2 ) and a combined cycle (GSR-CC) in which high-purity H 2 is fired in a gas turbine to produce electricity. Operating at 10 bar and 1100 °C and with the additional recovery steps implemented increased H 2 production by ∼ 30% and improved efficiency relative to prior studies. For GSR-H 2 , the levelized cost of hydrogen (LCOH) is 1.61–1.64 $/kg-H 2 , competitive with a reference SMR case, though operating and maintenance costs are higher due to increased electricity demand. GSR-CC has a significantly higher levelized cost of electricity (LCOE) than its reference NGCC (natural gas combined cycle) plant, suggesting it is less competitive; however, increasing production scale could make it more attractive. Life-cycle results for GSR-H 2 indicate NG consumption drives ∼ 75% of total global warming impacts (∼2.3 kg CO 2 eq/kg H 2 ). An environmental, health, and safety screening suggests iron-based carriers are comparatively safer, whereas NiO may pose greater risks. Overall, GSR-H 2 is a scalable, competitive option for hydrogen production using nickel and non-nickel OC.

03 NATURAL GAS↗

DOE OSTI2022

Calculation of neutron flux spectra of the VVER-1000 mock-up shielding benchmark with Monte Carlo code MCS utilizing mesh-based weight window

The measurements of neutron spectra compiled inside the NEA-1517/82 package from the Shielding Integral Benchmark Archive and Database (SINBAD) are chosen as benchmark cases to validate the variance reduction technique based on weight window in Monte Carlo Code MCS. A full 3D model for fixed source mode calculation with hexagonal lattice source definition is developed to simulate total of 6 points of measurements at the vicinity of the reactor and the reactor pressure vessel region. A code/code comparison against MCNP6 code is first conducted as verification element for the mesh-based weight window capability in MCS. Finally, the validation results are presented against measurements. The verification against MCNP6 code gives good agreement in addition of the insight to the importance of user understanding to determine proper reference point and reference lower weight bound for scaling which is not required in MCS code due to its capability of automatic scaling. The comparison of neutron spectra between MCS and measurements shows good agreement within 3 standard deviations for all of six detector positions.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗