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At least 415 records · Page 23

Computer model for refinery operations with emphasis on jet fuel production. Volume 3: Detailed systems and programming documentation

The FORTRAN computing program predicts flow streams and material, energy, and economic balances of a typical petroleum refinery, with particular emphasis on production of aviation turbine fuels of varying end point and hydrogen content specifications. The program has a provision for shale oil and coal oil in addition to petroleum crudes. A case study feature permits dependent cases to be run for parametric or optimization studies by input of only the variables which are changed from the base case.

Dunbar, D. N.↗

A new computational model for the prediction of mass loading phenomena for solar wind interactions with cometary and planetary ionospheres

The modified gasdynamic convected-magnetic-field MHD model developed by Spreiter and Stahara (1980) to simulate the supersonic flow of the solar wind past planetary magnetoionospheres is extended to account for cases (such as Venus and comets) in which significant numbers of neutral atmospheric atoms become ionized in the surrounding flow and add to its momentum, energy, and mass. The mathematical model and the solution procedures for the nose and tail regions are explained; typical computational grids are shown; and numerical results for a comet and for the Venus ionosheath and bow shock are presented graphically. It is found that the bow shock weakens and moves further upstream of the obstacle as mass loading is increased and the flow upstream of the bow shock becomes more compressed.

Stahara, Stephen S.↗

Accelerating computational modeling and design of high-entropy alloys

High-entropy alloys, with N elements and compositions {$c_{ν = 1,N}$} in competing crystal structures, have large design spaces for unique chemical and mechanical properties. In this work, to enable computational design, we use a metaheuristic hybrid Cuckoo search (CS) to construct alloy configurational models on the fly that have targeted atomic site and pair probabilities on arbitrary crystal lattices, given by supercell random approximates (SCRAPs) with S sites. Our Hybrid CS permits efficient global solutions for large, discrete combinatorial optimization that scale linearly in a number of parallel processors, and linearly in sites S for SCRAPs. For example, a four-element, 128-site SCRAP is found in seconds—a more than 13,000-fold reduction over current strategies. Our method thus enables computational alloy design that is currently impractical. We qualify the models and showcase application to real alloys with targeted atomic short-range order. Being problem-agnostic, our Hybrid CS offers potential applications in diverse fields.

36 MATERIALS SCIENCE↗

A strategy to study regional hydrology and terrestrial ecosystem processes using satellite remote sensing, ground-based data and computer modeling

A strategy is presented for integrating scanning multichannel microwave radiometer data from the Nimbus-7 satellite with meteorological station records and computer simulations of land surface hydrology, terrestrial nutrient cycling, and trace gas emission. Analysis of the observations together with radiative transfer analysis shows that in the tropics the temporal and spatial variations of the polarization difference are determined primarily by the structure and phenology of vegetation and seasonal inundations of major rivers and wetlands. It is concluded that the proposed surface hydrology model, along with climatological records, and, potentially, 37-GHz data for phenology, will provide inputs to a terrestrial ecosystem model that predicts regional net primary production and CO2 gas exchange.

Vorosmarty, C.↗

Computer modeling of large asteroid impacts into continental and oceanic sites: Atmospheric, cratering, and ejecta dynamics

Numerous impact cratering events have occurred on the Earth during the last several billion years that have seriously affected our planet and its atmosphere. The largest cratering events, which were caused by asteroids and comets with kinetic energies equivalent to tens of millions of megatons of TNT, have distributed substantial quantities of terrestrial and extraterrestrial material over much or all of the Earth. In order to study a large-scale impact event in detail, computer simulations were completed that model the passage of a 10 km-diameter asteroid through the Earth's atmosphere and the subsequent cratering and ejecta dynamics associated with impact of the asteroid into two different targets, i.e., an oceanic site and a continental site. The calcuations were designed to broadly represent giant impact events that have occurred on the Earth since its formation and specifically represent an impact cratering event proposed to have occurred at the end of Cretaceous time. Calculation of the passage of the asteroid through a U.S. Standard Atmosphere showed development of a strong bow shock that expanded radially outward. Behind the shock front was a region of highly shock compressed and intensely heated air. Behind the asteroid, rapid expansion of this shocked air created a large region of very low density that also expanded away from the impact area. Calculations of the cratering events in both the continental and oceanic targets were carried to 120 s. Despite geologic differences, impacts in both targets developed comparable dynamic flow fields, and by approx. 29 s similar-sized transient craters approx. 39 km deep and approx. 62 km across had formed. For all practical purposes, the atmosphere was nearly completely removed from the impact area for tens of seconds, i.e., air pressures were less than fractions of a bar out to ranges of over 50 km. Consequently, much of the asteroid and target materials were ejected upward into a near vacuum. Effects of secondary volcanism and return of the ocean over hot oceanic crater floor could also be expected to add substantial solid and vaporized material to the atmosphere, but these conditions were not studied.

Roddy, D. J.↗

Computational Modeling of Semiconductor Dynamics at Femtosecond Time Scales

The main objective of the Joint-Research Interchange NCC2-5149 was to develop computer codes for accurate simulation of femtosecond pulse propagation in semiconductor lasers and semiconductor amplifiers [I]. The code should take into account all relevant processes such as the interband and intraband carrier relaxation mechanisms and the many-body effects arising from the Coulomb interaction among charge carriers [2]. This objective was fully accomplished. We made use of a previously developed algorithm developed at NASA Ames [3]-[5]. The new algorithm was tested on several problems of practical importance. One such problem was related to the amplification of femtosecond optical pulses in semiconductors. These results were presented in several international conferences over a period of three years. With the help of a postdoctoral fellow, we also investigated the origin of instabilities that can lead to the formation of femtosecond pulses in different kinds of lasers. We analyzed the occurrence of absolute instabilities in lasers that contain a dispersive host material with third-order nonlinearities. Starting from the Maxwell-Bloch equations, we derived general multimode equations to distinguish between convective and absolute instabilities. We find that both self-phase modulation and intensity-dependent absorption can dramatically affect the absolute stability of such lasers. In particular, the self-pulsing threshold (the so-called second laser threshold) can occur at few times the first laser threshold even in good-cavity lasers for which no self-pulsing occurs in the absence of intensity-dependent absorption. These results were presented in an international conference and published in the form of two papers.

Agrawal, Govind P.↗

Computational Modeling for Non-Equilibrium Shock Tube Flows

Time accurate simulation of non-equilibrium flows inside shock tube facilities presents several challenges from both physical and mathematical aspects. Furthermore, the large computational cost makes it impractical to support a real-time experimental test campaign. In this work, we explore other methods for modeling the shock tube problem with the main focus on the post-shock region and the absolute radiation emanating from it. The proposed alternative approach is several orders of magnitude less computationally expensive while still accurate enough with regards to the quantities of interest. Excellent agreement is found with the established stagnation-line approach. Comparison with time-accurate simulations shows good agreement close to the peak values and disagreement of the temperatures relaxation and radiance profiles toward equilibrium.

Bensassi, Khalil↗

Computational modeling and validation for hypersonic inlets

Hypersonic inlet research activity at NASA is reviewed. The basis is the experimental tests performed with three inlets: the NASA-Lewis Mach 5, the McDonnell Douglas Mach 12, and the NASA-Langley Mach 18. Both 3-D parabolized Navier-Stokes and Navier-Stokes codes were used to compute the flow within the three inlets. Modeling assumptions in the codes involve the turbulence model, the nature of the boundary layer, shock wave boundary layer interaction, and the flow spilled to the outside of the inlet. Use of the codes in conjunction with the experimental data are helping to develop a clearer knowledge of the inlet flow physics and to focus on the modeling improvements required in order to arrive at validated codes.

Povinelli, Louis A.↗

Computational Modeling and Validation for Hypersonic Inlets

Hypersonic inlet research activity at NASA is reviewed. The basis for the paper is the experimental tests performed with three inlets: the NASA Lewis Research Center Mach 5, the McDonnell Douglas Mach 12, and the NASA Langley Mach 18. Both three-dimensional PNS and NS codes have been used to compute the flow within the three inlets. Modeling assumptions in the codes involve the turbulence model, the nature of the boundary layer, shock wave-boundary layer interaction, and the flow spilled to the outside of the inlet. Use of the codes and the experimental data are helping to develop a clearer understanding of the inlet flow physics and to focus on the modeling improvements required in order to arrive at validated codes.

Povinelli, Louis A.↗

Computational Modeling of Two Mars Powered Descent Vehicle Concepts Tested in the Langley Unitary Plan Wind Tunnel

Future human Mars missions will require powered descent starting at supersonic conditions, something which has never been done before at Mars. Computational powered descent flowfield simulations have been completed at full-scale Mars conditions, but the available ground test data are not suitable for calibrating computational uncertainties for aerodynamic interference on proposed Mars descent vehicles. Testing was conducted in the NASA Langley Unitary Plan Wind Tunnel in order to investigate the aerodynamic interference of sub-scale versions of two Mars powered descent vehicle concepts at supersonic Mach numbers (2.4 and 3.5): a model based on a blunt hypersonic inflatable aerodynamic decelerator (HIAD) and the second representing a more slender rigid vehicle with body flaps (CobraMRV). This paper covers computational flowfield predictions completed at wind tunnel conditions and comparisons to the test data. On the blowing HIAD models, the time-averaged pressure inboard of the nozzles was generally well-predicted, especially if the nozzles are canted outward, when the nozzles are located further from the nose. At intermediate CobraMRV thrust coefficients, CFD pressures are more accurately predicted than they are for the HIAD models, largely due to the nozzle locations and pointing directions. Overall, the CFD pressure coefficients were predicted within 0.2 of the steady pressure measurements for all blowing models, with smaller discrepancies at higher HIAD thrust, and larger discrepancies at lower HIAD CobraMRV thrust. All HIAD models were predicted to have a gradually decreasing axial force coefficient as the total thrust increases, in agreement with available pressure sensitive paint data. On models with canted nozzles or with nozzles further from the nose, the force coefficient was slightly higher for a given thrust. On the CobraMRV model, the CFD also shows consistent results between solvers and follows trends revealed in the data; the aerodynamic force coefficient remains near the non-blowing value at a tunnel Mach number of 2.4 regardless of thrust, and increases above that level at a Mach number of 3.5, consistent with the discrete pressure data. CFD analysis at tunnel and flight conditions will continue as flight system designs concepts mature.

Supersonic Retropropulsion↗

Computational modeling and validation for hypersonic inlets

Hypersonic inlet research activity at NASA is reviewed. The basis is the experimental tests performed with three inlets: the NASA Lewis Research Center Mach 5, the McDonnell Douglas Mach 12, and the NASA Langley Mach 18. Both three-dimensional parabolized Navier-Stokes and Navier-Stokes codes were used to compute the flow within the three inlets. Modeling assumptions in the codes involve the turbulence model, the nature of the boundary layer, shock wave boundary layer interaction, and the flow spilled to the outside of the inlet. Use of the codes in conjunction with the experimental data are helping to develop a clearer understanding of the inlet flow physics and to focus on the modeling improvements required in order to arrive at validated codes.

Povinelli, Louis A.↗

Computational Modeling of Two Mars Powered Descent Vehicle Concepts Tested in the Langley Unitary Plan Wind Tunnel

Future human Mars missions will require powered descent starting at supersonic conditions, something which has never been done before at Mars. Computational powered descent flowfield simulations have been completed at full-scale Mars conditions, but the available ground test data are not suitable for calibrating computational uncertainties for aerodynamic interference on proposed Mars descent vehicles. Testing was conducted in the NASA Langley Unitary Plan Wind Tunnel in order to investigate the aerodynamic interference of sub-scale versions of two Mars powered descent vehicle concepts at supersonic Mach numbers (2.4 and 3.5): a model based on a blunt hypersonic inflatable aerodynamic decelerator (HIAD) and the second representing a more slender rigid vehicle with body flaps (CobraMRV). This paper covers computational flowfield predictions completed at wind tunnel conditions and comparisons to the test data. On the blowing HIAD models, the time-averaged pressure inboard of the nozzles was generally well-predicted, especially if the nozzles are canted outward, when the nozzles are located further from the nose. At intermediate CobraMRV thrust coefficients, CFD pressures are more accurately predicted than they are for the HIAD models, largely due to the nozzle locations and pointing directions. Overall, the CFD pressure coefficients were predicted within 0.2 of the steady pressure measurements for all blowing models, with smaller discrepancies at higher HIAD thrust, and larger discrepancies at lower HIAD CobraMRV thrust. All HIAD models were predicted to have a gradually decreasing axial force coefficient as the total thrust increases, in agreement with available pressure sensitive paint data. On models with canted nozzles or with nozzles further from the nose, the force coefficient was slightly higher for a given thrust. On the CobraMRV model, the CFD also shows consistent results between solvers and follows trends revealed in the data; the aerodynamic force coefficient remains near the non-blowing value at a tunnel Mach number of 2.4 regardless of thrust, and increases above that level at a Mach number of 3.5, consistent with the discrete pressure data. CFD analysis at tunnel and flight conditions will continue as flight system designs concepts mature.

Supersonic Retropropulsion↗

Computer Modeling and Analysis of Truck Generated Salt-Spray Transport Near Bridges

Bridge painting is very expensive. Over the lifetime of a bridge, painting to protect the steel from the elements can cost a large fraction of the original construction cost. In addition to monetary costs, maintenance workers face health risks if strict procedures are not in place to avoid exposure to hazardous dust when old paint is removed and the fumes of hazardous chemicals when new paint is applied. Use of weathering steel in bridge construction avoids the large cost of periodic painting and the hazards of paint removal and repainting because this type of steel is never painted. When exposed to weather, the initial corrosion of weathering steel forms a natural corrosion resistant layer that prevents further corrosion under a wide variety of conditions. Given the advantages of using weathering steel, the choice might appear to be obvious. However, the large potential savings in bridge maintenance costs in using weathering steel are not always realized because the protective patina layer fails to adhere when the steel is exposed to excessively salt-laden and moisture-laden environments. A multi-year study is underway by the FHWA to better quantify the conditions that lead to excessive corrosion in weathering steel bridges. This report documents work using computational fluid dynamics (CFD) analysis to study the conditions and mechanisms that lead from the salt spray thrown from truck tires to salt water droplets reaching bridge girders. Computer simulations use the advanced motion modeling capability called a “sliding mesh” in the CFD software to move one or more large trucks under bridges at 60 mph. The computations include multiphase spray droplet tracking of salt-laden water droplets coming off the tires.

Lottes, S. A.↗

Computer Modeling of the Earliest Cellular Structures and Functions

In the absence of extinct or extant record of protocells (the earliest ancestors of contemporary cells). the most direct way to test our understanding of the origin of cellular life is to construct laboratory models of protocells. Such efforts are currently underway in the NASA Astrobiology Program. They are accompanied by computational studies aimed at explaining self-organization of simple molecules into ordered structures and developing designs for molecules that perform proto-cellular functions. Many of these functions, such as import of nutrients, capture and storage of energy. and response to changes in the environment are carried out by proteins bound to membrane< We will discuss a series of large-scale, molecular-level computer simulations which demonstrate (a) how small proteins (peptides) organize themselves into ordered structures at water-membrane interfaces and insert into membranes, (b) how these peptides aggregate to form membrane-spanning structures (eg. channels), and (c) by what mechanisms such aggregates perform essential proto-cellular functions, such as proton transport of protons across cell walls, a key step in cellular bioenergetics. The simulations were performed using the molecular dynamics method, in which Newton's equations of motion for each item in the system are solved iteratively. The problems of interest required simulations on multi-nanosecond time scales, which corresponded to 10(exp 6)-10(exp 8) time steps.

Pohorille, Andrew↗

A Technique Using Principal Component Analysis to Compare Seasonal Cycles of Earth Radiation from CERES and Model Computations

A method for quantitatively comparing the seasonal cycles of two global data sets is presented. The seasonal cycles of absorbed solar radiation (ASR) and outgoing longwave radiation (OLR) have been computed from an eight-year data set from the Clouds and Earth's Radiant Energy System (CERES) scanning radiometers and from a model data set produced by the NASA Goddard Space Flight Center Global Modeling and Assimilation Office. To compare the seasonal cycles from these two data sets, principal component (PC) analysis is used, where the PCs express the time variations and the corresponding empirical orthogonal functions (EOFs) describe the geographic variations. Ocean has a long thermal response time compared to land, so land and ocean are separated for the analysis. The root-mean square values for the seasonal cycles of ASR and OLR are extremely close for the two data sets. The first three PCs are quite close, showing that the time responses and magnitudes over the globe are very similar. The agreement between the two sets of PCs is quantified by computing the matrix of inner products of the two sets. For ASR over land, the first PCs of CERES and the model agree to better than 99.9%. The EOF maps are similar for most of the globe, but differ in a few places, and the agreement of the EOF maps is likewise quantified. Maps of differences between the annual cycles show regions of agreement and disagreement.

Smith, G. Louis↗

Shear-induced aggregation or disaggregation in edible oils: Models, computer simulation, and USAXS measurements

The effects of shear upon the aggregation of solid objects formed from solid triacylglycerols (TAGs) immersed in liquid TAG oils were modeled using Dissipative Particle Dynamics (DPD) and the predictions compared to experimental data using Ultra-Small Angle X-ray Scattering (USAXS). The solid components were represented by spheres interacting via attractive van der Waals forces and short range repulsive forces. A velocity was applied to the liquid particles nearest to the boundary, and Lees-Edwards boundary conditions were used to transmit this motion to non-boundary layers via dissipative interactions. The shear was created through the dissipative forces acting between liquid particles. Translational diffusion was simulated, and the Stokes-Einstein equation was used to relate DPD length and time scales to SI units for comparison with USAXS results. The SI values depended on how large the spherical particles were (250 nm vs. 25 nm). Aggregation was studied by (a) computing the Structure Function and (b) quantifying the number of pairs of solid spheres formed. Solid aggregation was found to be enhanced by low shear rates. As the shear rate was increased, a transition shear region was manifested in which aggregation was inhibited and shear banding was observed. Aggregation was inhibited, and eventually eliminated, by further increases in the shear rate. The magnitude of the transition region shear, $\dot{γ}_t$, depended on the size of the solid particles, which was confirmed experimentally.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗