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At least 919 records · Page 51

Program Calculates Forces in Bolted Structural Joints

FORTRAN 77 computer program calculates forces in bolts in the joints of structures. This program is used in conjunction with the NASTRAN finite-element structural-analysis program. A mathematical model of a structure is first created by approximating its load-bearing members with representative finite elements, then NASTRAN calculates the forces and moments that each finite element contributes to grid points located throughout the structure. The user selects the finite elements that correspond to structural members that contribute loads to the joints of interest, and identifies the grid point nearest to each such joint. This program reads the pertinent NASTRAN output, combines the forces and moments from the contributing elements to determine the resultant force and moment acting at each proximate grid point, then transforms the forces and moments from these grid points to the centroids of the affected joints. Then the program uses these joint loads to obtain the axial and shear forces in the individual bolts. The program identifies which bolts bear the greatest axial and/or shear loads. The program also performs a fail-safe analysis in which the foregoing calculations are repeated for a sequence of cases in which each fastener, in turn, is assumed not to transmit an axial force.

Buder, Daniel A.↗

Bulk Enthalpy Calculations in the Arc Jet Facility at NASA ARC

The Arc Jet Facilities at NASA Ames Research Center generate test streams with enthalpies ranging from 5 MJ/kg to 25 MJ/kg. The present work describes a rigorous method, based on equilibrium thermodynamics, for calculating the bulk enthalpy of the flow produced in two of these facilities. The motivation for this work is to determine a dimensionally-correct formula for calculating the bulk enthalpy that is at least as accurate as the conventional formulas that are currently used. Unlike previous methods, the new method accounts for the amount of argon that is present in the flow. Comparisons are made with bulk enthalpies computed from an energy balance method. An analysis of primary facility operating parameters and their associated uncertainties is presented in order to further validate the enthalpy calculations reported herein.

Thompson, Corinna S.↗

CFD-CAA Coupled Calculations of a Tandem Cylinder Configuration to Assess Facility Installation Effects

This paper presents a numerical assessment of acoustic installation effects in the tandem cylinder (TC) experiments conducted in the NASA Langley Quiet Flow Facility (QFF), an open-jet, anechoic wind tunnel. Calculations that couple the Computational Fluid Dynamics (CFD) and Computational Aeroacoustics (CAA) of the TC configuration within the QFF are conducted using the CFD simulation results previously obtained at NASA LaRC. The coupled simulations enable the assessment of installation effects associated with several specific features in the QFF facility that may have impacted the measured acoustic signature during the experiment. The CFD-CAA coupling is based on CFD data along a suitably chosen surface, and employs a technique that was recently improved to account for installed configurations involving acoustic backscatter into the CFD domain. First, a CFD-CAA calculation is conducted for an isolated TC configuration to assess the coupling approach, as well as to generate a reference solution for subsequent assessments of QFF installation effects. Direct comparisons between the CFD-CAA calculations associated with the various installed configurations allow the assessment of the effects of each component (nozzle, collector, etc.) or feature (confined vs. free jet flow, etc.) characterizing the NASA LaRC QFF facility.

Redonnet, Stephane↗

Theoretical Calculation of Jet Fuel Thermochemistry: Tetrahydrodicylopentadiene (JP10) Thermochemistry Using the CBS-QB3 and G3(MP2)//B3LYP Methods - 1

High-level ab initio calculations have been performed on the exo and endo isomers of gas-phase tetrahydrodicyclopentadiene (THDCPD), a principal component of the jet fuel JP10, using the Gaussian Gx and Gx(MPx) composite methods, as well as the CBS-QB3 method, and using a variety of isodesmic and homodesmotic reaction schemes. The impetus for this work is to help resolve large discrepancies existing between literature measurements of the formation enthalpy Delta (sub f)H deg (298) for exo-THDCPD. We find that use of the isodesmic bond separation reaction C10H16 + 14CH4 yields 12C2H6 yields results for the exo isomer (JP10) in between the two experimentally accepted values, for the composite methods G3(MP2), G3(MP2)//B3LYP, and CBS-QB3. Application of this same isodesmic bond separation scheme to gas-phase adamantane yields a value for Delta (sub f)H deg (298) within 5 kJ/mol of experiment. Isodesmic bond separation calculations for the endo isomer give a heat of formation in excellent agreement with the experimental measurement. Combining our calculated values for the gas-phase heat of formation with recent measurements of the heat of vaporization yields recommended values for Delta (sub f)H deg (298)liq of -126.4 and -114.7 kJ/mol for the exo and endo isomers, respectively.

Zehe, Michael J.↗

Use of Fluka to Create Dose Calculations

Monte Carlo codes provide an effective means of modeling three dimensional radiation transport; however, their use is both time- and resource-intensive. The creation of a lookup table or parameterization from Monte Carlo simulation allows users to perform calculations with Monte Carlo results without replicating lengthy calculations. FLUKA Monte Carlo transport code was used to develop lookup tables and parameterizations for data resulting from the penetration of layers of aluminum, polyethylene, and water with areal densities ranging from 0 to 100 g/cm^2. Heavy charged ion radiation including ions from Z=1 to Z=26 and from 0.1 to 10 GeV/nucleon were simulated. Dose, dose equivalent, and fluence as a function of particle identity, energy, and scattering angle were examined at various depths. Calculations were compared against well-known results and against the results of other deterministic and Monte Carlo codes. Results will be presented.

Lee, Kerry T.↗

The WFIRST Galaxy Survey Exposure Time Calculator

This document describes the exposure time calculator for the Wide-Field Infrared Survey Telescope (WFIRST) high-latitude survey. The calculator works in both imaging and spectroscopic modes. In addition to the standard ETC functions (e.g. background and SN determination), the calculator integrates over the galaxy population and forecasts the density and redshift distribution of galaxy shapes usable for weak lensing (in imaging mode) and the detected emission lines (in spectroscopic mode). The source code is made available for public use.

Hirata, Christopher M.↗

Line Coupling Effects in the Isotropic Raman Spectra of N2: A Quantum Calculation at Room Temperature

We present quantum calculations of the relaxation matrix for the Q branch of N2 at room temperature using a recently proposed N2-N2 rigid rotor potential. Close coupling calculations were complemented by coupled states studies at high energies and provide about 10200 two-body state-to state cross sections from which the needed one-body cross-sections may be obtained. For such temperatures, convergence has to be thoroughly analyzed since such conditions are close to the limit of current computational feasibility. This has been done using complementary calculations based on the energy corrected sudden formalism. Agreement of these quantum predictions with experimental data is good, but the main goal of this work is to provide a benchmark relaxation matrix for testing more approximate methods which remain of a great utility for complex molecular systems at room (and higher) temperatures.

nitrogen↗

A Recommended New Approach on Motorization Ratio Calculations of Stepper Motors

Stepper motors are widely used on most spacecraft mechanisms requiring repeatable and reliable performance. The unique detent torque characteristics of these type of motors makes them behave differently when subjected to low duty cycle excitations where the applied driving pulses are only energized for a fraction of the pulse duration. This phenomenon is even more pronounced in discrete permanent magnet stepper motors used in the space industry. While the inherent high detent properties of discrete permanent magnets provide desirable unpowered holding performance characteristics, it results in unique behavior especially in low duty cycles. Notably, the running torque reduces quickly to the unpowered holding torque when the duty cycle is reduced. The space industry's accepted methodology of calculating the Motorization Ratio (or Torque Margin) is more applicable to systems where the power is continuously applied to the motor coils like brushless DC motors where the cogging torques are low enough not to affect the linear performance of the motors as a function of applied current. This paper summarizes the theoretical and experimental studies performed on a number of space qualified motors under different pulse rates and duty cycles. It is the intention of this paper to introduce a new approach to calculate the Motorization Ratios for discrete permanent magnet steppers under all full and partial duty cycle regimes. The recommended approach defines two distinct relationships to calculate the Motorization Ratio for 100 percent duty cycle and partial duty cycle, when the motor detent (unpowered holding torque) is the main contributor to holding position. These two computations reflect accurately the stepper motor physical behavior as a function of the command phase (ON versus OFF times of the pulses), pointing out how the torque contributors combine. Important points highlighted under this study are the torque margin computations, in particular for well characterized mechanisms. The rationale at CDR level versus TRR/TRB level will be discussed, aiming at avoiding too much conservatism for units that have extensive test and in flight heritage. A critical topic is related to the magnetic losses and how to sort out such phenomena as a function of the motor type being used. For instance, detent torque is a major contributor that has no reason to evolve during life and is not an uncontrolled torque loss.

Nalbandian, Ruben↗

On Calculation Methods and Results for Straight Cylindrical Roller Bearing Deflection, Stiffness, and Stress

The purpose of this study was to assess some calculation methods for quantifying the relationships of bearing geometry, material properties, load, deflection, stiffness, and stress. The scope of the work was limited to two-dimensional modeling of straight cylindrical roller bearings. Preparations for studies of dynamic response of bearings with damaged surfaces motivated this work. Studies were selected to exercise and build confidence in the numerical tools. Three calculation methods were used in this work. Two of the methods were numerical solutions of the Hertz contact approach. The third method used was a combined finite element surface integral method. Example calculations were done for a single roller loaded between an inner and outer raceway for code verification. Next, a bearing with 13 rollers and all-steel construction was used as an example to do additional code verification, including an assessment of the leading order of accuracy of the finite element and surface integral method. Results from that study show that the method is at least first-order accurate. Those results also show that the contact grid refinement has a more significant influence on precision as compared to the finite element grid refinement. To explore the influence of material properties, the 13-roller bearing was modeled as made from Nitinol 60, a material with very different properties from steel and showing some potential for bearing applications. The codes were exercised to compare contact areas and stress levels for steel and Nitinol 60 bearings operating at equivalent power density. As a step toward modeling the dynamic response of bearings having surface damage, static analyses were completed to simulate a bearing with a spall or similar damage.

Krantz, Timothy L.↗

Calculated Low-Speed Steady and Time-Dependent Aerodynamic Derivatives for Some Airfoils Using a Discrete Vortex Method

This paper contains a collection of some results of four individual studies presenting calculated numerical values for airfoil aerodynamic stability derivatives in unseparated inviscid incompressible flow due separately to angle-of-attack, pitch rate, flap deflection, and airfoil camber using a discrete vortex method. Both steady conditions and oscillatory motion were considered. Variables include the number of vortices representing the airfoil, the pitch axis / moment center chordwise location, flap chord to airfoil chord ratio, and circular or parabolic arc camber. Comparisons with some experimental and other theoretical information are included. The calculated aerodynamic numerical results obtained using a limited number of vortices provided in each study compared favorably with thin airfoil theory predictions. Of particular interest are those aerodynamic results calculated herein (such as induced drag) that are not readily available elsewhere.

Riley, Donald R.↗

Calculated Low-Speed Steady and Time-Dependent Aerodynamic Derivatives for Several Different Wings Using a Discrete Vortex Method

Calculated numerical values for some aerodynamic terms and stability Derivatives for several different wings in unseparated inviscid incompressible flow were made using a discrete vortex method involving a limited number of horseshoe vortices. Both longitudinal and lateral-directional derivatives were calculated for steady conditions as well as for sinusoidal oscillatory motions. Variables included the number of vortices used and the rotation axis/moment center chordwise location. Frequencies considered were limited to the range of interest to vehicle dynamic stability (kb <.24 ). Comparisons of some calculated numerical results with experimental wind-tunnel measurements were in reasonable agreement in the low angle-of-attack range considering the differences existing between the mathematical representation and experimental wind-tunnel models tested. Of particular interest was the presence of induced drag for the oscillatory condition.

Riley, Donald R.↗

Calculating Conductance of Ion Channels

We have simulated two small ion channels in a water/membrane system, which consists of 71,000-72,000 atoms, and have estimated the conductance by way of counting ions crossing these channels in applied field. The calculated values of conductance have been compared with predictions of the electrodiffusion model. In a recently developed theoretical framework, all commonly used assumptions of the model can be tested. If they are satisfied, which is often the case, the approach provides a rigorous way to extrapolate conductance calculated at one voltage to other voltages. This, in turn, allows for efficient estimations of current-voltage dependence, examining rectifying behavior of channels and calculating the reversal potential. Furthermore, the consistency of the results can be precisely tested. Simulations at microsecond time scales are required to sufficiently reduce statistical errors and separate them from possible systematic errors. Only then the accuracy of the proposed approach can be properly tested. Linking simulations with electrophysiology provides a stringent, highly relevant test for the correctness of computer simulations of ion channels. Considering biological, medical and pharmaceutical importance of these proteins, results of the proposed study might motivate the development of improved hardware and software that would enable applying a similar strategy to more complex channels at longer times.

Ion↗

Robustness and Behavior of Adjoint Calculations of Observation Impacts in Numerical Weather Prediction

Adjoint models are powerful tools that can be used to estimate the impact of observations on a chosen norm for numerical weather prediction forecasts. In this study, the Global Modeling and Assimilation Office (NASA/GMAO) Observing System Simulation Experiment framework is employed to investigate the behavior of the adjoint tool in an environment where the 'true' state of the atmosphere is fully known. This allows for the calculation of adjoint estimates of observation impact for very short forecast times including the zero-hour analysis state. The adjoint calculations using self-analysis verification can also be compared to adjoint calculations using the 'truth' as verification in order to characterize the robustness of adjoint estimations in the operational setting. Results from a experiments exploring various aspects of performance of the adjoint tool will be presented.

Prive, Nikki C.↗

Photoionization Calculations of the Radiation Force Due To Spectral Lines in AGNs

One of the main mechanisms that could drive mass outflows in active galactic nuclei (AGNs) is radiation pressure due to spectral lines. Although straightforward to understand, the actual magnitude of the radiation force is challenging to compute because the force depends on the physical conditions in the gas, as well as the strength, spectral energy distribution (SED), and geometry of the radiation field. We present results from our photoionization and radiation transfer calculations of the force multiplier, M(ξ, t), using the same radiation field to compute the gas photoionization and thermal balance. We assume low gas density (n = 104 per cu.cm) and column density (N ≤ 1017 per sq.cm), a Boltzmann distribution for the level populations, and the Sobolev approximation. Here, we describe results for two SEDs corresponding to an unobscured and obscured AGN in NGC 5548. Our main results are the following: (1) although M(ξ, t) starts to decrease with ξ for ξ gsim 1 as shown by others, this decrease in our calculations is relatively gradual and could be nonmonotonic as M(ξ, t) can increase by a factor of a few for ξ ≈ 10–1000; (2) at these same ξ for which the multiplier is higher than in previous calculations, the gas is thermally unstable by the isobaric criterion; (3) non-local thermodynamic equilibrium effects reduce M(t, ξ) by over two orders of magnitude for ξ gsim 100. The dynamical consequence of result (1) is that line driving can be important for ξ as high as 1000 when the LTE approximation holds, while result (2) provides a natural cloud formation mechanism that may account for the existence of narrow line regions. Result (3) suggests that line driving may not be important for ξ gsim 100 in tenuous plasma.

Dannen, Randall C.↗

Riley County Water Resources Project Summary - Comparing Runoff Curve Calculation Methods to Inform Local Resiliency Initiatives in Riley County, Kansas

Riley County, Kansas, has observed increased levels of flooding, potentially due to changes in land use/land cover (LULC) and seasonal vegetation variation. This study contrasts two methods of generating runoff curve numbers (CN) from 2006-2020. (1) The traditional Soil Conservation Service CN calculation method uses a look-up table and tracked LULC to determine runoff changes. These tables allow for land cover-specific CN and account for various farming techniques but lack flexibility in calculations for various seasons or plant health. (2) A dynamic method employs normalized difference vegetation index (NDVI) compiled over the rainy season each year to calculate CN using seasonal vegetation. This method allows for a more precise analysis of runoff variability within and between rainy seasons because it can be updated with greater temporal detail and captures higher spatial resolutions by using NDVI as a proxy for LULC. This study further uses inputs from the United States Geological Survey (USGS) National Land Cover Database (NLCD), the United States Department of Agriculture (USDA) Cropland Data Layer, and Landsat imagery to create more precise LULC raster datasets including both urban cover and crop-specific land use and curve number maps of the area. Results can guide decision makers in the City of Manhattan, Riley County Department of Planning and Development, Riley County Conservation District, the Kansas Forest Service, and the Kansas Department of Health and Environment toward informed decisions on resiliency strategies to address future flooding.

DEVELOP Project Summary↗

Dissociative Recombination (DR) and Associative Ionization (AI) Cross Section Calculations for the NO+ + e yields N + O (2D+3P, 2P+3P, and 2D+1D) Reaction for Atmospheric Entry Modeling

During entry of a space craft into Earth atmosphere, the flow surrounding the vehicle becomes partially ionized leading to significant cation and free-electron production. Subsequently, electron impact excitation and dissociation form radiating excited state species that contribute to the heat load on the vehicle. While experimental data on selected total cross sections are available, few experiments address the need for accurate AI cross sections for metastable atomic states at the high temperatures realized in atmospheric re-entry. In order to maintain desired safety margins during atmospheric entry of a space vehicle, chemical reaction models need to accurately account for this process. For the present study, we have computed vibrationally resolved cross sections for the DR of NO+ for electron energies between 0.01 to 10 eV and apply microscopic reversibility to obtain the AI cross sections and rate coefficients. For the DR cross section calculations, we use state-of-the-art MRCI potential energy curves. The resulting adiabatic potential curves are transformed to a diabatic representation, which is used in time-dependent wave packet calculations to describe the nuclear motion of the dissociating cation upon collision with an electron. Based on the wave function evolution in time, these calculations provide T-matrix and cross sections for the DR including recombination into the low energy metastable atomic states. The DR and AI rate coefficients are compared with the available experimental data.

Ewa Papajak↗

Line Coupling and Line Mixing Effects on Calculated Widths of Symmetric-Top Molecules With the k-Degeneracy: A Theoretical Study of N 2 -, O 2 -, and Air-Broadened Lines of CH 3 I

Calculations of the N 2 -, O 2 - and air-broadened widths, together with their temperature dependence exponents have been made for transitions of CH 3 I in the v 5 and v 6 bands. The calculations are based on a semi-classical line shape formalism developed by the current authors through modifying and refining the Robert-Bonamy formalism. In recent years, we have applied this formalism for linear molecules, symmetric-top molecules with inversion symmetry, and asymmetric-top molecules. For symmetric-top molecules with the k degeneracy such as CH 3 I, the formalism has a new feature. In this case, one should consider each of the CH 3 I transitions labeled by k i or ƒ ≠ 0 as a doublet. Then, one needs to consider the effects of the line mixing process between these two components. Comparisons of our theoretical predictions with some data available demonstrate a very reasonable agreement. Finally we propose new experiments at higher perturber pressures that would enable one to check the theoretically calculated relaxation matrices and to extend the analysis to the interdoublet mixing effects.

Line coupling↗

Ab Initio Electronic Structure Calculations of CNN for CN Excitation Studies

The CN molecule is an important contributor to radiative heat flux in shock layers around vehicles entering Titan’s atmosphere. Current data for heavy particle (de)excitation rate coefficients of CN leads to uncertainties in the population of CN in its first and second excited states. This in turn leads to uncertainties in the radiative heat flux predicted by Computational Fluid Dynamics (CFD) simulations of Titan atmospheric entry. This work performs ab initio electronic structure calculations of the CNN complex to create Potential Energy Surfaces (PESs) that correlate to the ground and first and second excited states of CN. Specifically, the state combinations of CN(X,A,B) + N(4S𝑜) correlate to six states of CNN (three Quintet A” and three Triplet A”). Initial calculations of these states suggest that heavy particle (de)excitation of CN by N atoms is likely to proceed through collinear geometries on triplet surfaces. Complete PESs will show all of the reaction pathways in detail, and will be used in nonadiabatic dynamics calculations to evaluate improved rate coefficients and reduce uncertainty in the radiative heat flux during Titan entry.

Eric C Geistfeld↗