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LSENS, A General Chemical Kinetics and Sensitivity Analysis Code for Homogeneous Gas-Phase Reactions: Code Description and Usage - Part 2

LSENS, the Lewis General Chemical Kinetics and Sensitivity Analysis Code, has been developed for solving complex, homogeneous, gas-phase chemical kinetics problems and contains sensitivity analysis for a variety of problems, including nonisothermal situations. This report is part II of a series of three reference publications that describe LSENS, provide a detailed guide to its usage, and present many example problems. Part II describes the code, how to modify it, and its usage, including preparation of the problem data file required to execute LSENS. Code usage is illustrated by several example problems, which further explain preparation of the problem data file and show how to obtain desired accuracy in the computed results. LSENS is a flexible, convenient, accurate, and efficient solver for chemical reaction problems such as static system; steady, one-dimensional, inviscid flow; reaction behind incident shock wave, including boundary layer correction; and perfectly stirred (highly backmixed) reactor. In addition, the chemical equilibrium state can be computed for the following assigned states: temperature and pressure, enthalpy and pressure, temperature and volume, and internal energy and volume. For static problems the code computes the sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of the dependent variables and/or the three rate coefficient parameters of the chemical reactions. Part I (NASA RP-1328) derives the governing equations and describes the numerical solution procedures for the types of problems that can be solved by LSENS. Part III (NASA RP-1330) explains the kinetics and kinetics-plus-sensitivity-analysis problems supplied with LSENS and presents sample results.

Radhakrishnan, Krishnan↗

Iterative Strain-Gage Balance Calibration Data Analysis for Extended Independent Variable Sets

A new method was developed that makes it possible to use an extended set of independent calibration variables for an iterative analysis of wind tunnel strain gage balance calibration data. The new method permits the application of the iterative analysis method whenever the total number of balance loads and other independent calibration variables is greater than the total number of measured strain gage outputs. Iteration equations used by the iterative analysis method have the limitation that the number of independent and dependent variables must match. The new method circumvents this limitation. It simply adds a missing dependent variable to the original data set by using an additional independent variable also as an additional dependent variable. Then, the desired solution of the regression analysis problem can be obtained that fits each gage output as a function of both the original and additional independent calibration variables. The final regression coefficients can be converted to data reduction matrix coefficients because the missing dependent variables were added to the data set without changing the regression analysis result for each gage output. Therefore, the new method still supports the application of the two load iteration equation choices that the iterative method traditionally uses for the prediction of balance loads during a wind tunnel test. An example is discussed in the paper that illustrates the application of the new method to a realistic simulation of temperature dependent calibration data set of a six component balance.

Ulbrich, Norbert Manfred↗

The Atmospheric Extinction Problem

Atmospheric extinction, which is one of the main causes of errors in photometry is investigated. The incorrect determination of the extinction coefficient, and its variability, leads to an erroneous measurement. An erroneous extinction coefficient can arise from a number of causes including: (1) instrumental instabilities; (2) too few data points; (3) temporal changes in the atmosphere; and (4) differing airmasses due to components with different scale heights. While it is true that differential measuring techniques can achieve a precision approaching 0.1 percent, at higher levels of precision all of the above causes will be significant sources of error. The conditions that must be met in order to properly determine and correct for atmospheric extinction are discussed.

Angione, R. J.↗

Trends in upper stratospheric temperatures as observed by rocketsondes (1965-1983)

Recent interest in possible anthropogenically induced changes in stratospheric ozone has led to a number of modeling studies. These studies indicate that stratospheric temperature changes would be related to stratospheric ozone changes. Therefore, this study was motivated by a concern to find out whether or not any significant trend in upper stratospheric temperatures could be ascertained from available observational data. June monthly mean values for 40 to 45 km layer were calculated for all Western Hemisphere rocketsonde stations for which data was available. Mean temperatures for each June were then used to calculate linear least squares regression coefficients with latitude of the stations as the independent variable. The resulting coefficients were used to calculate area-weighted mean temperatures for 25 deg N to 55 deg N. A two-to-three degree temperature drop in the early 1970s is indicated. It was noted, however, that this temperature decline coincides with a change in the principal observing system from the Arcasconde system to the Datasonde system. In order to study this temperature decrease more closely, similar mean temperatures were calculated for the 25 to 30 km layer using both rocketsondes and support radiosondes.

Johnson, K. W.↗

The Polarimetric Radar Scattering Properties of Oriented Aggregates

The scattering properties of aggregates are studied herein. Early aggregates (<7 monomers) of branched planar crystals and mature aggregates (up to 100 monomers) of columns are randomly generated with varying assumptions about the monomer attachment processes and the orientation behavior during collection. The resulting physical properties of the aggregates correspond well with prior in situ and retrieved sizes and shapes. Assumed azimuthally uniform orientations during collection and monomer pivoting upon attachment resulted in flatter and denser aggregates. The column aggregates had lower density and more spherical shapes than the branched planar crystal aggregates. The scattering properties were calculated using the discrete dipole approximation for a set of orientation angles and transformed to spectral coefficients representing modes of orientation angle variability. The zeroth- and second-order coefficients dominate this variability, with the zeroth-order coefficients representing the scattering properties for randomly oriented particles. The second-order coefficients for backscatter showed differences between horizontal and vertical polarization increasing with density, and these coefficients for specific differential phase increase with both mass and density. Similarly, coefficients for the copolar covariance decreased with density. Rapid changes in the contributions to the radar moments from the second-order coefficients from low to moderate density were observed, likely due to the increasing presence of horizontally aligned monomers in the aggregate structure. Differences in how differential reflectivity and correlation coefficient evolve with the orientation distribution parameters suggest that these measurements, along with specific differential phase and reflectivity, provide complementary information about aggregate sizes, shapes, and orientation distributions.

Cloud microphysics↗

Performance optimization for rotors in hover and axial flight

Performance optimization for rotors in hover and axial flight is a topic of continuing importance to rotorcraft designers. The aim of this Phase 1 effort has been to demonstrate that a linear optimization algorithm could be coupled to an existing influence coefficient hover performance code. This code, dubbed EHPIC (Evaluation of Hover Performance using Influence Coefficients), uses a quasi-linear wake relaxation to solve for the rotor performance. The coupling was accomplished by expanding of the matrix of linearized influence coefficients in EHPIC to accommodate design variables and deriving new coefficients for linearized equations governing perturbations in power and thrust. These coefficients formed the input to a linear optimization analysis, which used the flow tangency conditions on the blade and in the wake to impose equality constraints on the expanded system of equations; user-specified inequality contraints were also employed to bound the changes in the design. It was found that this locally linearized analysis could be invoked to predict a design change that would produce a reduction in the power required by the rotor at constant thrust. Thus, an efficient search for improved versions of the baseline design can be carried out while retaining the accuracy inherent in a free wake/lifting surface performance analysis.

Quackenbush, T. R.↗

Reliability Sensitivity Analysis and Design Optimization of Composite Structures Based on Response Surface Methodology

This report discusses the development and application of two alternative strategies in the form of global and sequential local response surface (RS) techniques for the solution of reliability-based optimization (RBO) problems. The problem of a thin-walled composite circular cylinder under axial buckling instability is used as a demonstrative example. In this case, the global technique uses a single second-order RS model to estimate the axial buckling load over the entire feasible design space (FDS) whereas the local technique uses multiple first-order RS models with each applied to a small subregion of FDS. Alternative methods for the calculation of unknown coefficients in each RS model are explored prior to the solution of the optimization problem. The example RBO problem is formulated as a function of 23 uncorrelated random variables that include material properties, thickness and orientation angle of each ply, cylinder diameter and length, as well as the applied load. The mean values of the 8 ply thicknesses are treated as independent design variables. While the coefficients of variation of all random variables are held fixed, the standard deviations of ply thicknesses can vary during the optimization process as a result of changes in the design variables. The structural reliability analysis is based on the first-order reliability method with reliability index treated as the design constraint. In addition to the probabilistic sensitivity analysis of reliability index, the results of the RBO problem are presented for different combinations of cylinder length and diameter and laminate ply patterns. The two strategies are found to produce similar results in terms of accuracy with the sequential local RS technique having a considerably better computational efficiency.

Rais-Rohani, Masoud↗

Accurate finite difference methods for time-harmonic wave propagation

Finite difference methods for solving problems of time-harmonic acoustics are developed and analyzed. Multidimensional inhomogeneous problems with variable, possibly discontinuous, coefficients are considered, accounting for the effects of employing nonuniform grids. A weighted-average representation is less sensitive to transition in wave resolution (due to variable wave numbers or nonuniform grids) than the standard pointwise representation. Further enhancement in method performance is obtained by basing the stencils on generalizations of Pade approximation, or generalized definitions of the derivative, reducing spurious dispersion, anisotropy and reflection, and by improving the representation of source terms. The resulting schemes have fourth-order accurate local truncation error on uniform grids and third order in the nonuniform case. Guidelines for discretization pertaining to grid orientation and resolution are presented.

Harari, Isaac↗

Forest Potential Productivity Mapping by Linking Remote-Sensing-Derived Metrics to Site Variables

A fine-resolution region-wide map of forest site productivity is an essential need for effective large-scale forestry planning and management. In this study, we incorporated Sentinel-2 satellite data into an increment-based measure of forest productivity (biomass growth index (BGI)) derived from climate, lithology, soils, and topographic metrics to map improved BGI (iBGI) in parts of North American Acadian regions. Initially, several Sentinel-2 variables including nine single spectral bands and 12 spectral vegetation indices (SVIs) were used in combination with forest management variables to predict tree volume/ha and height using Random Forest. The results showed a 10–12 % increase in out of bag (OOB) r2when Sentinel-2 variables were included in the prediction of both volume and height together with BGI. Later, selected Sentinel-2 variables were used for biomass growth prediction in Maine, USA and New Brunswick, Canada using data from 7738 provincial permanent sample plots. The Sentinel-2 red-edge position (S2REP) index was identified as the most important variable over others to have known influence on site productivity. While a slight improvement in the iBGI accuracy occurred compared to the base BGI model (~2%), substantial changes to coefficients of other variables were evident and some site variables became less important when S2REP was included.

site productivity↗

Optimization of rotor performance in hover and axial flight using a free wake analysis

Performance optimization for rotors in hover and axial flight is a topic of continuing importance to rotorcraft designers. The aim of this effort was to demonstrate that a numerical performance optimization algorithm could be coupled to an existing free wake hover code. This code, dubbed EHPIC (Evaluation of Hover Performacne using Influence Coefficients), uses a quasi-linear wake relaxation to solve for the rotor performance. The coupling was accomplished by expanding of the matrix of linearized influence coefficients in EHPIC to accommodate design variables and by deriving new coefficients for linearized equations governing perturbations in power and thrust. These coefficients formed the input to a linear optimization analysis, which used the flow tangency conditions on the blade and in the wake to impose equality constraints on the expanded system of equations; user-specified inequality constraints were also employed to bound the changes in the design. It was found that this locally linearized analysis could be invoked to predict a design change that would produce a reduction in the power required by the rotor at constant thrust. Thus, an efficient search for improved versions of the baseline design can be carried out while retaining the accuracy inherent in a free wake/lifting surface performance analysis. A variety of sample problems were undertaken to demonstrate the success of this approach in reducing the power required at a specified thrust for several representative rotor configurations in hover and axial flight.

Quackenbush, T. R.↗

A Radiation Solver for the National Combustion Code

A methodology is given that converts an existing finite volume radiative transfer method that requires input of local absorption coefficients to one that can treat a mixture of combustion gases and compute the coefficients on the fly from the local mixture properties. The Full-spectrum k-distribution method is used to transform the radiative transfer equation (RTE) to an alternate wave number variable, g . The coefficients in the transformed equation are calculated at discrete temperatures and participating species mole fractions that span the values of the problem for each value of g. These results are stored in a table and interpolation is used to find the coefficients at every cell in the field. Finally, the transformed RTE is solved for each g and Gaussian quadrature is used to find the radiant heat flux throughout the field. The present implementation is in an existing cartesian/cylindrical grid radiative transfer code and the local mixture properties are given by a solution of the National Combustion Code (NCC) on the same grid. Based on this work the intention is to apply this method to an existing unstructured grid radiation code which can then be coupled directly to NCC.

National Combustion Code↗

Photoelectric absorption cross sections with variable abundances

Polynomial fit coefficients have been obtained for the energy dependences of the photoelectric absorption cross sections of 17 astrophysically important elements. These results allow the calculation of X-ray absorption in the energy range 0.03-10 keV in material with noncosmic abundances.

Balucinska-Church, Monika↗

Displacement Based Multilevel Structural Optimization

In the complex environment of true multidisciplinary design optimization (MDO), efficiency is one of the most desirable attributes of any approach. In the present research, a new and highly efficient methodology for the MDO subset of structural optimization is proposed and detailed, i.e., for the weight minimization of a given structure under size, strength, and displacement constraints. Specifically, finite element based multilevel optimization of structures is performed. In the system level optimization, the design variables are the coefficients of assumed polynomially based global displacement functions, and the load unbalance resulting from the solution of the global stiffness equations is minimized. In the subsystems level optimizations, the weight of each element is minimized under the action of stress constraints, with the cross sectional dimensions as design variables. The approach is expected to prove very efficient since the design task is broken down into a large number of small and efficient subtasks, each with a small number of variables, which are amenable to parallel computing.

Sobieszezanski-Sobieski, J.↗

Displacement based multilevel structural optimization

Multidisciplinary design optimization (MDO) is expected to play a major role in the competitive transportation industries of tomorrow, i.e., in the design of aircraft and spacecraft, of high speed trains, boats, and automobiles. All of these vehicles require maximum performance at minimum weight to keep fuel consumption low and conserve resources. Here, MDO can deliver mathematically based design tools to create systems with optimum performance subject to the constraints of disciplines such as structures, aerodynamics, controls, etc. Although some applications of MDO are beginning to surface, the key to a widespread use of this technology lies in the improvement of its efficiency. This aspect is investigated here for the MDO subset of structural optimization, i.e., for the weight minimization of a given structure under size, strength, and displacement constraints. Specifically, finite element based multilevel optimization of structures (here, statically indeterminate trusses and beams for proof of concept) is performed. In the system level optimization, the design variables are the coefficients of assumed displacement functions, and the load unbalance resulting from the solution of the stiffness equations is minimized. Constraints are placed on the deflection amplitudes and the weight of the structure. In the subsystems level optimizations, the weight of each element is minimized under the action of stress constraints, with the cross sectional dimensions as design variables. This approach is expected to prove very efficient, especially for complex structures, since the design task is broken down into a large number of small and efficiently handled subtasks, each with only a small number of variables. This partitioning will also allow for the use of parallel computing, first, by sending the system and subsystems level computations to two different processors, ultimately, by performing all subsystems level optimizations in a massively parallel manner on separate processors. It is expected that the subsystems level optimizations can be further improved through the use of controlled growth, a method which reduces an optimization to a more efficient analysis with only a slight degradation in accuracy. The efficiency of all proposed techniques is being evaluated relative to the performance of the standard single level optimization approach where the complete structure is weight minimized under the action of all given constraints by one processor and to the performance of simultaneous analysis and design which combines analysis and optimization into a single step. It is expected that the present approach can be expanded to include additional structural constraints (buckling, free and forced vibration, etc.) or other disciplines (passive and active controls, aerodynamics, etc.) for true MDO.

Striz, Alfred G.↗

High Spectral Resolution MODIS Algorithms for Ocean Chlorophyll in Case II Waters

The Case 2 chlorophyll a algorithm is based on a semi-analytical, bio-optical model of remote sensing reflectance, R(sub rs)(lambda), where R(sub rs)(lambda) is defined as the water-leaving radiance, L(sub w)(lambda), divided by the downwelling irradiance just above the sea surface, E(sub d)(lambda,0(+)). The R(sub rs)(lambda) model (Section 3) has two free variables, the absorption coefficient due to phytoplankton at 675 nm, a(sub phi)(675), and the absorption coefficient due to colored dissolved organic matter (CDOM) or gelbstoff at 400 nm, a(sub g)(400). The R(rs) model has several parameters that are fixed or can be specified based on the region and season of the MODIS scene. These control the spectral shapes of the optical constituents of the model. R(sub rs)(lambda(sub i)) values from the MODIS data processing system are placed into the model, the model is inverted, and a(sub phi)(675), a(sub g)(400) (MOD24), and chlorophyll a (MOD21, Chlor_a_3) are computed. Algorithm development is initially focused on tropical, subtropical, and summer temperate environments, and the model is parameterized in Section 4 for three different bio-optical domains: (1) high ratios of photoprotective pigments to chlorophyll and low self-shading, which for brevity, we designate as 'unpackaged'; (2) low ratios and high self-shading, which we designate as 'packaged'; and (3) a transitional or global-average type. These domains can be identified from space by comparing sea-surface temperature to nitrogen-depletion temperatures for each domain (Section 5). Algorithm errors of more than 45% are reduced to errors of less than 30% with this approach, with the greatest effect occurring at the eastern and polar boundaries of the basins. Section 6 provides an expansion of bio-optical domains into high-latitude waters. The 'fully packaged' pigment domain is introduced in this section along with a revised strategy for implementing these variable packaging domains. Chlor_a_3 values derived semi-analytically and Chlor_a_2 values derived empirically using the O Reilly et al. OC3M algorithm from MODIS Terra radiances are compared to field chlorophyll-a concentrations in Sections 7 and 8.

Carder, Kendall L.↗

Hydraulic characteristics of flow through miniature slits

Hydraulic characteristics of micro-orifices arrayed in close proximity across the face of a liquid fuel injector are studied. Effects of geometry and flow variables on discharge coefficients and flow regimes are determined, as well as visible characteristics of the emerging liquid streams.

Powell, W. B.↗

The application of optimal control techniques to advanced manned missions, volume 2

The hybrid optimization techique for attitude control design is described in detail. The technque is capable of optimizing an n-dimensional adjustable parameter vector, but a 1-dimensional vector is used as an example to explain the procedure. This permits an easier explanation as opposed to a multidimensional case. The procedure used to derive the perturbation equations of motion describing the 6-DOF shuttle ascent phase is presented. These equations were programmed on the EAI 8800 analog computer to describe the perturbations of the shuttle vehicle from a nominal zero lift trajectory due to wind disturbances. Included are the control system equations, trim equations, and wind angle of attack equations. Analog wiring diagrams, raw data and time-varying coefficients, and state variable responses during shuttle ascent are also considered.

Connor, C. L.↗