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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 541 records · Page 30

The growth, propagation and decay of global scale Rossby waves during FGGE

A portrait of the evolution of global scale Rossby waves for the FGGE year is presented. Emphasis is placed on the temporal evolution of the amplitude and phase of Hough mode projections, rather than on characteristics of the time spectra of these waves. On the basis of previous work, it was felt that it would be adequate to consider the 500 mb level in isolation from the others, and that the Hough functions (which are vector functions of the horizontal wind components and the height field) were good approximations to the "true' eigenfunctions. Thus, the first steps of the analysis consisted of projecting the 500 mb height and wind data (obtained from the ECMWF analyses) onto Hough functions for each synoptic time. The seasonal cycle and time mean were removed separately for each season, and all remaining eastward propagating components removed on a seasonal basis; all remaining westward propagating components were retained.

Lindzen, R. S.↗

Numerical investigations of low-density nozzle flow by solving the Boltzmann equation

A two-dimensional finite-difference code to solve the BGK-Boltzmann equation has been developed. The solution procedure consists of three steps: (1) transforming the BGK-Boltzmann equation into two simultaneous partial differential equations by taking moments of the distribution function with respect to the molecular velocity u(sub z), with weighting factors 1 and u(sub z)(sup 2); (2) solving the transformed equations in the physical space based on the time-marching technique and the four-stage Runge-Kutta time integration, for a given discrete-ordinate. The Roe's second-order upwind difference scheme is used to discretize the convective terms and the collision terms are treated as source terms; and (3) using the newly calculated distribution functions at each point in the physical space to calculate the macroscopic flow parameters by the modified Gaussian quadrature formula. Repeating steps 2 and 3, the time-marching procedure stops when the convergent criteria is reached. A low-density nozzle flow field has been calculated by this newly developed code. The BGK Boltzmann solution and experimental data show excellent agreement. It demonstrated that numerical solutions of the BGK-Boltzmann equation are ready to be experimentally validated.

Deng, Zheng-Tao↗

An introduction to pressurized volumes in space

It is recommended that designers of pressurized space habitations follow a three-step process in the preliminary design process. They must begin by defining the environment in which the habitat is to operate and the functions to be performed within the habitat; they can the proceed with design in view of the five requirements of failure-resilience, reliability, habitability, transportability, and constructibility. The final preliminary design step is a refinement of the basic concept by taking environmental and functional requirements into consideration in all requisite detail. It is only at this last stage that the designer may note whether a basic configuration is altogether unworkable.

Roberts, Michael↗

Three-dimensional potential flows from functions of a 3D complex variable

Potential, or ideal, flow velocities can be found from the gradient of an harmonic function. An ordinary complex valued analytic function can be written as the sum of two real valued functions, both of which are harmonic. Thus, 2D complex valued functions serve as a source of functions that describe two-dimensional potential flows. However, this use of complex variables has been limited to two-dimensions. Recently, a new system of three-dimensional complex variables has been developed at the NASA Ames Research Center. As a step toward application of this theory to the analysis of 3D potential flow, several functions of a three-dimensional complex variable have been investigated. The results for two such functions, the 3D exponential and 3D logarithm, are presented in this paper. Potential flows found from these functions are investigated. Important characteristics of these flows fields are noted.

Kelly, Patrick↗

Exergy-based Sensitivity Analysis of the Generic Hypersonic Vehicle using FUN3D

In this paper, the implementation of an exergy-based objective function and its adjoint gradient into NASA’s FUN3D solver is discussed and verified. In order to verify that the exergy-based functional is properly implemented, it is used to predict the drag of the Generic Hypersonic Vehicle (GHV), which is then compared to more traditional force-based drag predictions. In addition to the functional implementation, FUN3D’s adjoint capability was extended to obtain sensitivities. Results were verified using FUN3D’s native complex step method for di↵erentiation using a generic wing configuration. The complex and adjoint gradients yielded discrete agreement demonstrating correct implementation and that the functional can be used for gradient-based multidisciplinary analysis and optimization. Next, various trade studies are conducted on the GHV to understand the design space of the vehicle. Finally, an inverse design problem is solved to verify the utilized design optimization framework which is ready to be deployed for exergy-based optimizations in future work.

Neal L. Novotny↗

The Walk on Floor Eyes Closed Tandem Step Test as a Quantitative Measure of Ataxia After Space Flight

INTRODUCTION Posture and locomotion are among the functions most affected by space flight. Postflight ataxia can be quantified easily by using the walk on the floor line test with the eyes closed (WOFEC). Data from a modified WOFEC were obtained as part of an ongoing interdisciplinary pre- and postflight study (Functional Task Test, FTT) designed to evaluate both postflight functional performance of astronauts and related physiological changes. METHODS Five astronauts with flight durations of 12 to 16 days participated in this study. Performance measurements were obtained in 2 preflight sessions, on landing day, and 1, 6, and 30 days after landing. The WOFEC test consisted of walking with the feet placed heel to toe in tandem, arms folded across the chest and eyes closed, for 10 steps. A trial was initiated after the eyes were closed and the front foot was aligned with the rear foot. The performance metric was the average percentage of correct steps completed over 3 trials. A step was not counted as correct if the crewmember sidestepped, opened eyes, or paused for more than 3 seconds between steps. Step accuracy was scored independently by 3 examiners. RESULTS Immediately after landing subjects seemed to be unaware of their foot position relative to their body or the floor. The percentage of correct steps was significantly decreased on landing day. Partial recovery was observed the next day, and full recovery to baseline on the sixth day post landing. CONCLUSION These data clearly demonstrate the sensorimotor challenges facing crewmembers after they return from space flight. Although this simple test is intended to complement the FTT battery of tests, it has some stand-alone value as it provides investigators with a means to quantify vestibular ataxia as well as provide instant feedback on postural stability without the use of complex test equipment.

Fisher, E. A.↗

Experimentally-Derived Bidirectional Reflectance Distribution Function Data in Support of the Orbital Debris Program Office

The NASA Orbital Debris Program Office (ODPO) has used various optical assets to acquire photometric data of Earth-orbiting objects to define the orbital debris environment. To better characterize and model optical data acquired from ground-based telescopes, the Optical Measurements Center (OMC) at NASA Johnson Space Center emulates illumination conditions seen in space by using equipment and techniques that parallel telescopic observations and source-target-sensor orientations. One of the OMC goals is to improve the size calculation used for optical data by developing an optical-based Size Estimation Model. The current size estimation requires applying a Lambertian phase function, a set albedo value, and range to the observed magnitude. The first step to improving the sampled brightness of laboratory targets is to remove aspect-angle dependencies. Then, the volume of possible object viewing angles is sampled at 21 combinations of azimuth and zenith angles for each solar phase angle. Finally, the acquired images are input into an image processing program that generates approximations for the object’s Bidirectional Reflectance Distribution Function (BRDF) and phase function. The BRDF is a radiometric concept that identifies an object’s material composition by matching a BRDF approximated with photometric data collected by ground-based telescopes with a BRDF generated experimentally from a known object in the laboratory. This paper discusses the validation of experimental BRDF and phase function approximations produced in the OMC and how the findings will be incorporated into ODPO models. A Lambertian sphere is imaged and the subsequent experimental functions are scrutinized to confirm that they correspond to an object that has an isotropic luminance. With the image processing algorithm validated, test objects with varying optical properties are then imaged to confirm that the produced photometric functions are both unique and repeatable. Once the validation is complete, the OMC will be used to evaluate a subset of fragments from a hypervelocity impact test of a mock-up satellite and assess the appropriate phase function and size estimates using BRDF measurements for a large volume of targets composed of various shapes, sizes, and materials.

Orbital Debris Program Office (ODPO)↗

Experimentally-Derived Phase Function Approximations in Support of the Orbital Debris Program Office

The NASA Orbital Debris Program Office (ODPO) has used various optical assets to acquire photometric data of Earth-orbiting objects to define the orbital debris environment. To better characterize and model optical data acquired from ground-based telescopes, the Optical Measurements Center (OMC) at NASA Johnson Space Center emulates illumination conditions seen in space by using equipment and techniques that parallel telescopic observations and source-target-sensor orientations. One of the OMC goals is to improve the size calculation used for optical data by developing an optical-based Size Estimation Model. The current size estimation requires applying a Lambertian phase function, a set albedo value, and range to the observed magnitude. The first step to improving the sampled brightness of laboratory targets is to remove aspect-angle dependencies. Then, the volume of possible object viewing angles is sampled at 21 combinations of azimuth and elevation angles for each solar phase angle. Finally, the acquired images are input into an image processing program that generates approximations for the object’s Bidirectional Reflectance Distribution Function (BRDF) and phase function. The BRDF is a radiometric concept that identifies an object’s material composition by matching a BRDF approximated with photometric data collected by ground-based telescopes with a BRDF generated experimentally from a known object in the laboratory. This paper presents the initial BRDF and phase function approximations for various fragments/targets acquired in the OMC and how the findings will be incorporated into ODPO models. A Lambertian sphere is used as a baseline for initial size estimation calculations and phase function comparisons. Spacecraft materials and fragments from hypervelocity laboratory impact tests are also presented to compare against the current assumed Lambertian phase function used for size estimates. This paper presents the preliminary phase function analysis and plan forward to utilize a laboratory-based phase function to improve the current optical size estimates using BRDF measurements for a large volume of targets composed of various shapes, sizes, and materials.

Hostetler, J.↗

Optimization of self-acting step thrust bearings for load capacity and stiffness.

Linearized analysis of a finite-width rectangular step thrust bearing. Dimensionless load capacity and stiffness are expressed in terms of a Fourier cosine series. The dimensionless load capacity and stiffness were found to be a function of the dimensionless bearing number, the pad length-to-width ratio, the film thickness ratio, the step location parameter, and the feed groove parameter. The equations obtained in the analysis were verified. The assumptions imposed were substantiated by comparing the results with an existing exact solution for the infinite width bearing. A digital computer program was developed which determines optimal bearing configuration for maximum load capacity or stiffness. Simple design curves are presented. Results are shown for both compressible and incompressible lubrication. Through a parameter transformation the results are directly usable in designing optimal step sector thrust bearings.

Hamrock, B. J.↗

A 3D High-Order Unstructured Finite-Volume Algorithm for Solving Maxwell's Equations

A three-dimensional finite-volume algorithm based on arbitrary basis functions for time-dependent problems on general unstructured grids is developed. The method is applied to the time-domain Maxwell equations. Discrete unknowns are volume integrals or cell averages of the electric and magnetic field variables. Spatial terms are converted to surface integrals using the Gauss curl theorem. Polynomial basis functions are introduced in constructing local representations of the fields and evaluating the volume and surface integrals. Electric and magnetic fields are approximated by linear combinations of these basis functions. Unlike other unstructured formulations used in Computational Fluid Dynamics, the new formulation actually does not reconstruct the field variables at each time step. Instead, the spatial terms are calculated in terms of unknowns by precomputing weights at the beginning of the computation as functions of cell geometry and basis functions to retain efficiency. Since no assumption is made for cell geometry, this new formulation is suitable for arbitrarily defined grids, either smooth or unsmooth. However, to facilitate the volume and surface integrations, arbitrary polyhedral cells with polygonal faces are used in constructing grids. Both centered and upwind schemes are formulated. It is shown that conventional schemes (second order in Cartesian grids) are equivalent to the new schemes using first degree polynomials as the basis functions and the midpoint quadrature for the integrations. In the new formulation, higher orders of accuracy are achieved by using higher degree polynomial basis functions. Furthermore, all the surface and volume integrations are carried out exactly. Several model electromagnetic scattering problems are calculated and compared with analytical solutions. Examples are given for cases based on 0th to 3rd degree polynomial basis functions. In all calculations, a centered scheme is applied in the interior, while an upwind matching scheme is employed at material interfaces and the Engquist-Majda non-reflecting boundary condition is implemented at the numerical outer boundaries. The staggered leapfrog scheme and the Runge-Kutta methods are utilized for the time integration. Excellent agreements are found between the numerical and analytical solutions.

Liu, Yen↗

Adsorption of CO on gold: effect of coverage and surface deformations

Recent insights into the nature of catalysts under reactive conditions have motivated investigating heterogeneously catalyzed reactions with non-rigid surfaces. As an example system to revisit, CO interactions with gold have been a longstanding system of interest due to its structure sensitivity. In this work, we investigate coverage-dependent CO adsorption trends on terraces, steps, and kinks. Calculating differential binding energy and mean absolute displacement of the atomic structures as a function of CO coverage, we propose a deformation quenching mechanism that partially determines CO saturation coverage. Extending this analysis to consider CO partial pressure, we show a phase change in CO step occupation, which we highlight as a possible explanation for previously reported temperature-programmed desorption and Fourier-transform infrared reflection-absorption spectroscopy measurements. Furthermore, this work shows how adopting a non-rigid surface model can lead to additional insights which may be applied to other heterogeneously catalyzed systems.

Kavalsky, Lance [University of Wisconsin-Madison, ↗

The Factors Governing Metal Dependence of an Emergent Superfamily of Bimetallic Oxygenases

Metalloenzyme superfamilies are typically defined by their protein scaffolds and active sites. Owing to the high tunability of protein structures, members of a single superfamily can catalyze diverse reactions with the same metallocofactor. Some superfamilies, such as amidohydrolase-related dinuclear oxygenases (AROs), display further versatility by utilizing multiple metallocofactors. We have shown that certain AROs catalyze monooxygenation reactions with diiron, dimanganese, and/or mixed manganese−iron cofactors, but the molecular factors governing the selection of a particular cofactor remain unknown, and the extent of this superfamily in biology is unclear. Here, we report bioinformatic analyses that expand the ARO superfamily to approximately 17,000 unique UniProt sequences, far exceeding the number of previously characterized enzymes. Through the integration of structural, spectroscopic, and thermodynamic analyses of representative proteins with a bioinformatic pipeline that identifies key secondary- and tertiary-sphere residues, we can predict in silico the metal preference for the majority of reported ARO sequences. These annotations were validated via the characterization of multiple new AROs, including ones implicated in key oxidative steps of natural product biosyntheses. This study establishes the key structure−function relationships governing metal preferences in AROs and highlights their vastly underappreciated role in myriad biological processes.

Liu, Chang [University of California, Berkeley, CA↗

How Does Water Dissociation Work in Bipolar Membranes?

Bipolar membranes (BPMs) create counteracting spatial gradients of pH and electrostatic potential in electrochemical systems, enabling applications in pH regulation, electrocatalysis, and separations. At the polarized junction of a BPM the water dissociation (WD, 2H2O ⇌ H3O+ + OH-) reaction can be driven, but it remains poorly understood. In this Perspective, we integrate molecular insights from bulk-water autoionization and the associated field effects with continuum descriptions of BPM electrostatics and experimental WD kinetic analyses to describe possible mechanisms of voltage-driven WD. Pristine BPM junctions highlight both the limits of primarily electric-field-driven WD and the practical challenges of junction stability at extreme reverse bias. Introducing heterogeneous catalyst layers, commonly metal oxides and graphene oxides, accelerates WD by orders of magnitude through hypothesized coupled effects in which surface acid-base functionality and high-density hydroxyl sites mediate proton-transfer steps, and catalyst mobile electronic/ionic charges redistribute the junction electric potential drop to shape the local electric fields and reactive microenvironments. Kinetic analyses suggest two regimes of heterogeneous WD mechanism, including field-driven ordering of interfacial water and a Second-Wien-Effect dissociation-barrier lowering. We conclude by defining the key unknown variables (local pH, electrostatic potential, catalyst charge state and relationships among mechanisms) and outlining experimental and multiscale modeling strategies needed for predictive WD catalysis and for controlling related ion-transfer reactions.

Wu, Yifan↗

A plant-specific cytochrome b 5 –like protein is essential for phytosterol biosynthesis

Sterols are essential isoprenoid derivatives that contribute to membrane structure and function. In plants, they also serve as precursors to phytohormones and specialized metabolites important for development, defense, and health. Although the sterol biosynthetic pathway is considered well-characterized, we report the discovery of a plant-specific cytochrome b 5 –like protein, CB5LP, as a critical component of phytosterol biosynthesis. Loss of CB5LP in Arabidopsis causes embryonic defects, seedling lethality, and accumulation of 14α-methyl-sterols, with reduced levels of sitosterol and stigmasterol—indicating a defect in sterol 14α-demethylation. TurboID-based proximity labeling and in vitro assays show that CB5LP physically and functionally interacts with CYP51, a cytochrome P450 enzyme catalyzing this demethylation step. Unlike canonical cytochrome b 5 proteins, CB5LP has a reversed topology and is exclusive to plants, acting as an evolutionarily distinct electron donor. This discovery reveals an uncharacterized redox partnership essential for sterol biosynthesis and highlights a promising target for the development of selective herbicide.

59 BASIC BIOLOGICAL SCIENCES↗

Final Report for Electro-oxidative valorization of biomass: design strategies for selective and stable catalysis

This project aimed to develop a fundamental understanding of the factors that dictate activity and selectivity during electrochemical partial oxidation of multi-carbon organic molecules derived from biomass. Value-adding selective conversions of alcohols to aldehydes, and aldehydes to carboxylic acids were considered, with the ultimate goal to establish general principles for controlling selectivity in organic oxidations. Specific aims involved the use of furfural (FF) and 5-hydoxymethyfurfural (HMF) as model systems and seek to develop knowledge for control of mechanisms that permit selective conversions between oxygenate functional groups with prevention or control of C-C cleavage steps. Another major focus of the work was in achieving these transformations in acidic conditions, which contrasts most existing work (done in base), but is crucial toward compatibility with common pretreatments used to generate small molecules from lignocellulose (e.g. acid hydrolysis or pyrolysis). The work involved well-defined catalyst material synthesis, comparative kinetics, and operando spectroscopies (PI Holewinski), supported by quantum chemical simulations (PI Janik), enabling progress toward efficient, acid-stable oxidation catalysis for biomass upgrading.

Holewinski, Adam [University of Colorado Boulder] ↗

Using a small/low cost computer in an information center

Small/low cost computers are available with I/O capacities that make them suitable for SDI and retrospective searching on any of the many commercially available data bases. A small two-tape computer system is assumed, and an analysis of its run-time equations leads to a three-step search procedure. Run times and costs are shown as a function of file size, number of search terms, and input transmission rates. Actual examples verify that it is economically feasible for an information center to consider its own small, dedicated computer system.

Wilde, D. U.↗

Method for determining thermo-physical properties of specimens

The square root of the product of thermophysical properties q, c and k, where p is density, c is specific heat and k is thermal conductivity, is determined directly on a test specimen such as a wind tunnel model. The test specimen and a reference specimen of known specific heat are positioned at a given distance from a heat source. The specimens are provided with a coating, such as a phase change coating, to visually indicate that a given temperature was reached. A shutter interposed between the heat source and the specimens is opened and a motion picture camera is actuated to provide a time record of the heating step. The temperature of the reference specimen is recorded as a function of time. The heat rate to which both the test and reference specimens were subjected is determined from the temperature time response of the reference specimen by the conventional thin-skin calorimeter equation.

Jones, R. A.↗

Structural optimization with flutter speed constraints using maximized step size

A procedure is presented for the minimization of structural mass while satisfying flutter speed constraints. The procedure differs from other optimization methods in that the flutter speed is exactly satisfied at each resizing step, and the step size is determined by a direct minimization of the objective function (mass) for each set of flutter derivatives calculated. In conjunction with this method, a new move vector is suggested which results in a very efficient resizing procedure.

Oconnell, R. F.↗