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NASA NTRS2019

Methods of Performing Large Scale, Multidimensional Parametric Studies for Space Launch System Mission Analysis

Optimizing a large number of trajectories over a wide range of parameters is a difficult and computationally intensive, particularly when the parametric space has a large number of dimensions. Solving parametric studies like these require good initial conditions for each optimization case, which results in a significant amount of manual interaction and human judgment and can be time consuming. The Space Launch System (SLS) uses POST2 (Program to Optimize Simulated Trajectories II) to simulate different ascent trajectories and perform mission analysis. SLS mission analysis currently uses two types of large scale, multidimensional parameter spaces. The qualifying factor between these spaces is the grid density, which determines the set of applicable solution methodologies. One type has a relatively low number of dimensions (2-3), but a large number of grid coordinates (2000- 4000), whereas the second type has a relatively low number of grid coordinates (150-350), but a higher number of dimensions (7-10).

Stein, W. B.↗

NASA NTRS1991

Compressible flows with periodic vortical disturbances around lifting airfoils

A numerical method is developed for solving periodic, three-dimensional, vortical flows around lifting airfoils in subsonic flow. The first-order method that is presented fully accounts for the distortion effects of the nonuniform mean flow on the convected upstream vortical disturbances. The unsteady velocity is split into a vortical component which is a known function of the upstream flow conditions and the Lagrangian coordinates of the mean flow, and an irrotational field whose potential satisfies a nonconstant-coefficient, inhomogeneous, convective wave equation. Using an elliptic coordinate transformation, the unsteady boundary value problem is solved in the frequency domain on grids which are determined as a function of the Mach number and reduced frequency. The numerical scheme is validated through extensive comparisons with known solutions to unsteady vortical flow problems. In general, it is seen that the agreement between the numerical and analytical results is very good for reduced frequencies ranging from 0 to 4, and for Mach numbers ranging from .1 to .8. Numerical results are also presented for a wide variety of flow configurations for the purpose of determining the effects of airfoil thickness, angle of attack, camber, and Mach number on the unsteady lift and moment of airfoils subjected to periodic vortical gusts. It is seen that each of these parameters can have a significant effect on the unsteady airfoil response to the incident disturbances, and that the effect depends strongly upon the reduced frequency and the dimensionality of the gust. For a one-dimensional (transverse) or two-dimensional (transverse and longitudinal) gust, the results indicate that airfoil thickness increases the unsteady lift and moment at the low reduced frequencies but decreases it at the high reduced frequencies. The results show that an increase in airfoil Mach number leads to a significant increase in the unsteady lift and moment for the low reduced frequencies, but a significant decrease for the high reduced frequencies.

Scott, James R.↗

NASA NTRS1991

A finite-difference, frequency-domain numerical scheme for the solution of the linearized unsteady Euler equations

A numerical method is developed for solving periodic, three-dimensional, vortical flows around lifting airfoils in subsonic flow. The first-order method, that is presented, fully accounts for the distortion effects of the nonuniform mean flow on the convected upstream vortical disturbances. The unsteady velocity is split into a vortical component which is a known function of the upstream flow conditions and the Lagrangian coordinates of the mean flow, and an irrotational field whose potential satisfies a nonconstant-coefficient, inhomogeneous, convective wave equation. Using an elliptic coordinate transformation, the unsteady boundary value problem is solved in the frequency domain on grids which are determined as a function of the Mach number and reduced frequency. Extensive comparisons are made with known solutions to unsteady vortical flow problems, and it is seen that the agreement is generally very good for reduced frequencies ranging from 0 up to 4.

Scott, James R.↗

NASA NTRS1992

Underground muons from the direction of Cygnus X-3

The flux of underground muons from the direction of the binary Cygnus X-3 was measured by the Soudan 2 proton decay detector. This time-projection calorimeter is located at a depth of 2200 m (water equivalent) in northern Minnesota at latitude 48 deg N, longitude 92 deg W. An analysis was then performed that compared both the total observed flux and the observed flux per transit with the number of events expected in the absence of a source. This expected number of events was determined by combining the detector acceptance as a function of time with detector acceptance as a function of the local spatial coordinates. These functions were evaluated by use of off-source events. The direction of Cygnus X-3 was defined as a 2 deg half-angle cone, centered on the nominal source coordinates. This definition is consistent with the expected appearance of a point source in the Soudan 2 detector after consideration of track reconstruction errors, multiple scattering in the rock, and possible systematic effects. Details of the analysis and the results are presented.

Marshak, M. L.↗

DOE OSTI2020

Operando structural and chemical evolutions of TiS 2 in Na-ion batteries

Titanium disulfide (TiS 2 ) with high electric conductivity, fast rate capability, and good cycling performance is a promising candidate for electrode material in sodium (Na)-ion batteries. Despite the well-studied electrochemical behaviors of TiS 2 in Li-ion batteries, the detailed reaction mechanism of TiS 2 in Na-ion batteries is not yet fully understood due to a more complex multi-phase conversion process. In this work, reactions of TiS 2 in Na-ion batteries are investigated via a multi-modal synchrotron approach: operando X-ray Absorption Spectroscopy (XAS) – including X-ray Absorption Near-Edge Structure (XANES) and Extended X-ray Absorption Fine Structure (EXAFS) – and ex situ X-ray Powder Diffraction (XPD), coupled with computational modeling. Operando XANES spectra indicate that the redox reactions occur in both Ti and S during the electrochemically driven phase transformation. Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS) analysis of XAS suggests that different numbers of components are involved in the lithiation and sodiation of TiS 2 , with the sodiation including at least one intermediate phase in addition to the starting material and the final sodiation product. Ex situ XPD and Rietveld refinement further determined and quantified the unknown phases, showing that three phases, TiS 2 , Na 0.55 TiS 2 , and NaTiS 2 , participate in the sodiation of TiS 2 . Operando EXAFS results show the changes in the Ti–Ti coordination number and interatomic distance. This explains the coulombic efficiency decay due to the incomplete recovery of the coordination number of Ti after cycling. Overall, this work reveals the reaction mechanism occurring in Na–TiS 2 batteries with a greater quantitative understanding of the structural evolution. By combining the multi-modal synchrotron approach and computational work, this study provides a framework for studying a broader range of electrochemically driven phase-transformation systems towards advanced energy storage and conversion applications.

25 ENERGY STORAGE↗

DOE OSTI2023

Technetium Complexation with Multidentate Carboxylate-Containing Ligands: Trends in Redox and Solubility Phenomena

The chemistry of technetium (t 1/2 ( 99 Tc) = 2.11 × 10 5 years) is of particular importance in the context of nuclear waste disposal and historic contaminated sites. Polycarboxylate ligands may be present in some sites and are potentially capable of strong complexing interactions, thus increasing the solubility and mobility of 99 Tc under environmentally relevant conditions. This work aimed to determine the impact of five organic complexing ligands [L = oxalate, phthalate, citrate, nitrilotriacetate (NTA), and ethylenediaminetetraacetate (EDTA)] under anoxic, alkaline conditions (pH ≈ 9–13) on the solubility of technetium. X-ray absorption spectroscopy confirmed that TcO 2 (am,hyd) remained the solubility-controlling solid phase in undersaturation solubility experiments. Ligands with maximum coordination numbers (CN) ≥ 3 (EDTA, NTA, and citrate) exhibited an increase in solubility from pH 9 to 11, while ligands with CN ≤ 2 (oxalate and phthalate) at all investigated pH and CN ≥ 3 at pH ≈ 13 were outcompeted by hydrolysis reactions. Though most available thermodynamic values were determined under acidic conditions, these models satisfactorily explained high-pH undersaturation solubility of technetium for citrate and NTA, whereas experimental data for Tc(IV)–EDTA were highly overestimated. Finally, this work illustrates the predominance of hydrolysis under hyperalkaline conditions and provides experimental support for existing thermodynamic models of Tc–L except Tc–EDTA, which requires further research regarding aqueous speciation and solubility.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Switching Device-Cognizant Sequential Distribution System Restoration

This paper presents an optimization framework for sequential reconfiguration using an assortment of switching devices and repair process in distribution system restoration. Compared to existing studies, this paper considers types, capabilities and operational limits of different switching devices, making it applicable in practice. We develop a novel multi-phase method to find the optimal sequential operation of various switching devices and repair faulted areas. We consider circuit breakers, reclosers, sectionalizers, load breaker switches, and fuses. The switching operation problem is decomposed into two mixed-integer linear programming (MILP) subproblems. The first subproblem determines the optimal network topology and estimates the number of steps to reach that topology, while the second subproblem generates a sequence of switching operations to coordinate the switches. For repairing the faults, we design an MILP model that dispatches repair crews to clear faults and replace melted fuses. After clearing a fault, we update the topology of the network by generating a new sequence of switching operations, and the process continues until all faults are cleared. To improve the computational efficiency, a network reduction algorithm is developed to group line sections, such that only switchable sections are present in the reduced network. The proposed method is validated on the IEEE 123-bus and 8500-bus systems.

distribution system↗

DOE OSTI2026

Stability Constants of Lanthanide-nitrate Complexes in Aqueous Solutions: A Theoretical Study

Calculating stability constants for lanthanide--nitrate complexes in aqueous solution is challenging due to the complex free-energy landscapes of the participating species. In this work, we compare cluster-continuum solvation and condensed-phase approaches using universal machine learning interatomic potentials (MLIPs) for determining the stability constants of lanthanide--nitrate complexes in aqueous solutions. Within the cluster--continuum solvation framework at the B3LYP level of theory, reactions involving lanthanide coordination numbers of both 8 and 9 are found to be relevant. After an empirical linear free-energy correction, the cluster--continuum results fall on the same order-of-magnitude scale as the experimental stability constants. By contrast, MACE-MP0 MLIP underestimates lanthanide hydration numbers and gives PMF-derived stability constants with large deviations from experiment, whereas MACE-MATPES-R2SCAN improves both hydration structure and the stability-constant scale but still does not quantitatively reproduce the detailed lanthanide trend. Across both approaches, nitrate binding is best viewed as a labile coordination motif rather than a fixed mono- or bidentate structure, with hydration-shell structure influencing which configurations are favored. Overall, the cluster--continuum calculations provide a practical semi-quantitative baseline for the experimental stability-constant scale, while the explicit-solvent MLIP benchmarks show clear progress from MACE-MP0 to MACE-MATPES-r2SCAN but also highlight the need for lanthanide-targeted training, fine-tuning, or improved long-range and polarization treatments to obtain predictive thermodynamics for complex aqueous lanthanide chemistry.

Dinpajooh, Mohammadhasan↗

NASA NTRS1988

ISEE 1 and 2 observation of the oscillating magnetopause

The ISEE 1 and 2 magnetometer data for 10 years between October 1977 and September 1987 were used to identify magnetopause crossings that occurred in this period in the northward, horizontal, and southward IMFs and to determine the dependence of the oscillation amplitude of surface waves with periods greater than about 2 min on latitude, local time, and the direction of the IMF. The IMP 8 and ISEE 3 data were used to determine the IMF in the geocentric solar magnetosphere coordinates during the crossings. More than 1000 magnetopause passes were identified, with half of them with multiple crossings. The number of crossings per pass and the inferred average amplitude of the oscillation under southward conditions were nearly three times higher than under northward conditions. The amplitude increased with increasing angle from the subsolar point, when under southward, but not when under northward, conditions. The results suggest that the Kelvin-Helmholtz instability plays a very minor role in causing the surface waves on the dayside magnetopause.

Song, PU↗

DOE OSTI2022

The Synthesis and Structure of a Scandium Nitrate Hydroxy-Bridged Dimeric Complex Supported by Bipyridyl Ligands

The current discussion on whether scandium, yttrium and lanthanum should represent Group 3 in the Periodic Table or whether lutetium should replace lanthanum in the group has prompted us to further explore the structural chemistry of the Group 3 elements and compare the coordination numbers and coordination geometries adopted. The steric and electronic properties of the coordinated ligands have a major influence on the structures adopted. We report the synthesis and crystal structure determination of an unusual dinuclear scandium complex [(bipy)(NO 3 ) 2 Sc(µ-OH) 2 Sc(NO 3 ) 2 (bipy)] obtained by the reaction of hydrated scandium nitrate with 2,2'-bipyridyl (bipy) in either ethanol or nitromethane. The crystal structure of the complex shows that the scandium centers are eight coordinate, and the structure obtained contrasts with related complexes found in the lanthanide series [Ln(bipy) 2 (NO 3 ) 3 ] and [Ln(phen) 2 (NO 3 ) 3 ] (phen = phenanthroline) and in [M(terpy)(NO 3 ) 3 ] (M = Sc, Er–Lu), where these complexes are all mononuclear.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2021

Part II: FY20 CIF Annual Report - LAPS: Lunar Autonomous Positioning System

This project concerns construction of an orbital and ground resource network that provides Position, Navigation, and Timing (PNT) services for lunar surface operations. While functionally similar to Global Navigation Satellite Systems (GNSS) for Earth, this system will instead build an automated PNT framework utilizing limited infrastructure on board orbiting assets along with a controlled number of highly accurate assets, or anchor nodes. The goal is to use advanced algorithms to autonomously coordinate on demand or as needed asset participation to achieve orbit determination and time synchronization of accuracy sufficient for end-user localization. Other proposed lunar PNT solutions, such as weak signal GPS, will not meet many mission localization requirements without additional user INS augmentation and a dedicated GNSS constellation would require prohibitive infrastructure development. This proposed effort, the Lunar Autonomous Positioning System (LAPS), instead offers a design that could be deployed in the near term and is facilitated by accessible hardware technology.

Kelley Hashemi↗

NASA NTRS1983

A note on the oxygen gradient in NGC 628

The Kitt Peak 2.1-m telescope and Intensified Image Dissector Scanner have been used to gather spectrophotometric data in the 3600-5200 A spectral region for five H II regions in the spiral galaxy NGC 628. The Pagel et al (1979) technique was then applied to determine the relative number abundances of O to H in each of the H II regions. An examination of the abundance values obtained as a function of the radial coordinate yields an O gradient of -0.05 + or - 0.03 dex/kpc.

Talent, D. L.↗

NASA NTRS1978

Numerical solution of the Navier-Stokes equations for super-sonic flows with strong shocks

The numerical solution of the full Navier-Stokes Equations for viscous flows with high Mach numbers and a strong detached bow shock was obtained. Two dimensional flows around a circular cylinder, and a circular cylinder with an aft-body in the form of a fairing, were considered. The solution of the compressible N.S. equations was accomplished by the method of finite differences. An implicit scheme of solution, the S.O.R., was used with the optimum acceleration parameters determined by trial and error. The tensor notation was used in writing the N-S Equations transformed into general curvilinear coordinates. The equations for the generation of the coordinate system were solved, followed by the solution of the N.S. equations, at the end of a set of given number of time steps. "Wiggles", constituted the one major problem that needed to be overcome. These oscillations give rise to quantities such as negative temperatures, which ultimately caused the computational program to break down. Certain dissipative finite-difference schemes damped these oscillations.

Devarayalu, K.↗

NASA NTRS1983

Operational effectiveness of a Multiple Aquila Control System (MACS)

The operational effectiveness of a multiple aquila control system (MACS) was examined under a variety of remotely piloted vehicle (RPV) mission configurations. The set of assumptions and inputs used to form the rules under which a computerized simulation of MACS was run is given. The characteristics that are to govern MACS operations include: the battlefield environment that generates the requests for RPV missions, operating time-lines of the RPV-peculiar equipment, maintenance requirements, and vulnerability to enemy fire. The number of RPV missions and the number of operation days are discussed. Command, control, and communication data rates are estimated by determining how many messages are passed and what information is necessary in them to support ground coordination between MACS sections.

Brown, R. W.↗

NASA NTRS1979

A hybridized method for computing high-Reynolds-number hypersonic flow about blunt bodies

A hybridized method for computing the flow about blunt bodies is presented. In this method the flow field is split into its viscid and inviscid parts. The forebody flow field about a parabolic body is computed. For the viscous solution, the Navier-Stokes equations are solved on orthogonal parabolic coordinates using explicit finite differencing. The inviscid flow is determined by using a Moretti type scheme in which the Euler equations are solved, using explicit finite differences, on a nonorthogonal coordinate system which uses the bow shock as an outer boundary. The two solutions are coupled along a common data line and are marched together in time until a converged solution is obtained. Computed results, when compared with experimental and analytical results, indicate the method works well over a wide range of Reynolds numbers and Mach numbers.

Weilmuenster, K. J.↗

NASA NTRS2006

Software Development Cost Estimation Executive Summary

Identify simple fully validated cost models that provide estimation uncertainty with cost estimate. Based on COCOMO variable set. Use machine learning techniques to determine: a) Minimum number of cost drivers required for NASA domain based cost models; b) Minimum number of data records required and c) Estimation Uncertainty. Build a repository of software cost estimation information. Coordinating tool development and data collection with: a) Tasks funded by PA&E Cost Analysis; b) IV&V Effort Estimation Task and c) NASA SEPG activities.

data mining↗

NASA NTRS2009

Adaptive Morphological Feature-Based Object Classifier for a Color Imaging System

Utilizing a Compact Color Microscope Imaging System (CCMIS), a unique algorithm has been developed that combines human intelligence along with machine vision techniques to produce an autonomous microscope tool for biomedical, industrial, and space applications. This technique is based on an adaptive, morphological, feature-based mapping function comprising 24 mutually inclusive feature metrics that are used to determine the metrics for complex cell/objects derived from color image analysis. Some of the features include: Area (total numbers of non-background pixels inside and including the perimeter), Bounding Box (smallest rectangle that bounds and object), centerX (x-coordinate of intensity-weighted, center-of-mass of an entire object or multi-object blob), centerY (y-coordinate of intensity-weighted, center-of-mass, of an entire object or multi-object blob), Circumference (a measure of circumference that takes into account whether neighboring pixels are diagonal, which is a longer distance than horizontally or vertically joined pixels), . Elongation (measure of particle elongation given as a number between 0 and 1. If equal to 1, the particle bounding box is square. As the elongation decreases from 1, the particle becomes more elongated), . Ext_vector (extremal vector), . Major Axis (the length of a major axis of a smallest ellipse encompassing an object), . Minor Axis (the length of a minor axis of a smallest ellipse encompassing an object), . Partial (indicates if the particle extends beyond the field of view), . Perimeter Points (points that make up a particle perimeter), . Roundness [(4(pi) x area)/perimeter(squared)) the result is a measure of object roundness, or compactness, given as a value between 0 and 1. The greater the ratio, the rounder the object.], . Thin in center (determines if an object becomes thin in the center, (figure-eight-shaped), . Theta (orientation of the major axis), . Smoothness and color metrics for each component (red, green, blue) the minimum, maximum, average, and standard deviation within the particle are tracked. These metrics can be used for autonomous analysis of color images from a microscope, video camera, or digital, still image. It can also automatically identify tumor morphology of stained images and has been used to detect stained cell phenomena (see figure).

McDowell, Mark↗

NASA NTRS1985

Satellite laser ranging and its applications

Satellite laser ranging (SLR) provides an important capability for precise orbit determination and for geophysical parameter estimation to support a number of contemporary geodynamic and oceanographic investigations. The precision of the SLR measurement has improved from the early meter-level systems to the current capabilities of a few centimeters for the best systems. The accuracy of the orbits and geophysical parameter recovery have shown an associated improvement. Polar motion with accuracies of 2 mas, station coordinates better than 10 cm, and interstation baseline rates indicative of tectonic motion are determined routinely with the current set of global SLR data. This discussion reviews the SLR measurement, analysis approach, and some of the recent results derived from the current SLR data set.

Tapley, B. D.↗