Computer program to calculate convective heat-transfer coefficients from harmonic temperature oscillations
Computer program for calculation convective heat transfer coefficients from harmonic temperature oscillations
Amling, G. E.↗
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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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Analysis of the radiation patterns of reflector antennas
The development and application of a numerical technique for rapid calculation of the far-field radiation patterns of a reflector antenna from either a measured or computed feed pattern are reported. The reflector is defined by the intersection of a cone with any surface of revolution or an offset sector of any surface of revolution. The feed is assumed to be linearly polarized and can have an arbitrary location. Both the copolarized and the cross-polarized reflector radiation patterns are computed. Calculations using the technique compare closely with measured radiation patterns of a waveguide-fed offset parabolic reflector. Unique features of this technique are freedom from restrictive feed assumptions and the numerical methods used in preparing the aperture-plane electric-field data for integration.
Kauffman, J. F.↗
Euler Calculations at Off-Design Conditions for an Inlet of Inward Turning RBCC-SSTO Vehicle
The inviscid performance of an inward turning inlet design is calculated computationally for the first time. Hypersonic vehicle designs based on the inward turning inlets have been shown analytically to have increased effective specific impulse and lower heat load than comparably designed vehicles with two-dimensional inlets. The inward turning inlets are designed inversely from inviscid stream surfaces of known flow fields. The computational study is performed on a Mach 12 inlet design to validate the performance predicted by the design code (HAVDAC) and calculate its off-design Mach number performance. The three-dimensional Euler equations are solved for Mach 4, 8, and 12 using a software package called SAM, which consists of an unstructured mesh generator (SAMmesh), a three-dimensional unstructured mesh flow solver (SAMcfd), and a CAD-based software (SAMcad). The computed momentum averaged inlet throat pressure is within 6% of the design inlet throat pressure. The mass-flux at the inlet throat is also within 7 % of the value predicted by the design code thereby validating the accuracy of the design code. The off-design Mach number results show that flow spillage is minimal, and the variation in the mass capture ratio with Mach number is comparable to an ideal 2-D inlet. The results from the inviscid flow calculations of a Mach 12 inward turning inlet indicate that the inlet design has very good on and off-design performance which makes it a promising design candidate for future air-breathing hypersonic vehicles.
Takashima, N.↗
Application of MORSE to radiation analysis of nuclear flight propulsion modules
Several modifications and additions were made to the multigroup Monte Carlo code (MORSE) to implement its use in a computational procedure for performing radiation analyses of NERVA nuclear flight propulsion modules. These changes include the incorporation of a new general geometry module; the inclusion of an expectation tracklength estimator; and the option to obtain source information from two-dimensional discrete ordinates calculations. Computations comparing MORSE and a point cross section Monte Carlo code, COHORT, were made in which a coupled discrete ordinates/Monte Carlo procedure was used to calculate the gamma dose rate at tank top locations of a typical propulsion module. The dose rates obtained from the MORSE computation agreed with the dose rates obtained from the COHORT computation to within the limits of the statistical accuracy of the calculations.
Woolson, W. A.↗
Computer Program for Calculating the Temperature Field of Face Seals
FORTRAN 4 program for use on IBM 7094 computer for calculating temperature field of shaft seals is described. Shaft seals are composed of basically axisymmetric bodies. Cylindrical coordinate system is used as basis for analysis. Program is quite general and can be applied to variety of axisymmetric body problems.
Russell, T. E.↗
Computer program for calculating laminar, transitional, and turbulent boundary layers for a compressible axisymmetric flow
Finite-difference computer program calculates viscous compressible boundary layer flow over either planar or axisymmetric surfaces. Flow may be initially laminar and progress through transitional zone to fully turbulent flow, or it may remain laminar, depending on imposed boundary conditions, laws of viscosity, and numerical solution of momentum and energy equations.
Albers, J. A.↗
Comparison of computer codes for calculating dynamic loads in wind turbines
Seven computer codes for analyzing performance and loads in large, horizontal axis wind turbines were used to calculate blade bending moment loads for two operational conditions of the 100 kW Mod-0 wind turbine. Results were compared with test data on the basis of cyclic loads, peak loads, and harmonic contents. Four of the seven codes include rotor-tower interaction and three were limited to rotor analysis. With a few exceptions, all calculated loads were within 25 percent of nominal test data.
Spera, D. A.↗
The solution structures and relative stability constants of lanthanide–EDTA complexes predicted from computation
Ligand selectivity to specific lanthanide (Ln) ions is key to the separation of rare earth elements from each other. Ligand selectivity can be quantified with relative stability constants (measured experimentally) or relative binding energies (calculated computationally). The relative stability constants of EDTA (ethylenediaminetetraacetic acid) with La 3+ , Eu 3+ , Gd 3+ , and Lu 3+ were predicted from relative binding energies, which were quantified using electronic structure calculations with relativistic effects and based on the molecular structures of Ln–EDTA complexes in solution from density functional theory molecular dynamics simulations. The protonation state of an EDTA amine group was varied to study pH ~7 and ~11 conditions. Further, simulations at 25 °C and 90 °C were performed to elucidate how structures of Ln–EDTA complexes varying with temperature are related to complex stabilities at different pH conditions. Relative stability trends are predicted from computation for varying Ln 3+ ions (La, Eu, Gd, Lu) with a single ligand (EDTA at pH ~11), as well as for a single Ln 3+ ion (La) with varying ligands (EDTA at pH ~7 and ~11). Changing the protonation state of an EDTA amine site significantly changes the solution structure of the Ln–EDTA complex resulting in a reduction of the complex stability. As a result, increased Ln–ligand complex stability is correlated to reduced structural variations in solution upon an increase in temperature.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Comparison of computer codes for calculating dynamic loads in wind turbines
Seven computer codes for analyzing performance and loads in large, horizontal-axis wind turbines were used to calculate blade bending moment loads for two operational conditions of the 100 kW Mod-O wind turbine. Results are compared with test data on the basis of cyclic loads, peak loads, and harmonic contents. Four of the seven codes include rotor-tower interaction and three are limited to rotor analysis. With a few exceptions, all calculated loads were within 25% of nominal test data.
Spera, D. A.↗
Modelling drug adsorption in metal–organic frameworks: the role of solvent
Solvent plays a key role in biological functions, catalysis, and drug delivery. Metal–organic frameworks (MOFs) due to their tunable functionalities, porosities and surface areas have been recently used as drug delivery vehicles. To investigate the effect of solvent on drug adsorption in MOFs, we have performed integrated computational and experimental studies in selected biocompatible MOFs, specifically, UiO-AZB, HKUST-1 (or CuBTC) and NH 2 -MIL-53(Al). The adsorption of three drugs, namely, 5-fluorouracil (5-FU), ibuprofen (IBU), and hydroxyurea (HU) were performed in the presence and absence of the ethanol. Our computational predictions, at 1 atmospheric pressure, showed a reasonable agreement with experimental studies performed in the presence of ethanol. We find that in the presence of ethanol the drug molecules were adsorbed at the interface of solvent and MOFs. Moreover, the computationally calculated adsorption isotherms suggested that the drug adsorption was driven by electrostatic interactions at lower pressures (<10 –4 Pa). Our computational predictions in the absence of ethanol were higher compared to those in the presence of ethanol. The MOF–adsorbate interaction (U HA ) energy decreased with decrease in the size of a drug molecule in all three MOFs at all simulated pressures. At high pressure the interaction energy increases with increase in the MOFs pore size as the number of molecules adsorbed increases. Thus, our research shows the important role played by solvent in drug adsorption and suggests that it is critical to consider solvent while performing computational studies.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Storage peak gas-turbine power unit
A storage gas-turbine power plant using a two-cylinder compressor with intermediate cooling is studied. On the basis of measured characteristics of a .25 Mw compressor computer calculations of the parameters of the loading process of a constant capacity storage unit (05.3 million cu m) were carried out. The required compressor power as a function of time with and without final cooling was computed. Parameters of maximum loading and discharging of the storage unit were calculated, and it was found that for the complete loading of a fully unloaded storage unit, a capacity of 1 to 1.5 million cubic meters is required, depending on the final cooling.
Tsinkotski, B.↗
Hybrid computer techniques for determining probability distribution.
Hybrid computer calculation of instantaneous and peak amplitude probability distribution of random signal
COMPUTER METHOD↗
Breaking the Limit of Size-Dependent CO2RR Selectivity in Ag Nanoparticle Electrocatalysts through Electronic Metal-Carbon Interactions: Insights from Computational Hydrogen Electrode Calculations
This poster highlights the use of computational hydrogen electrode approach to explain the improved activity and selectivity of Ag nanoparticle catalysts for CO2 to CO conversion observed in the experiments. The calculations predict a charge transfer from the Ag nanoparticle to a defective carbon surface, stabilizing the *COOH intermediate through reduced antibonding orbital overlap, significantly reducing the *COOH formation energy barrier, and improving CO2-to-CO conversion selectivity compared with Ag nanocluster on defect-free carbon. These results provide new insights into carbon-supported electrocatalysts for CO2RR and introduce a new approach for creating active and selective nanocatalysts.
electrocatalysis↗
A digital computer program for calculating steady temperature and density distributions in a gas containing heat sources
Computer program for calculating axial temperature and density distribution in nuclear reactor gas exposed to neutron flux
GAS HEATING↗
Quantum states of cylindrical surface charge density for modeling plasmonic circuit elements: Nanowires, nanorods, cavities, and waveguides
Nanostructures in the form of ellipsoids, prolate spheroids, rings, and cylinders are known to exhibit resonant surface and cavity modes with applications in nanophotonics and plasmonics and, more recently, in novel quantum experiments, in which control of plasmons and their interactions with plasmons, photons, phonons, excitons, and quantum emitters are desired. Nanorods and nanowires are examples of plasmonic structures with spectral properties of potential use as interconnects and circuit components. Additionally, estimates of the surface properties of these components are needed in circuit design and integrated systems. Here, we present a quantum Hamiltonian for the cylindrical surface charge density. We then study the photon excitation of plasmons on the cylindrical surface and calculate their scattering and radiative decay rate. Nonradiative decay of plasmons induces an efficient heating of the nanoparticle and can photoacoustically excite mechanical oscillations. Computational calculations are also presented for the plasmonic modes and the ensuing excitations of nanomechanical eigenmodes of nanoparticles with near-cylindrical symmetries.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
A Monte Carlo study of Weibull reliability analysis for space shuttle main engine components
The incorporation of a number of additional capabilities into an existing Weibull analysis computer program and the results of Monte Carlo computer simulation study to evaluate the usefulness of the Weibull methods using samples with a very small number of failures and extensive censoring are discussed. Since the censoring mechanism inherent in the Space Shuttle Main Engine (SSME) data is hard to analyze, it was decided to use a random censoring model, generating censoring times from a uniform probability distribution. Some of the statistical techniques and computer programs that are used in the SSME Weibull analysis are described. The methods documented in were supplemented by adding computer calculations of approximate (using iteractive methods) confidence intervals for several parameters of interest. These calculations are based on a likelihood ratio statistic which is asymptotically a chisquared statistic with one degree of freedom. The assumptions built into the computer simulations are described. The simulation program and the techniques used in it are described there also. Simulation results are tabulated for various combinations of Weibull shape parameters and the numbers of failures in the samples.
Abernethy, K.↗
Significance arithmetic experimental package (SIGPAC)
Method for use by computing facility to determine accuracy of computer calculations is presented. Primary goals of error analysis program are described. Program is designed for both FORTRAN 4 and ASSEMBLER for use with IBM 360 computer.
Cole, I.↗
Computer Program for Calculation of a Gas Temperature Profile by Infrared Emission: Absorption Spectroscopy
A computer program to calculate the temperature profile of a flame or hot gas was presented in detail. Emphasis was on profiles found in jet engine or rocket engine exhaust streams containing H2O or CO2 radiating gases. The temperature profile was assumed axisymmetric with an assumed functional form controlled by two variable parameters. The parameters were calculated using measurements of gas radiation at two wavelengths in the infrared. The program also gave some information on the pressure profile. A method of selection of wavelengths was given that is likely to lead to an accurate determination of the parameters. The program is written in FORTRAN IV language and runs in less than 60 seconds on a Univac 1100 computer.
Buchele, D. R.↗