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At least 1,351 records · Page 75

Molecular arrangements and conformations of liquid n-tridecane chains confined between two hard walls

Monte Carlo simulations based on united CH2 atoms linked with fixed bond lengths and angles, and continuously varying torsional angles subject to appropriate interaction energies, were used to study liquid n-tridecane chains confined between two parallel hard walls with 5 mm separation. The molecules located in the central region are noted to be in very close agreement with ideal unperturbed chains. Nearly all the chain units in the first segmental layer adjacent to the walls belong to two-dimensional chains, and exhibit considerable orientational correlations between neighboring segments of different chains.

Vacatello, Michele↗

Application of CFD codes for the simulation of scramjet combustor flowfields

An overview of CFD activities in the Hypersonic Propulsion Branch is given. Elliptic and PNS codes that are being used for the simulation of hydrogen-air combusting flowfields for scramjet applications are discussed. Results of the computer codes are shown in comparison with those of the experiments where applicable. Two classes of experiments will be presented: parallel injection of hydrogen into vitiated supersonic air flow; and normal injection of hydrogen into supersonic crossflow of vitiated air.

Chitsomboom, Tawit↗

Lunar rovers and local positioning system

Telerobotic rovers equipped with adequate actuators and sensors are clearly necessary for extraterrestrial construction. They will be employed as substitutes for humans, to perform jobs like surveying, sensing, signaling, manipulating, and the handling of small materials. Important design criteria for these rovers include versatility and robustness. They must be easily programmed and reprogrammed to perform a wide variety of different functions, and they must be robust so that construction work will not be jeopardized by parts failures. The key qualities and functions necessary for these rovers to achieve the required versatility and robustness are modularity, redundancy, and coordination. Three robotic rovers are being built by CSC as a test bed to implement the concepts of modularity and coordination. The specific goal of the design and construction of these robots is to demonstrate the software modularity and multirobot control algorithms required for the physical manipulation of constructible elements. Each rover consists of a transporter platform, bus manager, simple manipulator, and positioning receivers. These robots will be controlled from a central control console via a radio-frequency local area network (LAN). To date, one prototype transporter platform frame was built with batteries, motors, a prototype single-motor controller, and two prototype internal LAN boards. Software modules were developed in C language for monitor functions, i/o, and parallel port usage in each computer board. Also completed are the fabrication of half of the required number of computer boards, the procurement of 19.2 Kbaud RF modems for inter-robot communications, and the simulation of processing requirements for positioning receivers. In addition to the robotic platform, the fabrication of a local positioning system based on infrared signals is nearly completed. This positioning system will make the rovers into a moving reference system capable of performing site surveys. In addition, a four degree mechanical manipulator especially suited for coordinated teleoperation was conceptually designed and is currently being analyzed. This manipulator will be integrated into the rovers as their end effector. Twenty internal LAN cards fabricated by a commercial firm are being used, a prototype manipulator and a range finder for a positioning system were built, a prototype two-motor controller was designed, and one of the robots is performing its first telerobotic motion. In addition, the robots' internal LAN's were coordinated and tested, hardware design upgrades based on fabrication and fit experience were completed, and the positioning system is running. The rover system is able to perform simple tasks such as sensing and signaling; coordination systems which allow construction tasks to begin were established, and soon coordinated teams of robots in the laboratory will be able to manipulate common objects.

Avery, James↗

Computational methods and software systems for dynamics and control of large space structures

This final report on computational methods and software systems for dynamics and control of large space structures covers progress to date, projected developments in the final months of the grant, and conclusions. Pertinent reports and papers that have not appeared in scientific journals (or have not yet appeared in final form) are enclosed. The grant has supported research in two key areas of crucial importance to the computer-based simulation of large space structure. The first area involves multibody dynamics (MBD) of flexible space structures, with applications directed to deployment, construction, and maneuvering. The second area deals with advanced software systems, with emphasis on parallel processing. The latest research thrust in the second area, as reported here, involves massively parallel computers.

Park, K. C.↗

Performance Measurement, Visualization and Modeling of Parallel and Distributed Programs

This paper presents a methodology for debugging the performance of message-passing programs on both tightly coupled and loosely coupled distributed-memory machines. The AIMS (Automated Instrumentation and Monitoring System) toolkit, a suite of software tools for measurement and analysis of performance, is introduced and its application illustrated using several benchmark programs drawn from the field of computational fluid dynamics. AIMS includes (i) Xinstrument, a powerful source-code instrumentor, which supports both Fortran77 and C as well as a number of different message-passing libraries including Intel's NX Thinking Machines' CMMD, and PVM; (ii) Monitor, a library of timestamping and trace -collection routines that run on supercomputers (such as Intel's iPSC/860, Delta, and Paragon and Thinking Machines' CM5) as well as on networks of workstations (including Convex Cluster and SparcStations connected by a LAN); (iii) Visualization Kernel, a trace-animation facility that supports source-code clickback, simultaneous visualization of computation and communication patterns, as well as analysis of data movements; (iv) Statistics Kernel, an advanced profiling facility, that associates a variety of performance data with various syntactic components of a parallel program; (v) Index Kernel, a diagnostic tool that helps pinpoint performance bottlenecks through the use of abstract indices; (vi) Modeling Kernel, a facility for automated modeling of message-passing programs that supports both simulation -based and analytical approaches to performance prediction and scalability analysis; (vii) Intrusion Compensator, a utility for recovering true performance from observed performance by removing the overheads of monitoring and their effects on the communication pattern of the program; and (viii) Compatibility Tools, that convert AIMS-generated traces into formats used by other performance-visualization tools, such as ParaGraph, Pablo, and certain AVS/Explorer modules.

Yan, Jerry C.↗

Dissipation in Relativistic Pair-Plasma Reconnection

We present an investigation of the relativistic dissipation in magnetic reconnection. The investigated system consists of an electron-positron plasma. A relativistic generalization of Ohm's law is derived. We analyze a set of numerical simulations, composed of runs with and without guide magnetic field, and of runs with different species temperatures. The calculations indicate that the thermal inertia-based dissipation process survives in relativistic plasmas. For anti-parallel reconnection, it is found that the pressure tensor divergence remains the sole contributor to the reconnection electric field, whereas relativistic guide field reconnection exhibits a similarly important role of the bulk inertia terms.

Hesse, Michael↗

Software Testing and Verification in Climate Model Development

Over the past 30 years most climate models have grown from relatively simple representations of a few atmospheric processes to a complex multi-disciplinary system. Computer infrastructure over that period has gone from punch card mainframes to modem parallel clusters. Model implementations have become complex, brittle, and increasingly difficult to extend and maintain. Existing verification processes for model implementations rely almost exclusively upon some combination of detailed analysis of output from full climate simulations and system-level regression tests. In additional to being quite costly in terms of developer time and computing resources, these testing methodologies are limited in terms of the types of defects that can be detected, isolated and diagnosed. Mitigating these weaknesses of coarse-grained testing with finer-grained "unit" tests has been perceived as cumbersome and counter-productive. In the commercial software sector, recent advances in tools and methodology have led to a renaissance for systematic fine-grained testing. We discuss the availability of analogous tools for scientific software and examine benefits that similar testing methodologies could bring to climate modeling software. We describe the unique challenges faced when testing complex numerical algorithms and suggest techniques to minimize and/or eliminate the difficulties.

Clune, Thomas L.↗

Three-dimensional aspects of radiative transfer in remote sensing of precipitation: Application to the 1986 COHMEX storm

Several multifrequency techniques for passive microwave estimation of precipitation based on the absorption and scattering properties of hydrometers have been proposed in the literature. In the present study, plane-parallel limitations are overcome by using a model based on the discrete-ordinates method to solve the radiative transfer equation in three-dimensional rectangular domains. This effectively accounts for the complexity and variety of radiation problems encountered in the atmosphere. This investigation presents result for plane-parallel and three-dimensional radiative transfer for a precipitating system, discusses differences between these results, and suggests possible explanations for these differences. Microphysical properties were obtained from the Colorado State University Regional Atmospehric Modeling System and represent a hailstorm observed during the 1986 Cooperative Huntsville Meteorological Experiment. These properties are used as input to a three-dimensional radiative transfer model in order to simulate satellite observation of the storm. The model output consists of upwelling brightness temperatures at several of the frequencies on the Special Sensor Microwave/Imager. The radiative transfer model accounts for scattering and emission of atmospheric gases and hydrometers in liquid and ice phases. Brightness temperatures obtained from the three-dimensional model of this investigation indicate that horizontal inhomogeneities give rise to brightness temperature fields that can be quite different from fields obtained using plane-parallel radiative transfer theory. These differences are examined for various resolutions of the satellite sensor field of view. In adddition, the issue of boundary conditions for three-dimensional atmospheric radiative transfer is addressed.

Haferman, J. L.↗

Folding and translocation of the undecamer of poly-L-leucine across the water-hexane interface. A molecular dynamics study

The undecamer of poly-L-leucine at the water-hexane interface is studied by molecular dynamics simulations. This represents a simple model relevant to folding and insertion of hydrophobic peptides into membranes. The peptide, initially placed in a random coil conformation on the aqueous side of the system, rapidly translocates toward the hexane phase and undergoes interfacial folding into an alpha-helix in the subsequent 36 ns. Folding is nonsequential and highly dynamic. The initially formed helical segment at the N-terminus of the undecamer becomes transiently broken and, subsequently, reforms before the remainder of the peptide folds from the C-terminus. The formation of intramolecular hydrogen bonds during the folding of the peptide is preceded by a dehydration of the participating polar groups, as they become immersed in hexane. Folding proceeds through a short-lived intermediate, a 3(10)-helix, which rapidly interconverts to an alpha-helix. Both helices contribute to the equilibrium ensemble of folded structures. The helical peptide is largely buried in hexane, yet remains adsorbed at the interface. Its preferred orientation is parallel to the interface, although the perpendicular arrangement with the N-terminus immersed in hexane is only slightly less favorable. In contrast, the reversed orientation is highly unfavorable, because it would require dehydration of C-terminus carbonyl groups that do not participate in intramolecular hydrogen bonding. For the same reason, the transfer of the undecamer from the interface to the bulk hexane is also unfavorable. The results suggest that hydrophobic peptides fold in the interfacial region and, simultaneously, translocate into the nonpolar side of the interface. It is further implied that peptide insertion into the membrane is accomplished by rotating from the parallel to the perpendicular orientation, most likely in such a way that the N-terminus penetrates the bilayer.

NASA Discipline Exobiology↗

Impact of Magnetic Draping, Convection, and Field Line Tying on Magnetopause Reconnection Under Northward IMF

We simulate a northward IMF cusp reconnection event at the magnetopause using the OpenGGCM resistive MHD code. The ACE input data, solar wind parameters, and dipole tilt belong to a 2002 reconnection event observed by IMAGE and Cluster. Based on a fully three-dimensional skeleton separators, nulls, and parallel electric fields, we show magnetic draping, convection, ionospheric field line tying play a role in producing a series of locally reconnecting nulls with flux ropes. The flux ropes in the cusp along the global separator line of symmetry. In 2D projection, the flux ropes the appearance of a tearing mode with a series of 'x's' and 'o's' but bearing a kind of 'guide field' that exists only within the magnetopause. The reconnecting field lines in the string of ropes involve IMF and both open and closed Earth magnetic field lines. The observed magnetic geometry reproduces the findings of a superposed epoch impact parameter study derived from the Cluster magnetometer data for the same event. The observed geometry has repercussions for spacecraft observations of cusp reconnection and for the imposed boundary conditions reconnection simulations.

Wendel, Deirdre E.↗

Manufacturing in space: Fluid dynamics numerical analysis

Natural convection in a spherical container with cooling at the center was numerically simulated using the Lockheed-developed General Interpolants Method (GIM) numerical fluid dynamic computer program. The numerical analysis was simplified by assuming axisymmetric flow in the spherical container, with the symmetry axis being a sphere diagonal parallel to the gravity vector. This axisymmetric spherical geometry was intended as an idealization of the proposed Lal/Kroes growing experiments to be performed on board Spacelab. Results were obtained for a range of Rayleigh numbers from 25 to 10,000. For a temperature difference of 10 C from the cooling sting at the center to the container surface, and a gravitional loading of 0.000001 g a computed maximum fluid velocity of about 2.4 x 0.00001 cm/sec was reached after about 250 sec. The computed velocities were found to be approximately proportional to the Rayleigh number over the range of Rayleigh numbers investigated.

Robertson, S. J.↗

A source of the backstreaming ion beams in the foreshock region

The proposed source mechanism for the 'reflected' ion beams observed in the bow shock region's foreshock places the origin of the beams in the magnetosheath, downstream of the quasi-perpendicular shock portion whose transition is characterized by the downstream ion populations. Particle simulations indicate that highly anisotropic downstream ion distributions can excite electromagnetic ion cyclotron waves which, in turn, pitch angle-scatter the gyrating ions in a few ion gyroperiods. As a result, some ions acquire large parallel velocities and move fast enough along the convecting downstream magnetic field to escape back across the bow shock into the upstream region. The results presented are in general agreement with ISEE reflected ion observations.

Tanaka, M.↗

Compressibility effects in turbulence modeling

Numerical turbulence modeling is discussed with attention given to fluid property variations caused by compressibility in an adiabatic flow. The models are considered in terms of integral quantities expressed by ordinary differential equations and by those formulated as partial differential equations. Compressibility corrections for both integral and partial differential methods are reviewed. Eddy-viscosity models are explored for their capability to characterize the mass-weighted Reynolds stress, which can be accounted for with primitive and/or mass-weighted variables. Compressible flow simulations are currently constrained to low Re and zero mean dilation. The effects of compressibility are defined in wave number space by resolving the Fourier transforms of the velocity vectors into components which are perpendicular and parallel to the wave number vector. Statistical correlations then permit obtaining a value for each contribution.

Rubesin, M. W.↗

Queueing Network Models for Parallel Processing of Task Systems: an Operational Approach

Computer performance modeling of possibly complex computations running on highly concurrent systems is considered. Earlier works in this area either dealt with a very simple program structure or resulted in methods with exponential complexity. An efficient procedure is developed to compute the performance measures for series-parallel-reducible task systems using queueing network models. The procedure is based on the concept of hierarchical decomposition and a new operational approach. Numerical results for three test cases are presented and compared to those of simulations.

Mak, Victor W. K.↗

Time accurate simulations of compressible shear flows

The objectives of this research are to employ direct numerical simulation (DNS) to study the phenomenon of mixing (or lack thereof) in compressible free shear flows and to suggest new means of enhancing mixing in such flows. The shear flow configurations under investigation are those of parallel mixing layers and planar jets under both non-reacting and reacting nonpremixed conditions. During the three-years of this research program, several important issues regarding mixing and chemical reactions in compressible shear flows were investigated.

Givi, Peyman↗

Alfven wave transport effects in the time evolution of parallel cosmic-ray-modified shocks

This paper presents a numerical study of the time evolution of plane, cosmic-ray modified shocks with magnetic field parallel to the shock normal, based on the diffusive shock acceleration formalism and including the effects from the finite propagation speed and energy of Alfven waves responsible for controlling the transport of the cosmic rays. The simulations discussed are based on a three-fluid model for the dynamics, but a more complete formalism is laid out for future work. The results of the simulations confirm earlier steady state analyses that found these Alfven transport effects to be potentially important when the upstream Alfven speed and the gas sound speed are comparable, i.e., when the plasma and magnetic pressures are similar. It is also clear, however, that the impact of Alfven transport effects, which tend to slow shock evolution and reduce the time asymptotic cosmic-ray pressure in the shock, is strongly dependent upon uncertain details in the transport models. Both cosmic-ray advection tied to streaming Alfven waves and dissipation of wave energy are important to include in the models. Further, Alfven transport properties on both sides of the shock are also influential.

Jones, T. W.↗

Approximate optimal guidance for the advanced launch system

A real-time guidance scheme for the problem of maximizing the payload into orbit subject to the equations of motion for a rocket over a spherical, non-rotating earth is presented. An approximate optimal launch guidance law is developed based upon an asymptotic expansion of the Hamilton - Jacobi - Bellman or dynamic programming equation. The expansion is performed in terms of a small parameter, which is used to separate the dynamics of the problem into primary and perturbation dynamics. For the zeroth-order problem the small parameter is set to zero and a closed-form solution to the zeroth-order expansion term of Hamilton - Jacobi - Bellman equation is obtained. Higher-order terms of the expansion include the effects of the neglected perturbation dynamics. These higher-order terms are determined from the solution of first-order linear partial differential equations requiring only the evaluation of quadratures. This technique is preferred as a real-time, on-line guidance scheme to alternative numerical iterative optimization schemes because of the unreliable convergence properties of these iterative guidance schemes and because the quadratures needed for the approximate optimal guidance law can be performed rapidly and by parallel processing. Even if the approximate solution is not nearly optimal, when using this technique the zeroth-order solution always provides a path which satisfies the terminal constraints. Results for two-degree-of-freedom simulations are presented for the simplified problem of flight in the equatorial plane and compared to the guidance scheme generated by the shooting method which is an iterative second-order technique.

Feeley, T. S.↗