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At least 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

Low Mach number parallel and quasi-parallel shocks

The properties of low-Mach-number parallel and quasi-parallel shocks are studied using the results of one-dimensional hybrid simulations. It is shown that both the structure and ion dissipation at the shocks differ considerably. In the parallel limit, the shock remains coupled to the piston and consists of large-amplitude magnetosonic-whistler waves in the upstream, through the shock and into the downstream region, where the waves eventually damp out. These waves are generated by an ion beam instability due to the interaction between the incident and piston-reflected ions. The excited waves decelerate the plasma sufficiently that it becomes stable far into the downstream. The increase in ion temperature along the shock normal in the downstream region is due to superposition of incident and piston-rflected ions. These two populations of ions remain distinct through the downstream region. While they are both gyrophase-bunched, their counterstreaming nature results in a 180-deg phase shift in their perpendicular velocities.

Omidi, N.↗
NASA NTRS1985

Dynamical features and electric field strengths of double layers driven by currents

In recent years, a number of papers have been concerned with 'ion-acoustic' double layers. In the present investigation, results from numerical simulations are presented to show that the shapes and forms of current-driven double layers evolve dynamically with the fluctuations in the current through the plasma. It is shown that double layers with a potential dip can form even without the excitation of ion-acoustic modes. Double layers in two-and one-half-dimensional simulations are discussed, taking into account the simulation technique, the spatial and temporal features of plasma, and the dynamical behavior of the parallel potential distribution. Attention is also given to double layers in one-dimensional simulations, and electrical field strengths predicted by two-and one-half-dimensional simulations.

Singh, N.↗
DOE OSTI2020

Scalable molecular dynamics on CPU and GPU architectures with NAMD

NAMD is a molecular dynamics program designed for high-performance simulations of very large biological objects on CPU- and GPU-based architectures. NAMD offers scalable performance on petascale parallel supercomputers consisting of hundreds of thousands of cores, as well as on inexpensive commodity clusters commonly found in academic environments. It is written in C++ and leans on Charm++ parallel objects for optimal performance on low-latency architectures. NAMD is a versatile, multipurpose code that gathers state-of-the-art algorithms to carry out simulations in apt thermodynamic ensembles, using the widely popular CHARMM, AMBER, OPLS, and GROMOS biomolecular force fields. Here, we review the main features of NAMD that allow both equilibrium and enhanced-sampling molecular dynamics simulations with numerical efficiency. We describe the underlying concepts utilized by NAMD and their implementation, most notably for handling long-range electrostatics; controlling the temperature, pressure, and pH; applying external potentials on tailored grids; leveraging massively parallel resources in multiple-copy simulations; and hybrid quantum-mechanical/molecular-mechanical descriptions. We detail the variety of options offered by NAMD for enhanced-sampling simulations aimed at determining free-energy differences of either alchemical or geometrical transformations and outline their applicability to specific problems. Last, we discuss the roadmap for the development of NAMD and our current efforts toward achieving optimal performance on GPU-based architectures, for pushing back the limitations that have prevented biologically realistic billion-atom objects to be fruitfully simulated, and for making large-scale simulations less expensive and easier to set up, run, and analyze. NAMD is distributed free of charge with its source code at www.ks.uiuc.edu.

high-performance computing↗
NASA NTRS1992

DSMC analysis in a heterogeneous parallel computing environment

A methodology for implementing parallel DSMC codes in a heterogeneous computing environment is described. The methodology involves the use of a common message-passing software library together with recently developed software that handles the actual interprocessor communications in a standard manner across a variety of computing platforms. Benchmark tests using a simple DSMC model problem were performed on an Intel iPSC/860, a Cray-YMP and a group of Sun workstations. The approach was found to give speedups that scaled linearly with problem size on all the computing platforms tested. This methodology was then incorporated into a production-type DSMC code to allow the simulation of problems that would not otherwise have been practical. The application of this production code to simulations of hypersonic shear flows and shock-lip interactions under near-continuum conditions is described. Synchronous and asynchronous models for implementing parallelism into DSMC simulations are also described and both models are shown to produce the same steady-state result.

Wilmoth, R. G.↗
DOE OSTI2023

Numerical Simulations of Flow-Induced Deflections in MITR LEU Fuel Plate Due to Channel Size Disparity

The hydromechanical stability of the fuel plates in parallel coolant channels of a Materials Testing Reactor (MTR) fuel element design is of great importance to the safety of research and test reactors. Previous analytical, experimental, and numerical efforts focused on parallel channels with the same or similar size; also, in the prior numerical simulations, the fuel plate was often assumed to be perfectly flat. This work presents the results of a fluid-structure interaction simulation performed to evaluate the flow-induced deflections of the fuel plates in the low-enriched uranium (LEU, <20 wt% 235 U) fuel element design for the conversion (from highly enriched uranium) of the Massachusetts Institute of Technology Reactor (MITR-II, also referred to as MITR). Various manufacturing and assembly tolerances of the MITR LEU elements are considered in the analysis, and the effects of channel size disparity, nonideal plate shape, and flow rate uncertainty are investigated. Results show that, for all cases analyzed, the deflection occurs toward the larger channel, and the change in any channel stripe remains small (less than 0.021 mm) compared to fabrication tolerances. In addition to simulation work, a hydraulic performance test of the MITR LEU fuel element is currently planned to support conversion to the use of LEU fuel.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Hanford Site Composite Analysis: LLBG-200-W B Vadose Zone Model

The objectives of the vadose modeling for the updated Hanford Site Composite Analysis (CA) are to simulate the flow and transport of water and radionuclide releases from the surface to the water table and to provide radionuclide transfer rates to the CA saturated zone model (CP-57037, Model Package Report: Plateau to River Groundwater Model, Version 8.3). Water additions include natural recharge and water discharged to the ground as a result of industrial processes associated with Hanford Site operations. Contaminant sources include radionuclides in water discharged to the ground during operations and radionuclides disposed “dry” in solid waste burial grounds or other means. The following 16 radionuclides were selected for this modeling effort: carbon-14 (C-14), chlorine-36 (Cl-36), tritium (H-3), iodine-129 (I-129), neptunium-237 (Np-237), rhenium-187 (Re-187), strontium-90 (Sr-90), technetium-99 (Tc-99), uranium-232 (U-232), uranium-233 (U-233), uranium-234 (U-234), uranium-235 (U-235), uranium-236 (U-236), uranium-238 (U-238), radium-226 (Ra-226), and thorium-230 (Th-230). The simulation time starts in 1943 and ends at 12070, which is 10,000 years after assumed Hanford Site closure in 2070. The parallel version of the Subsurface Transport Over Multiple Phases (STOMP 1 ) simulator, officially named the exascale Subsurface Transport Over Multiple Phases (eSTOMP), is used to simulate flow and transport for the vadose models. The documentation for the STOMP code is comprehensive. The theoretical and numerical approaches applied in the STOMP code are documented in a published theory guide (PNNL-12030, STOMP Subsurface Transport Over Multiple Phases Version 2.0 Theory Guide). The code has undergone a rigorous verification procedure against analytical solutions, laboratory-scale experiments, and field-scale demonstrations. The application guide (PNNL-11216, STOMP Subsurface Transport Over Multiple Phases Application Guide) provides instructive examples in the application of the code to classical groundwater problems. The user’s guide (PNNL-15782, STOMP: Subsurface Transport Over Multiple Phases Version 4.0: User’s Guide) describes the general use, input file formatting, compilation, and execution of the code. The primary output of the vadose zone modeling is radionuclide transfer rates to the groundwater for input into the saturated zone model. The rates will be summed over the 100 by 100 m saturated zone model grid cells that fall within the vadose zone model source domain.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1988

Utility of Emulation and Simulation Computer Modeling of Space Station Environmental Control and Life Support Systems

Over the years, computer modeling has been used extensively in many disciplines to solve engineering problems. A set of computer program tools is proposed to assist the engineer in the various phases of the Space Station program from technology selection through flight operations. The development and application of emulation and simulation transient performance modeling tools for life support systems are examined. The results of the development and the demonstration of the utility of three computer models are presented. The first model is a detailed computer model (emulation) of a solid amine water desorbed (SAWD) CO2 removal subsystem combined with much less detailed models (simulations) of a cabin, crew, and heat exchangers. This model was used in parallel with the hardware design and test of this CO2 removal subsystem. The second model is a simulation of an air revitalization system combined with a wastewater processing system to demonstrate the capabilities to study subsystem integration. The third model is that of a Space Station total air revitalization system. The station configuration consists of a habitat module, a lab module, two crews, and four connecting nodes.

Yanosy, James L.↗
DOE OSTI2021

A Review of Lattice-Boltzmann Models Coupled with Geochemical Modeling Applied for Simulation of Advanced Waterflooding and Enhanced Oil Recovery Processes

To maintain economic profit and improve the oil production efficiency after the primary and secondary production phase, advanced waterflooding techniques such as low salinity waterflooding in carbonate reservoirs have been investigated in numerical simulations, laboratory experiments, and field pilot tests. Multiple underlying mechanisms have been proposed based on these studies, and they are still under debate. Various numerical modeling approaches are introduced, but there exists a lack of a pore-scale comprehensive modeling scheme to fully understand the processes. Lattice-Boltzmann method (LBM) is a type of numerical fluid flow modeling technique that shows capabilities and flexibilities in modeling pore-scale fluid flow to integrate physical–chemical processes within complex structures. The intrinsic feature of LBM makes it a promising framework for simulating advanced waterflooding due to its flexibility, accuracy, and parallel efficiency. LBM works either by itself for solving reactive transport problems or by coupling with a third-party reaction solver. This review mainly introduces the LBM fluid flow and reactive transport capabilities and the concept and modeling approaches to simulate advanced waterflooding techniques. Meanwhile, an evaluation of the coupled LBM models for enhanced oil recovery (EOR) simulations is discussed with future research challenges and directions concluded.

02 PETROLEUM↗
NASA NTRS1994

Hot proton anisotropies and cool proton temperatures in the outer magnetosphere

The hot protons of the outer magnetosphere typically exhibit a temperature anistropy such that T(sub perp)/T(sub parallel) greater than 1, where perpendicular and parallel symbols denote directions relative to the background magnetic field. If this anisotrpy is sufficiently large, the electomagneitc proton cyclotron anistropy instability may be excited. This instability is studied using linear Vlasov theory and one-dimensional hybrid simulations for a homogeneous plasma model representative of conditions in the outer magnetosphere with a hot anisotropic proton component (denoted by subscript h) and a cool, initially isotropic proton component (subscript c). Linear theory yields an instability threshold condition on the hot proton temperature anistropy where as the simulations imply an upper bound on T(sub perp h)/T(sub parallel h); both the threshold and the upper bound have similar scaling with the maximum growth rate gamma (sub m), the parallel beta of the hot component, beta(sub parallel h), and the relative density of the hot component n(sub h)/n(sub e). An anlysis of plasma observations from the Los Alamos magnetospheric plasma analyzer (MPA) in geosynchronous orbits finds that the maximum value of the hot proton temperature anisotropy approximately satisfies the predicted scaling with beta(sub parallel h) and nu(sub h)/n(sub e) and yields the proportionality factor that quantifies this upper bound. The simulations are also used to examine the heating of the cool proton cyclotron instability. The simulations yield a scaling for the dimensionless late-time cool proton average temperature T(sub c)/T(sub parallel h) as (n(sub h)/n(sub e))/beta(sub parallel h exp 0.5). Analysis of MPA data shows that the observed values of T(sub c)/T(sub parallel h) have similar scaling and again yield the proportionality factor which quantifies this relationship.

Gary, S. Peter↗
NASA NTRS1998

Performance Analysis of an Actor-Based Distributed Simulation

Object-oriented design of simulation programs appears to be very attractive because of the natural association of components in the simulated system with objects. There is great potential in distributing the simulation across several computers for the purpose of parallel computation and its consequent handling of larger problems in less elapsed time. One approach to such a design is to use "actors", that is, active objects with their own thread of control. Because these objects execute concurrently, communication is via messages. This is in contrast to an object-oriented design using passive objects where communication between objects is via method calls (direct calls when they are in the same address space and remote procedure calls when they are in different address spaces or different machines). This paper describes a performance analysis program for the evaluation of a design for distributed simulations based upon actors.

Schoeffler, James D.↗
NASA NTRS1992

Modeling, simulation, and high-autonomy control of a Martian oxygen production plant

Progress on a project for the development of a high-autonomy intelligent command and control architecture for process plants used to produce oxygen from local planetary resources is reported. A distributed command and control architecture is being developed and implemented so that an oxygen production plant, or other equipment, can be reliably commanded and controlled over an extended time period in a high-autonomy mode with high-level task-oriented teleoperation from one or several remote locations. During the reporting period, progress was made at all levels of the architecture. At the remote site, several remote observers can now participate in monitoring the plant. At the local site, a command and control center was introduced for increased flexibility, reliability, and robustness. The local control architecture was enhanced to control multiple tubes in parallel, and was refined for increased robustness. The simulation model was enhanced to full dynamics descriptions.

Schooley, L. C.↗
DOE OSTI2020

Interface capturing simulations of bubble population effects in PWR subchannels

As the computational power of high-performance computing (HPC) facilities grows, so too does the feasibility of using first principle based simulation to study turbulent two-phase flows within complex pressurized water reactor (PWR) geometries. Direct numerical simulation (DNS), integrated with an interface capturing method, allows for the collection of high-fidelity numerical data using advanced analysis techniques. The research presented here employs the massively parallel, finite-element based, unstructured mesh code, PHASTA, to simulate a set of two-phase bubbly flows through PWR subchannel geometries including auxiliary structures (spacer grids and mixing vanes). The main objective of the presented work is to analyze bubble dynamics and turbulence interactions at varying bubble concentrations to support the development of advanced two-phase flow closure models. Turbulent two-phase flows in PWR subchannels were simulated at hydraulic Reynolds numbers of 81,000 with bubble concentrations of 3%–15% by gas volume fraction (768–3928 resolved bubbles, respectively) and compared against a 1% void fraction case (262 bubbles) that had been previously simulated. The finite element mesh utilized for the study at higher bubble concentrations was composed of 1.55 billion elements, compared to the previous study which employed 1.11 billion elements, ensuring all turbulence scales and individual bubbles within the flow are fully resolved. For each case, the resolved initial bubble size was 0.65 mm in diameter (resolved with 25 grid points across the diameter). The simulations were analyzed to find flow features such as the mean velocity profile, bubble relative velocity and the effect of the bubbles on the turbulent conditions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1987

Free-electron laser simulations on the MPP

Free electron lasers (FELs) are of interest because they provide high power, high efficiency, and broad tunability. FEL simulations can make efficient use of computers of the Massively Parallel Processor (MPP) class because most of the processing consists of applying a simple equation to a set of identical particles. A test version of the KMS Fusion FEL simulation, which resides mainly in the MPPs host computer and only partially in the MPP, has run successfully.

Vonlaven, Scott A.↗
NASA NTRS1990

Ion beam heating in the auroral zone

Recent satellite observations at high altitudes (above 5000 km) in the auroral zone have shown the existence of hybrid or bimodal ion beam distributions that are evidence of both parallel and perpendicular ion acceleration. To study the nonlinear effects of the ion-ion instability in terms of plasma heating, a numerical simulation parametric study has been performed. It was found that the parallel acceleration that forms the ion beams occurs on a time scale faster than ion-ion wave growth at low drifts; thus ion-ion wave growth is expected to occur primarily for higher drift speeds, which results in strong oblique heating of the ions (both hydrogen and oxygen) forming elevated ion conics.

Schriver, David↗
DOE OSTI2020

Turbulence-level dependence of cosmic ray parallel diffusion

ABSTRACT Understanding the transport of energetic cosmic rays belongs to the most challenging topics in astrophysics. Diffusion due to scattering by electromagnetic fluctuations is a key process in cosmic ray transport. The transition from a ballistic to a diffusive-propagation regime is presented in direct numerical calculations of diffusion coefficients for homogeneous magnetic field lines subject to turbulent perturbations. Simulation results are compared with theoretical derivations of the parallel diffusion coefficient’s dependences on the energy and the fluctuation amplitudes in the limit of weak turbulence. The present study shows that the widely used extrapolation of the energy scaling for the parallel diffusion coefficient to high turbulence levels predicted by quasi-linear theory does not provide a universally accurate description in the resonant-scattering regime. It is highlighted here that the numerically calculated diffusion coefficients can be polluted for low energies due to missing resonant interaction possibilities of the particles with the turbulence. Five reduced-rigidity regimes are established, which are separated by analytical boundaries derived in this work. Consequently, a proper description of cosmic ray propagation can only be achieved by using a turbulence-level-dependent diffusion coefficient and can contribute to solving the Galactic cosmic ray gradient problem.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2006

Single- and Multiple-Objective Optimization with Differential Evolution and Neural Networks

Genetic and evolutionary algorithms have been applied to solve numerous problems in engineering design where they have been used primarily as optimization procedures. These methods have an advantage over conventional gradient-based search procedures became they are capable of finding global optima of multi-modal functions and searching design spaces with disjoint feasible regions. They are also robust in the presence of noisy data. Another desirable feature of these methods is that they can efficiently use distributed and parallel computing resources since multiple function evaluations (flow simulations in aerodynamics design) can be performed simultaneously and independently on ultiple processors. For these reasons genetic and evolutionary algorithms are being used more frequently in design optimization. Examples include airfoil and wing design and compressor and turbine airfoil design. They are also finding increasing use in multiple-objective and multidisciplinary optimization. This lecture will focus on an evolutionary method that is a relatively new member to the general class of evolutionary methods called differential evolution (DE). This method is easy to use and program and it requires relatively few user-specified constants. These constants are easily determined for a wide class of problems. Fine-tuning the constants will off course yield the solution to the optimization problem at hand more rapidly. DE can be efficiently implemented on parallel computers and can be used for continuous, discrete and mixed discrete/continuous optimization problems. It does not require the objective function to be continuous and is noise tolerant. DE and applications to single and multiple-objective optimization will be included in the presentation and lecture notes. A method for aerodynamic design optimization that is based on neural networks will also be included as a part of this lecture. The method offers advantages over traditional optimization methods. It is more flexible than other methods in dealing with design in the context of both steady and unsteady flows, partial and complete data sets, combined experimental and numerical data, inclusion of various constraints and rules of thumb, and other issues that characterize the aerodynamic design process. Neural networks provide a natural framework within which a succession of numerical solutions of increasing fidelity, incorporating more realistic flow physics, can be represented and utilized for optimization. Neural networks also offer an excellent framework for multiple-objective and multi-disciplinary design optimization. Simulation tools from various disciplines can be integrated within this framework and rapid trade-off studies involving one or many disciplines can be performed. The prospect of combining neural network based optimization methods and evolutionary algorithms to obtain a hybrid method with the best properties of both methods will be included in this presentation. Achieving solution diversity and accurate convergence to the exact Pareto front in multiple objective optimization usually requires a significant computational effort with evolutionary algorithms. In this lecture we will also explore the possibility of using neural networks to obtain estimates of the Pareto optimal front using non-dominated solutions generated by DE as training data. Neural network estimators have the potential advantage of reducing the number of function evaluations required to obtain solution accuracy and diversity, thus reducing cost to design.

Rai, Man Mohan↗
NASA NTRS2018

A Conservative, Scalable, Space-Time Blade Element Rotor Model for Multi-Rotor Vehicles

The development of a parallel blade-element rotor model and its implementation into an adaptive Cartesian method is described. The unsteady version of the rotor model applies a body force to all cells contained in the swept space-time volume at each timestep and special care is taken to maintain axisymmetry on the Cartesian grid. Mesh convergence of rotor thrust and torque is obtained with around 10000 cells in the disk for the steady model. Parallelization is accomplished using OpenMP and the rotor force computation is distributed across all available nodes. Simulations of an isolated XV-15 rotor in hover show good correlation with experimental data and predictions of multi-rotor thrust variation closely match previous high fidelity simulations. The final paper will also include results from the unsteady rotor model and parallel scaling tests.

Conservative↗
NASA NTRS2002

Annual Research Briefs, 2002: Center for Turbulence Research

Turbulent combustion remains the largest component of the CTR's core program. This program and several related activities at CTR are supported by NASA's Ultra Efficient Engine Technology Program. It is also intimately connected with the Department of Energy's ASCI program at Stanford which develops the technology for numerical simulation of realistic aircraft engines using state of the art massively parallel computers. In combustion modeling the attention has been directed to the modeling of higher levels of complexity such as spray dynamics, radiation and soot formation. Major aircraft engine manufacturers have shown considerable interest in this program; in particular, a significant active collaboration exists between CTR and the Pratt & Whitney Corporation. CTR's combustion program is essentially based on the large-eddy simulation technique, LES, which is actively being pursued at CTR for this and many other applications. Important accomplishments in LES included simulations with three-dimensional filters which result in grid independent calculations (that is why we call it "true" LES), and the development of the methodology for integration of LES and Reynolds Averaged computations. Optimization techniques are being studied and used for the important problem of wall boundary conditions for LES as well as for optimal shape design for aeroacoustic and aerodynamic performance gains.

ULTRA EFFICIENT ENGINE TECHNOLOGY↗