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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
NASA NTRS1983

A fast Euler solver for steady flows

A numerical technique to solve the Euler equations for steady, two-dimensional flows is presented. The technique extends to two-dimensional problems a formulation which was found to be extremely efficient for one-dimensional flows. Generalized Riemann variables are defined along two families of orthogonal coordinates, and integrated separately, sweeping back and forth alternatively along coordinate lines. The technique is second-order accurate and converges very rapidly. In addition, each step requires a minimal number of operations. Preliminary results for subsonic and transonic shockless flows are presented and discussed.

Moretti, G.↗
NASA NTRS1988

Numerical prediction of flow in slender vortices

The slender vortex approximation was investigated using the Navier-Stokes equations written in cylindrical coordinates. It is shown that, for free vortices without external pressure gradient, the breakdown length is proportional to the Reynolds number. For free vortices with adverse pressure gradients, the breakdown length is inversely proportional to the value of its gradient. For low Reynolds numbers, the predictions of the simplified system agreed well with the ones obtained from solutions of the full Navier-Stokes equations, whereas for high Reynolds numbers, the flow became quite sensitive to pressure fluctuations; it was found that the failure of the slender vortex equations corresponded to the critical condition as identified by Benjamin (1962) for inviscid flows. The predictions obtained from the approximating system were compared with available experimental results. For low swirl, a good agreement was obtained; for high swirl, on the other hand, upstream effects on the pressure gradient produced by the breakdown bubble caused poor agreement.

Reyna, Luis G.↗
NASA NTRS1990

Analysis of coolant flow and heat transfer in the SSME HPOTP Number 4 bearing assembly

The PHOENICS code has been applied to simulate the flow of liquid oxygen through the number 4 ball bearing assembly of the Space Shuttle Main Engine High-Pressure Oxidizer Turbopump. The Body-Fitted Coordinate system capability of PHOENICS was utilized to create a geometrically accurate model. Effects accounted for by the model include the rotation rate of the calculation domain, viscous heating in the liquid oxygen and two-phase effects due to LOX boiling. A separation program was used to account for conduction within a ball bearing element which was coupled with the PHOENICS flow and heat transfer analysis. Solutions have been obtained for the velocity and temperature fields within the LOX coolant and the temperature within the ball element. The predicted ball temperatures indicate that the coolant is boiling in the region near the ball surface.

Owens, S. F.↗
NASA NTRS1992

Stability investigations of airfoil flow by global analysis

As the result of global, non-parallel flow stability analysis the single value of the disturbance growth-rate and respective frequency is obtained. This complex value characterizes the stability of the whole flow configuration and is not referred to any particular flow pattern. The global analysis assures that all the flow elements (wake, boundary and shear layer) are taken into account. The physical phenomena connected with the wake instability are properly reproduced by the global analysis. This enhances the investigations of instability of any 2-D flows, including ones in which the boundary layer instability effects are known to be of dominating importance. Assuming fully 2-D disturbance form, the global linear stability problem is formulated. The system of partial differential equations is solved for the eigenvalues and eigenvectors. The equations, written in the pure stream function formulation, are discretized via FDM using a curvilinear coordinate system. The complex eigenvalues and corresponding eigenvectors are evaluated by an iterative method. The investigations performed for various Reynolds numbers emphasize that the wake instability develops into the Karman vortex street. This phenomenon is shown to be connected with the first mode obtained from the non-parallel flow stability analysis. The higher modes are reflecting different physical phenomena as for example Tollmien-Schlichting waves, originating in the boundary layer and having the tendency to emerge as instabilities for the growing Reynolds number. The investigations are carried out for a circular cylinder, oblong ellipsis and airfoil. It is shown that the onset of the wake instability, the waves in the boundary layer, the shear layer instability are different solutions of the same eigenvalue problem, formulated using the non-parallel theory. The analysis offers large potential possibilities as the generalization of methods used till now for the stability analysis.

Morzynski, Marek↗
NASA NTRS2001

Analysis of GPS Data Collected on the Greenland Ice Sheet

For several years, GPS observations have been made year round at the Swiss Camp, Greenland. The GPS data are recorded for 12 hours every 10-15 days; data are stored in memory and downloaded during the annual field season. Traditional GPS analysis techniques, where the receiver is assumed not to move within a 24 hour period, is not appropriate at the Swiss Camp, where horizontal velocities are on the order of 30 cm/day. Comparison of analysis strategies for these GPS data indicate that a random walk parameterization, with a constraint of 1-2 x 10(exp -7) km/sqrt(sec) minimizes noise due to satellite outages without corrupting the estimated ice velocity. Low elevation angle observations should be included in the analysis in order to increase the number of satellites viewed at each data epoch. Carrier phase ambiguity resolution is important for improving the accuracy of receiver coordinates.

Larson, K.↗
NASA NTRS1996

Use of the Collaborative Optimization Architecture for Launch Vehicle Design

Collaborative optimization is a new design architecture specifically created for large-scale distributed-analysis applications. In this approach, problem is decomposed into a user-defined number of subspace optimization problems that are driven towards interdisciplinary compatibility and the appropriate solution by a system-level coordination process. This decentralized design strategy allows domain-specific issues to be accommodated by disciplinary analysts, while requiring interdisciplinary decisions to be reached by consensus. The present investigation focuses on application of the collaborative optimization architecture to the multidisciplinary design of a single-stage-to-orbit launch vehicle. Vehicle design, trajectory, and cost issues are directly modeled. Posed to suit the collaborative architecture, the design problem is characterized by 5 design variables and 16 constraints. Numerous collaborative solutions are obtained. Comparison of these solutions demonstrates the influence which an priori ascent-abort criterion has on development cost. Similarly, objective-function selection is discussed, demonstrating the difference between minimum weight and minimum cost concepts. The operational advantages of the collaborative optimization

Braun, R. D.↗
NASA NTRS2013

The Regolith Biters: A Divide-And-Conquer Architecture for Sample-Return Missions

The collective interaction of simple systems can be leveraged to attain complex goals. Based on this principle, we envision space system architectures where the core functional components are decoupled, autonomous, and cooperative. We aim to pursue this vision in the context of small-body sample-return missions. After all, no experimental study sheds more light into our understanding of the origin and evolution of the Solar System than the analysis of samples from asteroids and comets. We also believe that their study is important from a strategic perspective: meteorite impacts pose a direct and credible threat to life on Earth, and the development of contingency small-body deflection missions presupposes some knowledge of the target body. The current architectural paradigm for sample-return missions is centered around a design where spacecraft and sampling device are merged into a single, complex system. We argue that this monolithic approach couples the navigation and sample-collection problems, making both more difficult. In contrast, we propose a decoupled system based on the coordinated interaction between a spacecraft and a collective of small, simple devices - the Regolith Biters (RBs). A spacecraft carrying a number of RBs would travel to the vicinity of a small body. From a favorable vantage point, and while remaining within a safe distance in a non-colliding trajectory, it would release the RBs towards the target body. Upon encountering the body, they would bite the regolith (thus retaining a sample), and eject back to orbit. The spacecraft, being endowed with appropriate navigation and tracking capabilities, would rendezvous with and collect those RBs within its reach, and bring them back to Earth. Separating the navigation and sampling concerns removes the need for proximity operations with the small body-the stage in current architectures that carries the most challenges and risks. Eliminating the need for proximity operations brings back to the discussion the exploration of exciting prospects, like highly active comets, fast-rotating bodies, and binary systems. Distributing the sampling problem among a collective of agents provides the opportunity to sample multiple regions in a single mission. It also provides robustness to various environmental conditions, and may enable the distributed, in situ characterization of the body. In the search for reliability, current architectures rely on complexity: an elaborate system should succeed at once. We rely on numbers: a given agent may fail at any stage, but success is attained by the collective.

Asteroids↗
DOE OSTI2020

Crystallography of Reactive Intermediates

Metal–ligand (M–L) multiply bonded complexes hold a central place in inorganic chemistry and catalysis: From fundamental and historical perspectives, these species have played a critical role in the articulation of important bonding principles (i.e. the vanadyl ion in the development of molecular orbital theory); from a practical perspective, these species are critical intermediates in a variety of chemical reactions (i.e. N 2 and O 2 reduction, H 2 O oxidation, and C–H functionalization). For many high-valent, early metal complexes, overlap of ligand-based electrons with vacant π-symmetry orbitals leads to strong M–L multiple bonds. The stability of these species enables straightforward characterization with a suite of standard spectroscopic and diffraction-based experiments. Mid- and late-transition metal complexes, with attendant higher d-electron counts, often support more reactive M–L multiply bonded fragments. The reactivity of these species simultaneously renders them attractive intermediates for catalysis but challenging synthetic targets to observe and characterize. A number of important strategies have been advanced to enable experimental characterization of mid- to late-metal–ligand multiply bonded species. Synthetic manipulation of the coordination geometry and ligand donicity, as well as introduction of sterically encumbering ligands, have each emerged as powerful methods to tame the inherent reactivity of kinetically labile M–L multiple bonds. While these efforts have resulted in families of well-characterized complexes and provided critical insights regarding structure and bonding, the synthetic derivatization required to stabilize M–L fragments of interest often obviates the substrate functionalization activity relevant to catalysis. Photochemical synthesis of reactive species provides a conceptually attractive strategy to generate reactive M–L fragments under conditions compatible with time-resolved or cryogenic steady-state characterization, and photogeneration has enabled observation of a number of reactive M–L fragments. The suite of tools available to characterize photogenerated reactive species is often more limited than typical for kinetically stabilized complexes and structural characterization is typically not possible. Recently, photocrystallographic experiments, in which reactive M–L multiply bonded intermediates are generated within single-crystal matrices, have been advanced as a strategy to interrogate the structures of reactive intermediates in C–H functionalization. Lastly, this Comment describes the historical antecedents to these experiments, highlights examples of photocrystallographic characterization of reactive intermediates, and discusses future opportunities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Binding of Sulfates and Water to Monovalent Cations

The binding of the sulfate ligand group to monovalent cations in the presence of water is important for many systems. To understand the structure and energetics of sulfate complexes, we use density functional theory to study ethyl sulfate binding to the monovalent cations Li + , Na + , and K + , and to water. The free energies of binding and optimal structures are calculated for a range of the number of ethyl sulfates and waters. Without water, the most optimal structure for all the cations is bidentate binding by two ethyl sulfates, yielding a 4-fold coordination. With water, the lowest free energy structures also have two ethyl sulfates, but the coordination varies with cations. For complexes with water, the four oxygen atoms in the sulfate group enable multiple binding geometries for the cations and for hydrogen bonding with water. Many of these geometries differ in free energy by only a small amount (1–2 kcal/mol), meaning there will be multiple binding configurations in bulk solution. In comparison to the optimal structures for binding to the carboxylate group, there is more variation for binding to the sulfate group as a function of cation type and the number of waters. Further, the polarization of the atoms is significant and varies among the sulfate oxygen atoms. The water oxygen charge is often larger than that of sulfate oxygen, which plays a role in the preference for monodentate ligand binding to cations in the presence of water.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Hydrosilane σ‐Adduct Intermediates in an Adaptive Zinc‐Catalyzed Cross‐dehydrocoupling of Si−H and O−H Bonds

Abstract Three‐coordinate Ph BOX ZnR ( Ph BOX =phenyl‐(4,4‐dimethyl‐oxazolinato; R=Me: 2 a , Et: 2 b ) catalyzes the dehydrocoupling of primary or secondary silanes and alcohols to give silyl ethers and hydrogen, with high turnover numbers (TON; up to 10 7 ) under solvent‐free conditions. Primary and secondary silanes react with small, medium, and large alcohols to give various degrees of substitution, from mono‐ to tri‐alkoxylation, whereas tri‐substituted silanes do not react with MeOH under these conditions. The effect of coordinative unsaturation on the behavior of the Zn catalyst is revealed through a dramatic variation of both rate law and experimental rate constants, which depend on the concentrations of both the alcohol and hydrosilane reactants. That is, the catalyst adapts its mechanism to access the most facile and efficient conversion. In particular, either alcohol or hydrosilane binds to the open coordination site on the Ph BOX ZnOR catalyst to form a Ph BOX ZnOR(HOR) complex under one set of conditions or an unprecedented σ‐adduct Ph BOX ZnOR(H−SiR′ 3 ) under other conditions. Saturation kinetics provide evidence for the latter species, in support of the hypothesis that σ‐bond metathesis reactions involving four‐centered electrocyclic 2σ–2σ transition states are preceded by σ‐adducts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Development of Modified Perturbation Solutions to the One-Phase Stefan Problems With a Convective Boundary

The classical Stefan problem is used to track the moving solid-liquid interface during the freezing process. Perturbation theory has often been applied to find an approximate analytical solution due to the nonlinearity of the moving interface. However, the Stefan number (i.e., the sensible over latent heat) must be small and usually less than 0.01 to assume the perturbation expansion, which in turn limits the thermal engineering applications. In this study, a modified perturbation solution is developed by adding a correction term after the leading-order solution to be valid for a much wider range of Stefan numbers (i.e., 0.01 less than or equal to Ste less than or equal to 1). Specifically, a one-phase Stefan problem is first formulated subjected to a convective boundary in the Cartesian, cylindrical, and spherical coordinate systems for inward solidification. The leading-order solution is calculated based on the regular perturbation theory, while the correction term is obtained using the Monte-Carlo method and a multi-variant regression. Results show that the correction term has a linear relationship with the Stefan number and is not significantly influenced by the Biot number. The proposed modified perturbation solution can accurately and rapidly predict the nonlinear moving interface motion for the freezing process.

DIRECT ENERGY CONVERSION,MATHEMATICS AND COMPUTING↗
DOE OSTI2021

A Multiscale Simulation Study of Influence of Morphology on Ion Transport in Block Copolymeric Ionic Liquids

In this work, we present results of a multiscale simulation study involving coarse-graining and reverse-mapping steps probing at an atomistic resolution the influence of morphology on ion transport in block copolymer polymeric ionic liquids. We provide a detailed description of the multiscale simulation methodology and then describe the results in the context of four microphase-separated morphologies: two lamella systems, a cylinder, and a gyroid morphology. For the framework adopted in this study (in which the total number of ions was maintained fixed), morphology had little influence on the fraction of ions segregating to the interface and the coordination and hopping characteristics of such interfacially present ions. Such results manifested in anion mobilities being insensitive to the morphology once the dimensionality of the morphology was accounted for. Overall, our results are consistent with the hypothesis that the mobility of ions in such microphase-separated morphologies, after accounting for the dimensionality effects, can be roughly correlated to a linear superposition based on the fraction of bulk anions, which possess mobilities unperturbed from their values in the conducting homopolymers, and the interfacial anions, which exhibit much lower mobilities.

36 MATERIALS SCIENCE↗
DOE OSTI2025

HighDimMixedModels.jl: Robust high-dimensional mixed-effects models across omics data

High-dimensional mixed-effects models are an increasingly important form of regression in which the number of covariates rivals or exceeds the number of samples, which are collected in groups or clusters. The penalized likelihood approach to fitting these models relies on a coordinate descent algorithm that lacks guarantees of convergence to a global optimum. Here, we empirically study the behavior of this algorithm on simulated and real examples of three types of data that are common in modern biology: transcriptome, genome-wide association, and microbiome data. Our simulations provide new insights into the algorithm’s behavior in these settings, and, comparing the performance of two popular penalties, we demonstrate that the smoothly clipped absolute deviation (SCAD) penalty consistently outperforms the least absolute shrinkage and selection operator (LASSO) penalty in terms of both variable selection and estimation accuracy across omics data. To empower researchers in biology and other fields to fit models with the SCAD penalty, we implement the algorithm in a Julia package, HighDimMixedModels.jl .

Gorstein, Evan↗
NASA NTRS1975

Sonic spark chambers for cosmic-ray experiments

The sonic spark chamber provides an attractive high resolution hodoscope for low flux cosmic ray experiments. Spark position is determined by measurement of the time of flight of the sonic shock front from the spark position to a number of piezoelectric transducers placed at the periphery of the chamber. For each spark, four quantities must be determined: the spark coordinates, the sound velocity, and the spark 'size'. By over-determining the four parameters, high accuracy is possible. With eight sonic transducers, air-gap spark positions were measured with an error of less than 100 microns everywhere over a 1 sq m region.

Ahlen, S. P.↗
NASA NTRS1983

A viscous shock-layer flowfield analysis by an explicit-implicit method

An implicit analogue of a widely used explicit method to external axisymmetric laminar flows with strong entropy gradients is extended. The details of the "numerics" of the implicit part are provided in a body oriented coordinate system with a moving outer (shock) boundary during the transient part of the solutions. The limiting values of the Courant number are obtained when the shock boundary is treated explicitly. The solution algorithm outlined includes the treatment of the source term associated with the equations in weak conservation form. From the results obtained for two sample problems, it becomes clear that accuracy of predictions is, indeed, very good at higher values of the Courant number. There is a significant saving in overall computing time, depending on the Courant number used and the flow Reynolds number. These properties combined with the simplicity of programming the implicit analog may appeal to researchers for using it in the analysis of 3-D flow problems.

Gupta, R. M.↗
NASA NTRS1983

Viscous shock-layer flowfield analysis by an explicit-implicit method

The present work extends the recently reported implicit analogue of MacCormack's earlier widely-used explicit method to external axisymmetric laminar flows with strong entropy gradients. The details of the 'numerics' of the implicit part are provided in a body-oriented coordinate system with a moving outer (shock) boundary during the transient part of the solutions. The limiting values of the Courant number are obtained when the shock boundary is treated explicitly. The solution algorithm outlined includes the treatment of the source term associated with the equations in weak conservation form. From the results obtained for two sample problems, it becomes clear that accuracy of predictions is, indeed, very good at higher values of the Courant number. There is a significant saving in overall computing time, depending on the Courant number used and the flow Reynolds number. These properties combined with the simplicity of programming the implicit analogue may appeal to researchers for using it in the analysis of three-dimensional flow problems.

Gupta, R. N.↗
NASA NTRS1983

Convair 990 transonic flow-field simulation about the forward fuselage

A three-dimensional, viscous flow code was used to calculate the transonic flow about the forebody of the Convair CV-990 (Galileo II) research aircraft stationed at NASA Ames Research Center. The computations were used to determine the location for a differential pressure system. In addition, attitude sensor placements were verified. These instruments comprise a meteorological measurement system, which will be used for global determination of three-dimensional wind data. The code solves the thin layer form of the Reynolds-averaged Navier-Stokes equations using an implicit numerical procedure. The governing equations are written in a generalized, nonorthogonal coordinate system, and are cast in a strong conservation law form. Laminar boundary layer results are presented for free stream Mach number of 0.8 and angles of attack of zero and 2 deg. Use of this computational tool reduced the development time for the location of the sensors and aided in the optimal placement on the aircraft of these devices.

Chaussee, D. S.↗
NASA NTRS1988

A formulation for the boundary-layer equations in general coordinates

This is a working paper in which a formulation is given for solving the boundary-layer equations in general body-fitted curvilinear coordinates while retaining the original Cartesian dependent variables. The solution procedure does not require that any of the coordinates be orthogonal, and much of the software developed for many Navier-Stokes schemes can be readily used. A limited number of calculations has been undertaken to validate the approach.

Steger, Joseph L.↗