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Parallel Grand-Canonical Monte Carlo (ParaGrandMC) User’s Manual Version 2.0

This manual describes the commands and command line options for the Parallel Grand Canonical Monte Carlo version 2.0 (ParaGrandMC.2.0) simulation code. This is a highly scalable parallel FORTRAN 2003 code for simulating the thermodynamic evolution of materials at the atomic level, and predicting their thermodynamic state, phase diagram, chemical composition and mechanical properties. The code is specifically designed to simulate multi-component alloy systems, predict solid-state phase transformations such as austenite-martensite transformations, precipitate formation, recrystallization, capillary effects at interfaces, surface absorption, etc., which can aid the design of novel metallic alloys. While the software is mainly tailored for modeling metal alloys, it can also be used for other types of solid-state systems, and to some degree for liquid or gaseous systems, including multiphase systems forming solid-liquid-gas interfaces. In addition to performing Monte Carlo (MC) simulations, the code can also perform Molecular Dynamics (MD) and Langevin Dynamics (LD) simulations, which can be combined and interchanged with MC for faster and more efficient system evolution. A detailed description of the MC part of the code is provided in the NASA ParaGrandMC report: NASA/CR–2016-219202; http://www.sti.nasa.gov.

High performance computing

An assessment of multibody simulation tools for articulated spacecraft

A survey of multibody simulation codes was conducted in the spring of 1988, to obtain an assessment of the state of the art in multibody simulation codes from the users of the codes. This survey covers the most often used articulated multibody simulation codes in the spacecraft and robotics community. There was no attempt to perform a complete survey of all available multibody codes in all disciplines. Furthermore, this is not an exhaustive evaluation of even robotics and spacecraft multibody simulation codes, as the survey was designed to capture feedback on issues most important to the users of simulation codes. We must keep in mind that the information received was limited and the technical background of the respondents varied greatly. Therefore, only the most often cited observations from the questionnaire are reported here. In this survey, it was found that no one code had both many users (reports) and no limitations. The first section is a report on multibody code applications. Following applications is a discussion of execution time, which is the most troublesome issue for flexible multibody codes. The representation of component flexible bodies, which affects both simulation setup time as well as execution time, is presented next. Following component data preparation, two sections address the accessibility or usability of a code, evaluated by considering its user interface design and examining the overall simulation integrated environment. A summary of user efforts at code verification is reported, before a tabular summary of the questionnaire responses. Finally, some conclusions are drawn.

Man, Guy K.

Characterization of Surface Reflectance Variation Effects on Remote Sensing

The use of Monte Carlo radiative transfer codes to simulate the effects on remote sensing in visible and infrared wavelengths of variables which affect classification is examined. These variables include detector viewing angle, atmospheric aerosol size distribution, aerosol vertical and horizontal distribution (e.g., finite clouds), the form of the bidirectional ground reflectance function, and horizontal variability of reflectance type and reflectivity (albedo). These simulations are used to characterize the sensitivity of observables (intensity and polarization) to variations in the underlying physical parameters both to improve algorithms for the removal of atmospheric effects and to identify techniques which can improve classification accuracy. It was necessary to revise and validate the simulation codes (CTRANS, ARTRAN, and the Mie scattering code) to improve efficiency and accommodate a new operational environment, and to build the basic software tools for acquisition and off-line manipulation of simulation results. Initial calculations compare cases in which increasing amounts of aerosol are shifted into the stratosphere, maintaining a constant optical depth. In the case of moderate aerosol optical depth, the effect on the spread function is to scale it linearly as would be expected from a single scattering model. Varying the viewing angle appears to provide the same qualitative effect as modifying the vertical optical depth (for Lambertian ground reflectance).

Pearce, W. A.

Design considerations for optimizing the transient CHI injector on QUEST

Transient coaxial helicity injection (transient CHI) on the QUEST (Q-shu University Experiment with Steady-State ST) spherical tokamak (ST) has recently validated the floating biased electrode configuration for solenoid-free plasma startup. In support of a significant divertor upgrade on QUEST, the details of the transient CHI injector geometry on QUEST have been examined more closely using tokamak simulation code (TSC) simulations. QUEST uses a HIT-II-like (Helicity Injected Torus) injector configuration in which the injector region is comprised of coaxial injector electrodes located in the lower part of the machine. TSC simulations indicate high injector flux operation may benefit from an increased gap between the coaxial electrodes. This is the first study to examine the differences between an open and closed electrode configuration for solenoid-free plasma startup using transient CHI. Results show that both configurations can generate similar levels of closed flux, but the closed configuration may be easier to implement in some ST designs as a much smaller portion of the injector needs to be close to the injector flux coil. Results show that increasing the electrode gap width from the present 10.8 cm to about 15–20 cm would increase the closed flux fraction by about 40%. The results presented in this paper are generally applicable to the CHI design for other STs.

coaxial helicity injection

Numerical simulations of positively-biased probes and dielectric-conductor disks in a plasma

Plasma densities in the low-earth orbit range may be sufficient to cause difficulties for spacecraft operating at high voltages in this environment. The present investigation is concerned with the results of a continuing effort to develop a particle-in-cell (PIC), cylindrically-symmetric, 2-1/2 dimensional, self-consistent numerical simulation code. The simulation has the objective to explore the interactions of an ambient plasma with a conducting disk, which may be partially covered by a dielectric material. The disk and the surrounding dielectric material represent a hole in an insulator covering a conductor. Attention is given to a review of the simulation model, plain disk calculations, the disk and dielectric configuration, and the 'pinhole' effect.

Brandon, S. T.

Space plasma simulations; Proceedings of the Second International School for Space Simulations, Kapaa, HI, February 4-15, 1985. Parts 1 & 2

Space plasma simulations, observations, and theories are discussed. Papers are presented on the capabilities of various types of simulation codes and simulation models. Consideration is given to plasma waves in the earth's magnetotail, outer planet magnetosphere, geospace, and the auroral and polar cap regions. Topics discussed include space plasma turbulent dissipation, the kinetics of plasma waves, wave-particle interactions, whistler mode propagation, global energy regulation, and auroral arc formation.

Ashour-Abdalla, M.

Using a simulation assistant in modeling manufacturing systems

Numerous simulation languages exist for modeling discrete event processes, and are now ported to microcomputers. Graphic and animation capabilities were added to many of these languages to assist the users build models and evaluate the simulation results. With all these languages and added features, the user is still plagued with learning the simulation language. Futhermore, the time to construct and then to validate the simulation model is always greater than originally anticipated. One approach to minimize the time requirement is to use pre-defined macros that describe various common processes or operations in a system. The development of a simulation assistant for modeling discrete event manufacturing processes is presented. A simulation assistant is defined as an interactive intelligent software tool that assists the modeler in writing a simulation program by translating the modeler's symbolic description of the problem and then automatically generating the corresponding simulation code. The simulation assistant is discussed with emphasis on an overview of the simulation assistant, the elements of the assistant, and the five manufacturing simulation generators. A typical manufacturing system will be modeled using the simulation assistant and the advantages and disadvantages discussed.

Schroer, Bernard J.

Global simulation of the solar wind-magnetosphere interaction - The importance of its numerical validity

This paper examines the global interaction of the solar wind with the geomagnetic field, using a newly developed three-dimensional high-precision MHD simulation code which employs the fourth-order Runge-Kutta-Gill scheme in time and the direct finite-difference method in space, and which allows much less numerical error than the conventional code. The simulation reveals in detail the formation processes of the magnetosphere and the bow shock, as well as the plasma sheet formation process. It is shown that, contrary to the conventional understanding, no Kelvin-Helmholtz instability occurs along the magnetopause in an ideal MHD.

Watanabe, K.

High-Order Simulation of Induced Disturbance in a Mach 6 Boundary Layer

Simulations of the early evolution of induced unstable disturbances in a Mach 6 hypersonic boundary layer are presented for the purposes of validating a high-order discontinuous Galerkin Navier-Stokes simulation code. The simulations are modeled after experiments performed in the Boeing/AFOSR Mach-6 Quiet Tunnel at Purdue University. In these experiments, a forcing mechanism was employed to induce reproducible disturbances in a hypersonic boundary layer providing for the controlled study of the growth and breakdown of these disturbances into turbulent spots. Simulations revealed that the form and strength of the excitation can greatly influence the growth of the disturbance. In particular, at large forcing amplitude, the simulated forcing produces large advecting transients that appear to enhance the growth of the wave packet, relative to that of low amplitude forcing. Simulation results with large amplitude forcing agree well with experimental results while results from low amplitude forcing agree with linear stability theory.

Atkins, Harold L.

A Hybrid Parachute Simulation Environment for the Orion Parachute Development Project

A parachute simulation environment (PSE) has been developed that aims to take advantage of legacy parachute simulation codes and modern object-oriented programming techniques. This hybrid simulation environment provides the parachute analyst with a natural and intuitive way to construct simulation tasks while preserving the pedigree and authority of established parachute simulations. NASA currently employs four simulation tools for developing and analyzing air-drop tests performed by the CEV Parachute Assembly System (CPAS) Project. These tools were developed at different times, in different languages, and with different capabilities in mind. As a result, each tool has a distinct interface and set of inputs and outputs. However, regardless of the simulation code that is most appropriate for the type of test, engineers typically perform similar tasks for each drop test such as prediction of loads, assessment of altitude, and sequencing of disreefs or cut-aways. An object-oriented approach to simulation configuration allows the analyst to choose models of real physical test articles (parachutes, vehicles, etc.) and sequence them to achieve the desired test conditions. Once configured, these objects are translated into traditional input lists and processed by the legacy simulation codes. This approach minimizes the number of sim inputs that the engineer must track while configuring an input file. An object oriented approach to simulation output allows a common set of post-processing functions to perform routine tasks such as plotting and timeline generation with minimal sensitivity to the simulation that generated the data. Flight test data may also be translated into the common output class to simplify test reconstruction and analysis.

Moore, James W.

Relative efficiency and accuracy of two Navier-Stokes codes for simulating attached transonic flow over wings

Two codes which solve the 3-D Thin Layer Navier-Stokes (TLNS) equations are used to compute the steady state flow for two test cases representing typical finite wings at transonic conditions. Several grids of C-O topology and varying point densities are used to determine the effects of grid refinement. After a description of each code and test case, standards for determining code efficiency and accuracy are defined and applied to determine the relative performance of the two codes in predicting turbulent transonic wing flows. Comparisons of computed surface pressure distributions with experimental data are made.

Bonhaus, Daryl L.

A new numerical code for simulating current-driven instabilities on auroral field lines

A new code is described with open boundary conditions for simulating electrostatic instabilities driven by field-aligned currents in narrow channels whose widths are smaller than the plasma skin depth. The reflection of Alfven waves at regions containing plasma waves coupling the electron and ion motion is found to cause a reduction of the field-aligned current and limits it to a critical value which is marginal for the excitation of electrostatic ion-cyclotron waves at a height of 1-2 R(e). Electron heating due to current-driven plasma turbulence causes the overall plasma density in the system to decrease. The plasma density in the region of upward current is enhanced relative to that in the region of downward current, and the current density in upward-directed current channels can be larger than in downward-directed ones.

Goertz, C. K.

Relative efficiency and accuracy of two Navier-Stokes codes for simulating attached transonic flow over wings

In the present study, two codes which solve the three-dimensional Thin-Layer Navier-Stokes (TLNS) equations are used to compute the steady-state flow for two test cases representing typical finite wings at transonic conditions. Several grids of C-O topology and varying point densities are used. After a description of each code and test case, standards for determining code efficiency and accuracy are defined and applied to determine the relative performance of the two codes in predicting turbulent transonic wing flows. Comparisons of computed surface pressure distributions with experimental data are made.

Bonhaus, Daryl L.

Use, Assessment, and Improvement of the Loci-CHEM CFD Code for Simulation of Combustion in a Single Element GO2/GH2 Injector and Chamber

This document is a viewgraph presentation of a paper that documents a continuing effort at Marshall Space Flight Center (MSFC) to use, assess, and continually improve CFD codes to the point of material utility in the design of rocket engine combustion devices. This paper describes how the code is presently being used to simulate combustion in a single element combustion chamber with shear coaxial injectors using gaseous oxygen and gaseous hydrogen propellants. The ultimate purpose of the efforts documented is to assess and further improve the Loci-CHEM code and the implementation of it. Single element shear coaxial injectors were tested as part of the Staged Combustion Injector Technology (SCIT) program, where detailed chamber wall heat fluxes were measured. Data was taken over a range of chamber pressures for propellants injected at both ambient and elevated temperatures. Several test cases are simulated as part of the effort to demonstrate use of the Loci-CHEM CFD code and to enable us to make improvements in the code as needed. The simulations presented also include a grid independence study on hybrid grids. Several two-equation eddy viscosity low Reynolds number turbulence models are also evaluated as part of the study. All calculations are presented with a comparison to the experimental data. Weaknesses of the code relative to test data are discussed and continuing efforts to improve the code are presented.

Westra, Douglas G.

Matrix-based Parallel Redistribution

MatRed is a parallel redistribution tool for HPC applications. It provides a simple approach that only requires a few relation matrices between entities to build redistribution matrices in parallel simulation codes. In particular, MatRed is well-suited for simulation codes based on finite element/volume methods.

Kalchev, DelyanZ [Lawrence Livermore National Labo

An evaluation of computer codes for simulating the Galileo Probe aerothermal entry environment

The approaches of three computer flow field codes (HYVIS, COLTS, and RASLE), used to determine the Galileo Probe aerothermal environment and its effect on the design of the thermal protection system, are analyzed in order to resolve differences in their predicted results. All three codes account for the hypersonic, massively blown, radiation shock layers, characteristic of Jupiter entry. Significant differences, however, are evident in their solution procedures: the governing conservation equations, the numerical differencing methods, the governing physics (chemical, radiation, diffusion, and turbulence models), and the basic physical data (thermodynamic, transport, chemical, and spectral properties for atomic and molecular species). Solutions are compared for two near peak heating entry conditions for a Galileo Probe baseline configuration, having an initial mass of 242 kg and simulating entry into the Orton nominal atmosphere. The modern numerical methodology of COLTS and RASLE appear to provide an improved capability for coupled flow-field solutions.

Menees, G. P.

Research In Nonlinear Flight Control for Tiltrotor Aircraft Operating in the Terminal Area

The research during the first year of the effort focused on the implementation of the recently developed combination of neural net work adaptive control and feedback linearization. At the core of this research is the comprehensive simulation code Generic Tiltrotor Simulator (GTRS) of the XV-15 tilt rotor aircraft. For this research the GTRS code has been ported to a Fortran environment for use on PC. The emphasis of the research is on terminal area approach procedures, including conversion from aircraft to helicopter configuration. This report focuses on the longitudinal control which is the more challenging case for augmentation. Therefore, an attitude command attitude hold (ACAH) control augmentation is considered which is typically used for the pitch channel during approach procedures. To evaluate the performance of the neural network adaptive control architecture it was necessary to develop a set of low order pilot models capable of performing such tasks as, follow desired altitude profiles, follow desired speed profiles, operate on both sides of powercurve, convert, including flaps as well as mastangle changes, operate with different stability and control augmentation system (SCAS) modes. The pilot models are divided in two sets, one for the backside of the powercurve and one for the frontside. These two sets are linearly blended with speed. The mastangle is also scheduled with speed. Different aspects of the proposed architecture for the neural network (NNW) augmented model inversion were also demonstrated. The demonstration involved implementation of a NNW architecture using linearized models from GTRS, including rotor states, to represent the XV-15 at various operating points. The dynamics used for the model inversion were based on the XV-15 operating at 30 Kts, with residualized rotor dynamics, and not including cross coupling between translational and rotational states. The neural network demonstrated ACAH control under various circumstances. Future efforts will include the implementation into the Fortran environment of GTRS, including pilot modeling and NNW augmentation for the lateral channels. These efforts should lead to the development of architectures that will provide for fully automated approach, using similar strategies.

Calise, A. J.

Visual Computing Environment

The Visual Computing Environment (VCE) is a NASA Lewis Research Center project to develop a framework for intercomponent and multidisciplinary computational simulations. Many current engineering analysis codes simulate various aspects of aircraft engine operation. For example, existing computational fluid dynamics (CFD) codes can model the airflow through individual engine components such as the inlet, compressor, combustor, turbine, or nozzle. Currently, these codes are run in isolation, making intercomponent and complete system simulations very difficult to perform. In addition, management and utilization of these engineering codes for coupled component simulations is a complex, laborious task, requiring substantial experience and effort. To facilitate multicomponent aircraft engine analysis, the CFD Research Corporation (CFDRC) is developing the VCE system. This system, which is part of NASA's Numerical Propulsion Simulation System (NPSS) program, can couple various engineering disciplines, such as CFD, structural analysis, and thermal analysis. The objectives of VCE are to (1) develop a visual computing environment for controlling the execution of individual simulation codes that are running in parallel and are distributed on heterogeneous host machines in a networked environment, (2) develop numerical coupling algorithms for interchanging boundary conditions between codes with arbitrary grid matching and different levels of dimensionality, (3) provide a graphical interface for simulation setup and control, and (4) provide tools for online visualization and plotting. VCE was designed to provide a distributed, object-oriented environment. Mechanisms are provided for creating and manipulating objects, such as grids, boundary conditions, and solution data. This environment includes parallel virtual machine (PVM) for distributed processing. Users can interactively select and couple any set of codes that have been modified to run in a parallel distributed fashion on a cluster of heterogeneous workstations. A scripting facility allows users to dictate the sequence of events that make up the particular simulation.

Lawrence, Charles