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At least 1,171 records · Page 65

What it Takes to Compute Highly Accurate Rovibrational Line Lists for Use in Astrochemistry

We review the Best Theory + Reliable High-resolution Experiment (BTRHE) strategy for obtaining highly accurate molecular rovibrational line lists with InfraRed (IR) intensities. The need for highly accurate molecular rovibrational line lists is two-fold: a) assignment of the many rovibrational lines for common stable molecules especially those that exhibit a large amplitude motion, such as NH3, or have a high density of states such as SO2; and b) characterization of the atmospheres of exoplanets which will be one of the main areas of research in astronomy in the coming decades. The first motivation arises due to the need to eliminate lines due to common molecules in an astronomical observation in order to identify lines from new molecules, while the second motivation arises due to the need to obtain accurate molecular opacities in order to characterize the atmosphere of an exoplanet. The BTRHE strategy first consists of using high quality ab initio quantum chemical methods to obtain a global potential energy surface (PES) and dipole moment surface (DMS) that contains the proper physics. The global PES is then refined using a subset of the reliable high-resolution experimental data. The refined PES then gives energy level predictions to an accuracy similar to the reproduction accuracy of the experimental data used in the refinement step in the interpolation region (i.e., within the range of the experimental data used in the refinement step). The accuracy of the energy levels will slowly degrade as they are extrapolated to spectral regions beyond the high-resolution experimental data used in the refinement step. However, because the degradation is slow, the predicted energy levels can be used to assign new high-resolution experiments, and the data from these can then be used in a subsequent refinement step. In this way, the global PES eventually can yield highly accurate energy levels for all desired spectral regions including to very high energies and high J values. We show that IR intensities computed with the BTRHE rovibrational wavefunctions and the DMS can be very accurate provided one has minimized the fitting error of the DMS and tested the completeness of the DMS. Some examples of our work on NH3, CO2, and SO2 are given to highlight the usefulness of the BTRHE strategy and to provide ideas on how to further improve its predictive power in the future. In particular, it is shown how successive refinement steps, once new high-resolution data is available, can lead to PESs that yield highly accurate transition energies to larger spectral regions. The importance of including non-adiabatic corrections to reduce the J-dependence of errors for H-containing molecules is shown with work on NH3. Another very important aspect of the BTRHE approach is the consistency across isotopologues, which allows for highly accurate line lists for any isotopologue once one is obtained for the main isotopologue (which has more high-resolution data available for refinement).

Xinchuan Huang↗

Integrated Bosch Process System Models for In-Situ Oxygen and Carbon Production

In-Situ Resource Utilization (ISRU) technology is a vital component to NASA’s mission of a sustainable presence on the Moon and Mars. Local resources can be leveraged to reduce resupply frequency and mass. Elements of the Bosch process, combined with the carbothermal reduction process, can produce oxygen on the lunar surface with minimal consumables. The Bosch process can also produce oxygen on the Martian surface by using the CO 2 -rich environment. Between both systems, adsorption pump, solar thermal energy, carbon formation reactor, and water recovery subsystems are modeled and integrated to create a functional model in MATLAB software. The model is used to simulate performance of the system and reduce mass, power, and volume requirements. This integrated system model provides a tool to scale ISRU technologies for oxygen and carbon production. The MATLAB model is created by developing a system of independent subsystem models that are solved for their quasi-steady state values which can be integrated with respect to time to determine the change in current states. A flexible time stepping method is used to ensure a high level of accuracy during periods of rapid change while still making use of a simple explicit integration method. The flexible time step is calculated for each independent subsystem and the minimum value from those is used as the overall time step. A flexible time step is calculated by dividing a resolution value, or the maximum change per time step, by the variables current rate of change. The maximum value from all points in space is used for subsystem models that contain multiple values. The process is done for every variable that is being monitored in each subsystem and the global minimum is used as that iteration’s timestep. Several assumptions used in the MATLAB model for fluid flow dynamics, such as 1-D gas flow through the sorption pump, are supported by modeling in Ansys Fluent software. The Lunar oxygen production system is outlined in Fig. 1. The carbothermal reduction subsystem uses solar energy to heat a mixture of lunar regolith and carbon powder to produce carbon monoxide. To begin, the carbon monoxide feeds to the modified Bosch subsystem along with hydrogen gas. The reactants then enter the carbon formation reactor where water and carbon powder are produced. Solar thermal energy is used to add energy to the reactor, but waste heat from the carbothermal process is another potential heat source. The water is collected and electrolyzed to produce hydrogen which reenters the Bosch subsystem, and the oxygen is stored for downstream use. The carbon powder is collected and feeds back into the carbothermal subsystem. The Martian oxygen production system uses the full Bosch process and is outlined in Fig 2. A CO 2 adsorption pump thermally cycles to scrub and pressurize CO 2 from the environment. Along with an initial supply of hydrogen, the reactants enter the Reverse Water Gas Shift Reactor (RWGSR) which produces carbon monoxide and water. Carbon monoxide and unreacted hydrogen enter the carbon formation reactor to produce water and carbon powder. The water is collected from both reactors and electrolyzed to reintroduce hydrogen and store oxygen for propellant production or life support. Carbon is removed from the carbon formation reactor and stored. The adsorption pump utilizes rapid cycle temperature swings within a stack of zeolite coated surfaces. The subsystem model solves 1-D quasi-steady conservation laws of the quasi-steady form, shown in Eq. 1, for the gas stream and heat exchange liquid to predict performance parameters such as breakthrough capacity and optimum cycle time. The source term S is used to capture interactions between the fluid flows and the sorbent. A quasi-steady-state scheme is used where no time derivatives appear in the governing equations, except for those in the source terms. This results in an autonomous system, where ∂F/∂x = ƒ(F). The fluxes F are provided at the inlet, and an explicit method is used to solve for the spatial distribution of F. The heat and mass flows to the sorbent are then extracted from the source terms. These flows are numerically integrated to produce a 1-D solution for the system’s state as a function of both time and space. The body of the adsorption pump is separated into two semi-independent models: the heat exchanger fluid flow and gas flow through the zeolite coated surfaces. Both models are solved using the above-described method to find a 1-D solution as a function of space and interact only once a timestep is taken. The interaction point is the sorbent through which all heat transfer between the two models must occur. Sorbent mass adsorption is calculated using the Lagergren model, shown in Eq. 2, where the transfer coefficient, λ D , is found by solving a system of nondimensionalized equations derived by using the heat and mass transfer analogy for transport phenomena. Using Grade 544 Type 13X zeolite as the sorbent material, the equilibrium concentration, θ eq , is calculated using the k-site Langmuir isotherm and fit parameters. Additionally, the enthalpy of adsorption used in the model is computed by interpolation of available data [1]. The subsystem model was validated using the Rapid Cycle Temperature Swing Adsorption (RC-TSA) pump. The solar thermal energy subsystem focuses on a solar concentrator concept with a heat exchanger to heat the reactants before entering the carbon formation reactor. The subsystem model assumes a fixed solar flux and reflector efficiency to calculate the reactant temperature given the incoming temperature, pressure, and exchanger geometry. The receiver is a custom manufactured series of copper blocks with serpentine channels to increase its surface area and the residence time of the reactants to heat up to 550 °C. The subsystem model was validated using a heat exchanger developed at NASA Glenn Research Center (GRC). The solar thermal energy subsystem focuses on a solar concentrator concept with a heat exchanger to heat the reactants before entering the carbon formation reactor. The subsystem model assumes a fixed solar flux and reflector efficiency to calculate the reactant temperature given the incoming temperature, pressure, and exchanger geometry. The receiver is a custom manufactured series of copper blocks with serpentine channels to increase its surface area and the residence time of the reactants to heat up to 550 °C. The subsystem model was validated using a heat exchanger developed at NASA Glenn Research Center (GRC).

In situ Resource Utilization↗

BOLT II Forebody Surface Measurement Analysis

Surface impression molds of the nosetip/forebody interface, discrete tripping elements, and other surface imperfections were formed on the BOLT II flight vehicle prior to its launch in March 2022. The silicon-rubber molds cast on the interface between the nickel nosetip and the stainless steel forebody were measured using a 3D optical measurement system and a stylus profilometer and were evaluated for step direction and height. The step around the nosetip/forebody interface was found to vary in both magnitude and direction, but values were generally modest with most samples below 60 μm across the span and only two samples, both cast in the gutter, with step values larger than 100 μm. Impressions of the secondary-side tripping elements were strictly scanned with the optical device and similar methods were used to calculate trip height as step height. The measured centerline trip height was 2623 ±12 μm, while the leading-edge, quadrant 2 and 3, trip heights were 897 ±5 μm and 891 ±18 μm, respectively. Surface imperfections on the nose and forebody were also evaluated. Surface roughness values and spectra were estimated, and profiles were extracted across the imperfections to quantify the magnitude of those features.

Trip height↗

Concave-convex growth spirals.

The simple model for introduction of a screw dislocation into a crystal leaves a step in those surfaces of the crystal that intersect the axis of the screw dislocation such that the Burgers vector has a finite component perpendicular to the surfaces. When two parallel surfaces of a crystal intersect the same screw dislocation, the resultant step, on opposite sides of the crystal, face in opposite directions. Consequently, when two such surfaces grow by accretion of the molecules at the steps, the steps wind themselves into spirals that appear to have opposite senses of rotation when viewed along the axis of the screw dislocation. Furthermore, the growth structure that results is a plano convex cone or pyramid centered on the screw dislocation. When growth occurs simultaneously on both sides of a crystal, a doubly convex structure will develop under the control of a singe screw dislocation.

Crystal growth↗

Investigation of correlation classification techniques

A two-step classification algorithm for processing multispectral scanner data was developed and tested. The first step is a single pass clustering algorithm that assigns each pixel, based on its spectral signature, to a particular cluster. The output of that step is a cluster tape in which a single integer is associated with each pixel. The cluster tape is used as the input to the second step, where ground truth information is used to classify each cluster using an iterative method of potentials. Once the clusters have been assigned to classes the cluster tape is read pixel-by-pixel and an output tape is produced in which each pixel is assigned to its proper class. In addition to the digital classification programs, a method of using correlation clustering to process multispectral scanner data in real time by means of an interactive color video display is also described.

Haskell, R. E.↗

Small High-Speed Self-Acting Shaft Seals for Liquid Rocket Engines

Design analysis, fabrication, and experimental evaluation were performed on three self-acting facetype LOX seal designs and one circumferential-type helium deal design. The LOX seals featured Rayleigh step lift pad and spiral groove geometry for lift augmentation. Machined metal bellows and piston ring secondary seal designs were tested. The helium purge seal featured floating rings with Rayleigh step lift pads. The Rayleigh step pad piston ring and the spiral groove LOX seals were successfully tested for approximately 10 hours in liquid oxygen. The helium seal was successfully tested for 24 hours. The shrouded Rayleigh step hydrodynamic lift pad LOX seal is feasible for advanced, small, high-speed oxygen turbopumps.

Burcham, R. E.↗

Composite methods for hyperbolic equations

A composite approximation procedure combining the properties of the Lax-Wendroff and leapfrog algorithms is proposed for solving hyperbolic equations. For a one-dimensional equation, a three-step approximation consisting of a two-step Richtmeyer method followed by a leapfrog step is considered. This is a two-level scheme, so all difficulties, including storage requirements, associated with the three-level leapfrog are eliminated. For two-dimensional problems a generalization of the preceding method is used consisting of a rotated Richtmeyer method followed by a modified leapfrog step. It is found that the composite schemes are effective in reducing oscillations and nonlinear instabilities that affect the leapfrog method. The dissipation in the composite schemes is much less than in the Richtmeyer algorithm, and hence can be used for long term integrations.

Turkel, E.↗

Theory and applications for optimization of every part of a photovoltaic system

A general method is presented for quantitatively optimizing the design of every part and fabrication step of an entire photovoltaic system, based on the criterion of minimum cost/Watt for the system output power. It is shown that no element or process step can be optimized properly by considering only its own cost and performance. Moreover, a fractional performance loss at any fabrication step within the cell or array produces the same fractional increase in the cost/Watt of the entire array, but not of the full system. One general equation is found to be capable of optimizing all parts of a system, although the cell and array steps are basically different from the power-handling elements. Applications of this analysis are given to show (1) when Si wafers should be cut to increase their packing fraction; and (2) what the optimum dimensions for solar cell metallizations are. The optimum shadow fraction of the fine grid is shown to be independent of metal cost and resistivity as well as cell size. The optimum thicknesses of both the fine grid and the bus bar are substantially greater than the values in general use, and the total array cost has a major effect on these values. By analogy, this analysis is adaptable to other solar energy systems.

Redfield, D.↗

Method for minimizing the cost/Watt of complete photovoltaic systems and applications

The paper describes an optimization method and some applications in which the design criterion for every part of a photovoltaic system is the minimum power cost for the complete system. The various parts of a photovoltaic system are grouped so that all costs fall into four classes: fabrication steps of the active solar cells; steps associated with the collector array and its complete structure; power-handling elements such as switchgear, storage, etc.; and fixed costs that do not vary directly with any of the system parts, such as factory-level overhead. It is assumed that the total collector area is independent of any of the optimization processes. A general equation is found to be capable of optimizing all parts of a system, although the cell and array steps are basically different from the power-handling elements. It is shown that the optimization of any step in the system requires inclusion of the properties of the other parts of the system.

Redfield, D.↗

Multivariable identification using centralized fixed modes

A procedure to determine a state space model of a multivariable system (lambda inputs, m outputs) is presented. The model is suitable for control studies and uses single input, single output (SISO) system data in the identification procedure. The procedure can be defined in three distinct steps. First, the system's lambda x m SISO transfer functions are identified by using any standard or known identification technique for SISO systems. One objective of this step is to identify SISO transfer functions with as few distinct modes as possible between any two functions. Second, the time domain realization of each SISO transfer function is obtained in a straightforward manner and combined into a total multivariable realization. This total realization, in all probability, has more state variables than are required to define system response. In the third step, these excess or redundant states are removed by using minimal realization theory. The remaining states are related to system centralized fixed modes. Eigenvalue-eigenvector techniques were recently reported that yield a computationally feasible solution to the problem posed in step three. The procedure is applied to QCSEE data to demonstrate its feasibility.

Merrill, W. C.↗

Scaled Runge-Kutta algorithms for handling dense output

Low order Runge-Kutta algorithms are developed which determine the solution of a system of ordinary differential equations at any point within a given integration step, as well as at the end of each step. The scaled Runge-Kutta methods are designed to be used with existing Runge-Kutta formulas, using the derivative evaluations of these defining algorithms as the core of the system. For a slight increase in computing time, the solution may be generated within the integration step, improving the efficiency of the Runge-Kutta algorithms, since the step length need no longer be severely reduced to coincide with the desired output point. Scaled Runge-Kutta algorithms are presented for orders 3 through 5, along with accuracy comparisons between the defining algorithms and their scaled versions for a test problem.

Horn, M. K.↗

Smoothing filter for digital to analog conversion

An electronic filter comprised of three active filter sections to smooth the stepped signal from a digital to analog converter is described. The first section has a noninverting low pass filter transfer function, and the second has an inverting transfer function designed to pass a narrow frequency band centered at the step frequency of the stepped output signal with sharp cutoff of either side of that narrow band. The third section adds the noninverted output of the first section to the inverted output of the second section. This third section has a lead-lag transfer function designed to reduce the phase angle between the signal at its output terminal and the stepped signal at the input of the first section.

Wagner, C. A.↗

Autonomous antenna tracking system for mobile symphonie ground stations

The implementation of a satellite tracking and antenna control system is described. Due to the loss of inclination control for the symphonie satellites, it became necessary to equip the parabolic antennas of the mobile Symphonie ground station with tracking facilities. For the relatively low required tracking accuracy of 0.5 dB, a low cost, step track system was selected. The step track system developed for this purpose and tested over a long period of time in 7 ground stations is based on a search step method with subsequent parabola interpolation. As compared with the real search step method, the system has the advantage of a higher pointing angle resolution, and thus a higher tracking accuracy. When the pilot signal has been switched off for a long period of time, as for instance after the eclipse, the antenna is repointed towards the satellite by an automatically initiated spiral search scan. The function and design of the tracking system are detailed, while easy handling and tracking results.

Ernsberger, K.↗

Electric fields preceding cloud-to-ground lightning flashes

A detailed analysis is presented of the electric-field variations preceding the first return strokes of 80 cloud-to-ground lightning flashes in nine different storms observed at the NASA Kennedy Space Center during the summers of 1976 and 1977. It is suggested that the electric-field variations can best be characterized as having two sections: preliminary variations and stepped leader. The stepped-leader change begins during a transition period of a few milliseconds marked by characteristic bipolar pulses; the duration of stepped leaders lies most frequently in the 6-20 millisecond range. It is also suggested that there is only one type of stepped leader, not two types (alpha and beta) often referred to in the literature.

Beasley, W.↗

Discovery of multi-ring basins - Gestalt perception in planetary science

Early selenographers resolved individual structural components of multi-ring basin systems but missed the underlying large-scale multi-ring basin patterns. The recognition of multi-ring basins as a general class of planetary features can be divided into five steps. Gilbert (1893) took a first step in recognizing radial 'sculpture' around the Imbrium basin system. Several writers through the 1940's rediscovered the radial sculpture and extended this concept by describing concentric rings around several circular maria. Some reminiscences are given about the fourth step - discovery of the Orientale basin and other basin systems by rectified lunar photography at the University of Arizona in 1961-62. Multi-ring basins remained a lunar phenomenon until the fifth step - discovery of similar systems of features on other planets, such as Mars (1972), Mercury (1974), and possibly Callisto and Ganymede (1979). This sequence is an example of gestalt recognition whose implications for scientific research are discussed.

Hartmann, W. K.↗

Development and evaluation of polyvinyl-alcohol blend polymer films as battery separators

Several dialdehydes and epoxies were evaluated for their suitability as cross-linkers. Optium concentrations of several cross-linking reagents were determined. A two-step method of cross-linking, which involves treatment of the film in an acid or acid periodate bath, was investigated and dropped in favor of a one-step method in which the acid catalyst, which initiates cross-linking, is added to the PVA - cross-linker solution before casting. The cross-linking was thus achieved during the drying step. This one-step method was much more adaptable to commercial processing. Cross-linked films were characterized as alkaline battery separators. Films were prepared in the lab and tested in cells in order to evaluate the effect of film composition and a number of processing parameters on cell performance. These tests were conducted in order to provide a broader data base from which to select optimum processing parameters. Results of the separator screening tests and the cell tests are discussed.

Manzo, M. A.↗

Design and fabrication of realistic adhesively bonded joints

Eighteen bonded joint test specimens representing three different designs of a composite wing chordwise bonded splice were designed and fabricated using current aircraft industry practices. Three types of joints (full wing laminate penetration, two side stepped; midthickness penetration, one side stepped; and partial penetration, scarfed) were analyzed using state of the art elastic joint analysis modified for plastic behavior of the adhesive. The static tensile fail load at room temperature was predicted to be: (1) 1026 kN/m (5860 1b/in) for the two side stepped joint; (2) 925 kN/m (5287 1b/in) for the one side stepped joint; and (3) 1330 kN/m (7600 1b/in) for the scarfed joint. All joints were designed to fail in the adhesive.

Shyprykevich, P.↗

MAST space research flight experiment

The MAST flight experiments comprise a research program focusing on major LSS issues for which it is deemed necessary to test, measure, and validate techniques and concepts in the space environment. The MAST Shuttle attached test articles are transported to space by the STEP experiment carrier and are compatible with STEP interfaces in all configurations. As the experiments require no particular orbit and the operational timeliness needed for mission performance are not extensive, it is forseen that the STEP/MAST combination could provide an attractive repetitive element within the Shuttle mixed cargo manifesting process. Using the STEP experiment carrier and a retractable reusable test article allows repetitive flight research to the extent that the STEP is able to be manifested on a regular basis. Since this research program examines generic phenomena, maximum emphasis is placed upon information quality and the fidelity with which the phenomena model emulates the LSS issue.

Allen, J. L.↗