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NASA NTRS1991

High-temperature properties of gases

Computational chemistry is being applied at NASA Ames Research Center to a variety of problems in chemistry, physics, and materials sciences. Supercomputers and modern computational chemistry techniques have provided a powerful new tool to help fill NASA's continuing need for information about the properties of gases and materials as well as their interaction. For example, radiative transition probabilities, spectroscopic constants, bond dissociation energies, transport properties, and chemical reaction rates for molecules can be determined computationally just as reliably as by experiment. Recent results on the radiative transition probabilities of the strongly radiating systems of air species, based on state-of-the-art computational chemistry calculations, are presented and compared with experimental data.

Cooper, David M.↗

NASA NTRS1990

Cyclotron lines - The next 100 years

The relationship between cyclotron lines and other spectral features of stars requires a numerical construction of theoretical spectra and numerical comparison of simulated and actual data. These techniques - combined with supercomputer technology - can enhance the study of X-ray and gamma-ray sources. The present understanding of the behavior of the rays is set forth, and the application of data from cyclotron line formation is suggested to examine accreting X-ray sources and gamma-ray bursts in neutron stars.

Wasserman, Ira↗

NASA NTRS1991

Numerical models of extragalactic radio sources

When supercomputer-implemented numerical simulations analyzing the nonlinear physics inherent in the hydrodynamic and MHD equations are applied to extragalactic radio sources, many of the complex structures observed on telescopic images are reproduced. Attention is presently given to recently obtained results from 2D and 3D numerical simulations of the formation and evolution of extended radio morphologies; these numerical models allow the exploration of such physical phenomena as the role of magnetic fields in the dynamics and emissivity of extended radio galaxies, intermittent outflow from the cores of active galaxies, fluid-jet instabilities, and the bending of collimated outflows by motion through the intergalactic medium.

Burns, Jack O.↗

NASA NTRS1991

Monte Carlo analysis of dissociation and recombination behind strong shock waves in nitrogen

Computations are presented for the relaxation zone behind strong, 1D shock waves in nitrogen. The analysis is performed with the direct simulation Monte Carlo method (DSMC). The DSMC code is vectorized for efficient use on a supercomputer. The code simulates translational, rotational and vibrational energy exchange and dissociative and recombinative chemical reactions. A model is proposed for the treatment of three body-recombination collisions in the DSMC technique which usually simulates binary collision events. The model improves previous models because it can be employed with a large range of chemical-rate data, does not introduce into the flow field troublesome pairs of atoms which may recombine upon further collision (pseudoparticles) and is compatible with the vectorized code. The computational results are compared with existing experimental data. It is shown that the derivation of chemical-rate coefficients must account for the degree of vibrational nonequilibrium in the flow. A nonequilibrium-chemistry model is employed together with equilibrium-rate data to compute the flow in several different nitrogen shock waves.

Boyd, I. D.↗

NASA NTRS1991

Wing design code using three-dimensional Euler equations and optimization

This paper describes a new wing design code which is based on the Euler equations and a constrained numerical optimization technique. The geometry modification is based on a set of fundamental modes define on the unit interval. A design example involving a high speed civil transport wing is presented to demonstrate the usefulness of the design code. It is shown that the use of an Euler solver in the direct numerical optimization procedures is affordable on the current generation of supercomputers.

Chang, I-Chung↗

NASA NTRS1991

The NAS parallel benchmarks

A new set of benchmarks has been developed for the performance evaluation of highly parallel supercomputers in the framework of the NASA Ames Numerical Aerodynamic Simulation (NAS) Program. These consist of five 'parallel kernel' benchmarks and three 'simulated application' benchmarks. Together they mimic the computation and data movement characteristics of large-scale computational fluid dynamics applications. The principal distinguishing feature of these benchmarks is their 'pencil and paper' specification-all details of these benchmarks are specified only algorithmically. In this way many of the difficulties associated with conventional benchmarking approaches on highly parallel systems are avoided.

Bailey, D. H.↗

NASA NTRS1990

Information technologies for astrophysics circa 2001

It is easy to extrapolate current trends to see where technologies relating to information systems in astrophysics and other disciplines will be by the end of the decade. These technologies include mineaturization, multiprocessing, software technology, networking, databases, graphics, pattern computation, and interdisciplinary studies. It is easy to see what limits our current paradigms place on our thinking about technologies that will allow us to understand the laws governing very large systems about which we have large datasets. Three limiting paradigms are saving all the bits collected by instruments or generated by supercomputers; obtaining technology for information compression, storage and retrieval off the shelf; and the linear mode of innovation. We must extend these paradigms to meet our goals for information technology at the end of the decade.

Denning, Peter J.↗

NASA NTRS1991

Visual analysis of fluid dynamics at NASA's numerical aerodynamic simulation facility

A study aimed at describing and illustrating visualization tools used in Computational Fluid Dynamics (CFD) and indicating how these tools are likely to change by showing a projected resolution of the human computer interface is presented. The following are outlined using a graphically based test format: the revolution of human computer environments for CFD research; comparison of current environments; current environments with the ideal; predictions for the future CFD environments; what can be done to accelerate the improvements. The following comments are given: when acquiring visualization tools, potential rapid changes must be considered; environmental changes over the next ten years due to human computer interface cannot be fathomed; data flow packages such as AVS, apE, Explorer and Data Explorer are easy to learn and use for small problems, excellent for prototyping, but not so efficient for large problems; the approximation techniques used in visualization software must be appropriate for the data; it has become more cost effective to move jobs that fit on workstations and run only memory intensive jobs on the supercomputer; use of three dimensional skills will be maximized when the three dimensional environment is built in from the start.

Watson, Velvin R.↗

NASA NTRS1992

The design and implementation of a parallel unstructured Euler solver using software primitives

This paper is concerned with the implementation of a three-dimensional unstructured grid Euler-solver on massively parallel distributed-memory computer architectures. The goal is to minimize solution time by achieving high computational rates with a numerically efficient algorithm. An unstructured multigrid algorithm with an edge-based data structure has been adopted, and a number of optimizations have been devised and implemented in order to accelerate the parallel communication rates. The implementation is carried out by creating a set of software tools, which provide an interface between the parallelization issues and the sequential code, while providing a basis for future automatic run-time compilation support. Large practical unstructured grid problems are solved on the Intel iPSC/860 hypercube and Intel Touchstone Delta machine. The quantitative effect of the various optimizations are demonstrated, and we show that the combined effect of these optimizations leads to roughly a factor of three performance improvement. The overall solution efficiency is compared with that obtained on the CRAY-YMP vector supercomputer.

Das, R.↗

NASA NTRS1991

Application of technology developed for flight simulation at NASA. Langley Research Center

In order to meet the stringent time-critical requirements for real-time man-in-the-loop flight simulation, computer processing operations including mathematical model computation and data input/output to the simulators must be deterministic and be completed in as short a time as possible. Personnel at NASA's Langley Research Center are currently developing the use of supercomputers for simulation mathematical model computation for real-time simulation. This, coupled with the use of an open systems software architecture, will advance the state-of-the-art in real-time flight simulation.

Cleveland, Jeff I., II↗

NASA NTRS1990

A parallel-vector algorithm for rapid structural analysis on high-performance computers

A fast, accurate Choleski method for the solution of symmetric systems of linear equations is presented. This direct method is based on a variable-band storage scheme and takes advantage of column heights to reduce the number of operations in the Choleski factorization. The method employs parallel computation in the outermost DO-loop and vector computation via the loop unrolling technique in the innermost DO-loop. The method avoids computations with zeros outside the column heights, and as an option, zeros inside the band. The close relationship between Choleski and Gauss elimination methods is examined. The minor changes required to convert the Choleski code to a Gauss code to solve non-positive-definite symmetric systems of equations are identified. The results for two large scale structural analyses performed on supercomputers, demonstrate the accuracy and speed of the method.

Storaasli, Olaf O.↗

NASA NTRS1992

GRAPEVINE: Grids about anything by Poisson's equation in a visually interactive networking environment

A proven 3-D multiple-block elliptic grid generator, designed to run in 'batch mode' on a supercomputer, is improved by the creation of a modern graphical user interface (GUI) running on a workstation. The two parts are connected in real time by a network. The resultant system offers a significant speedup in the process of preparing and formatting input data and the ability to watch the grid solution converge by replotting the grid at each iteration step. The result is a reduction in user time and CPU time required to generate the grid and an enhanced understanding of the elliptic solution process. This software system, called GRAPEVINE, is described, and certain observations are made concerning the creation of such software.

Sorenson, Reese L.↗

NASA NTRS1991

Report of the theory panel

The ultimate goal of this research is to develop an understanding which is sufficiently comprehensive to allow realistic predictions of the behavior of the physical systems. Theory has a central role to play in the quest for this understanding. The level of theoretical description is dependent on three constraints: (1) the available computer hardware may limit both the number and the size of physical processes the model system can describe; (2) the fact that some natural systems may only be described in a statistical manner; and (3) the fact that some natural systems may be observable only through remote sensing which is intrinsically limited by spatial resolution and line of sight integration. From this the report discusses present accomplishments and future goals of theoretical space physics. Finally, the development and use of new supercomputer is examined.

Ashourabdalla, Maha↗

NASA NTRS1992

Functional requirements document for the Earth Observing System Data and Information System (EOSDIS) Scientific Computing Facilities (SCF) of the NASA/MSFC Earth Science and Applications Division, 1992

Five scientists at MSFC/ESAD have EOS SCF investigator status. Each SCF has unique tasks which require the establishment of a computing facility dedicated to accomplishing those tasks. A SCF Working Group was established at ESAD with the charter of defining the computing requirements of the individual SCFs and recommending options for meeting these requirements. The primary goal of the working group was to determine which computing needs can be satisfied using either shared resources or separate but compatible resources, and which needs require unique individual resources. The requirements investigated included CPU-intensive vector and scalar processing, visualization, data storage, connectivity, and I/O peripherals. A review of computer industry directions and a market survey of computing hardware provided information regarding important industry standards and candidate computing platforms. It was determined that the total SCF computing requirements might be most effectively met using a hierarchy consisting of shared and individual resources. This hierarchy is composed of five major system types: (1) a supercomputer class vector processor; (2) a high-end scalar multiprocessor workstation; (3) a file server; (4) a few medium- to high-end visualization workstations; and (5) several low- to medium-range personal graphics workstations. Specific recommendations for meeting the needs of each of these types are presented.

Botts, Michael E.↗

NASA NTRS1990

NAS (Numerical Aerodynamic Simulation Program) technical summaries, March 1989 - February 1990

Given here are selected scientific results from the Numerical Aerodynamic Simulation (NAS) Program's third year of operation. During this year, the scientific community was given access to a Cray-2 and a Cray Y-MP supercomputer. Topics covered include flow field analysis of fighter wing configurations, large-scale ocean modeling, the Space Shuttle flow field, advanced computational fluid dynamics (CFD) codes for rotary-wing airloads and performance prediction, turbulence modeling of separated flows, airloads and acoustics of rotorcraft, vortex-induced nonlinearities on submarines, and standing oblique detonation waves.

Source record↗

NASA NTRS1991

Numerical simulations of space processing - The reality, the myth, and the future

The present capabilities offered by the combination of advanced special and general purpose numerical codes and supercomputers are discussed. Emphasis is placed on unique demands placed by the space environment on the computation of realistic space experiments and recommendations for improving the scientific return on the space investment. It is concluded that numerical simulations can provide timely and relevant answers which can guide and improve future space experiments.

Chait, A.↗

NASA NTRS1992

Approaches to ionospheric modelling, simulation and prediction

The ionosphere is a complex, multispecies, anisotropic medium that exhibits a significant variation with time, space, season, solar cycle, and geomagnetic activity. In recent years, a wide range of models have been developed in an effort to describe ionospheric behavior. The modeling efforts include: (1) empirical models based on extensive worldwide data sets; (2) simple analytical models for a restricted number of ionospheric parameters; (3) comprehensive, 3D, time-dependent models that require supercomputers; (4) spherical harmonic models based on fits to output obtained from comprehensive numerical models; and (5) ionospheric models driven by real-time magnetospheric inputs. In an effort to achieve simplicity, some of the models have been restricted to certain altitude or latitude domains, while others have been restricted to certain ionospheric parameters, such as the F-region peak density, the auroral conductivity, and the plasma temperatures. The current status of the modeling efforts is reviewed.

Schunk, R. W.↗

NASA NTRS1992

A self-consistent field method for galactic dynamics

The present study describes an algorithm for evolving collisionless stellar systems in order to investigate the evolution of systems with density profiles like the R exp 1/4 law, using only a few terms in the expansions. A good fit is obtained for a truncated isothermal distribution, which renders the method appropriate for galaxies with flat rotation curves. Calculations employing N of about 10 exp 6-7 are straightforward on existing supercomputers, making possible simulations having significantly smoother fields than with direct methods such as tree-codes. Orbits are found in a given static or time-dependent gravitational field; the potential, phi(r, t) is revised from the resultant density, rho(r, t). Possible scientific uses of this technique are discussed, including tidal perturbations of dwarf galaxies, the adiabatic growth of central masses in spheroidal galaxies, instabilities in realistic galaxy models, and secular processes in galactic evolution.

Hernquist, Lars↗