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At least 1,207 records · Page 67

Turbulent Flow Simulation at the Exascale: Opportunities and Challenges Workshop: August 4-5, 2015, Washington, D.C.

This report details the impact exascale will bring to turbulent-flow simulations in applied science and technology. The need for accurate simulation of turbulent flows is evident across the DOE applied-science and engineering portfolios, including combustion, plasma physics, nuclear-reactor physics, wind energy, and atmospheric science. The workshop brought together experts in turbulent-flow simulation, computational mathematics, and high-performance computing. Building upon previous ASCR workshops on exascale computing, participants defined a research agenda and path forward that will enable scientists and engineers to continually leverage, engage, and direct advances in computational systems on the path to exascale computing.

97 MATHEMATICS AND COMPUTING↗

Kinetic Monte Carlo Simulations of Diffusion in Environmental Barrier Coating Materials

Ceramic Matrix Components (CMC) components for use in turbine engines offer a number of advantages compared with current practice. However, such components are subject to degradation through a variety of mechanisms. In particular, in the hot environment inside a turbine in operation a considerable amount of water vapor is present, and this can lead to corrosion and recession. Environmental Barrier Coating (EBC) systems that limit the amount of oxygen and water reaching the component are required to reduce this degradation and extend component life. A number of silicate-based materials are under consideration for use in such coating systems, including Yttterbium and Yttrium di- and monosilicates. In this work, we present results of kinetic Monte Carlo computer simulations of oxygen diffusion in Yttrium disilicate, and compare with previous work on Yttterbium disilicate. Coatings may also exhibit cracking, and the cracks can provide a direct path for oxygen to reach the component. There is typically a bond coat between the coating and component surface, but the bond coat material is generally chosen for properties other than low oxygen diffusivity. Nevertheless, the degree to which the bond coat can inhibit oxygen diffusion is of interest, as it may form the final defense against oxygen impingement on the component. We have therefore performed similar simulations of oxygen diffusion through HfSiO4, a proposed bond coat material.

Computer Simulation↗

Cognitive signal processing

Unsupervised signal pattern recognition - computer simulation of noisy signal pattern format, and construction of asymptotic Bayes decision boundary form

BAYESIAN STATISTICS↗

Applications of a detailed model of cardiac conduction to ventricular dysrhythmogenesis

In order to study transitions from normal patterns of electrical activity to abnormal patterns, such as ventricular activation, one requires a means to represent the state of myocardial electrical activation in a few parameters. Two parameters are presented here: 1) the net vorticity index (NVI) which is a measure of the net vorticity in a given region, and 2) the wavefront fractionation index (WFI), which is a measure of perturbations in the propagation of the electrical activation through the myocardium. Both parameters are topological measures in that normal propagation is condensed to a zero state, irrespective of smooth changes in wavefront orientation or shape. Several examples are demonstrated using a computer simulation of cardiac conduction. Potential applications to clinical diagnosis using experimentally obtainable data are discussed.

NASA Discipline Cardiopulmonary↗

Estimating short-period dynamics using an extended Kalman filter

An extended Kalman filter (EKF) is used to estimate the parameters of a low-order model from aircraft transient response data. The low-order model is a state space model derived from the short-period approximation of the longitudinal aircraft dynamics. The model corresponds to the pitch rate to stick force transfer function currently used in flying qualities analysis. Because of the model chosen, handling qualities information is also obtained. The parameters are estimated from flight data as well as from a six-degree-of-freedom, nonlinear simulation of the aircraft. These two estimates are then compared and the discrepancies noted. The low-order model is able to satisfactorily match both flight data and simulation data from a high-order computer simulation. The parameters obtained from the EKF analysis of flight data are compared to those obtained using frequency response analysis of the flight data. Time delays and damping ratios are compared and are in agreement. This technique demonstrates the potential to determine, in near real time, the extent of differences between computer models and the actual aircraft. Precise knowledge of these differences can help to determine the flying qualities of a test aircraft and lead to more efficient envelope expansion.

Bauer, Jeffrey E.↗

Development of computational fluid dynamics at NASA Ames Research Center

Ames Research Center has the lead role among NASA centers to conduct research in computational fluid dynamics. The past, the present, and the future prospects in this field are reviewed. Past accomplishments include pioneering computer simulations of fluid dynamics problems that have made computers valuable in complementing wind tunnels for aerodynamic research. The present facilities include the most powerful computers built in the United States. Three examples of viscous flow simulations are presented: an afterbody with an exhaust plume, a blunt fin mounted on a flat plate, and the Space Shuttle. The future prospects include implementation of the Numerical Aerodynamic Simulation Processing System that will provide the capability for solving the viscous flow field around an aircraft in a matter of minutes.

Inouye, M.↗

Development of computational fluid dynamics at NASA Ames Research Center

Ames Research Center has the lead role among NASA centers to conduct research in computational fluid dynamics. The past, the present, and the future prospects in this field are reviewed. Past accomplishments include pioneering computer simulations of fluid dynamics problems that have made computers valuable in complementing wind tunnels for aerodynamic research. The present facilities include the most powerful computers built in the United States. Three examples of viscous flow simulations are presented: an afterbody with an exhaust plume, a blunt fin mounted on a flat plate, and the space shuttle. The future prospects include implementation of the Numerical Aerodynamic Simulation Processing System that will provide the capability for solving the viscous flow field around an aircraft in a matter of minutes.

Inouye, M.↗

Detection of chaotic determinism in time series from randomly forced maps

Time series from biological system often display fluctuations in the measured variables. Much effort has been directed at determining whether this variability reflects deterministic chaos, or whether it is merely "noise". Despite this effort, it has been difficult to establish the presence of chaos in time series from biological sytems. The output from a biological system is probably the result of both its internal dynamics, and the input to the system from the surroundings. This implies that the system should be viewed as a mixed system with both stochastic and deterministic components. We present a method that appears to be useful in deciding whether determinism is present in a time series, and if this determinism has chaotic attributes, i.e., a positive characteristic exponent that leads to sensitivity to initial conditions. The method relies on fitting a nonlinear autoregressive model to the time series followed by an estimation of the characteristic exponents of the model over the observed probability distribution of states for the system. The method is tested by computer simulations, and applied to heart rate variability data.

Non-NASA Center↗

Detection of "noisy" chaos in a time series

Time series from biological system often displays fluctuations in the measured variables. Much effort has been directed at determining whether this variability reflects deterministic chaos, or whether it is merely "noise". The output from most biological systems is probably the result of both the internal dynamics of the systems, and the input to the system from the surroundings. This implies that the system should be viewed as a mixed system with both stochastic and deterministic components. We present a method that appears to be useful in deciding whether determinism is present in a time series, and if this determinism has chaotic attributes. The method relies on fitting a nonlinear autoregressive model to the time series followed by an estimation of the characteristic exponents of the model over the observed probability distribution of states for the system. The method is tested by computer simulations, and applied to heart rate variability data.

Non-NASA Center↗

Neutralization of cement-asbestos waste by melting in an arc-resistance furnace

Highlights: • Interesting possibility for cement-asbestos wastes utilisation. • Product of thermal treatment of cement-asbestos may be considered as useful secondary raw material. • Complete destruction of asbestos fibrous structure by melting process in arc-resistance furnace. • Reduction of cement-asbestos waste melting point by flux addition. - Abstract: The paper presents the results of research on asbestos waste disposal by the melting process. The tests were carried out in a laboratory arc-resistance electric furnace. The obtained results showed that the fibrous structure of asbestos contained in cement-asbestos waste was completely destroyed. This led to the formation of new mineral phases without dangerous properties. The melting test was conducted on raw cement-asbestos samples without any additives and with a content of mineral compounds, the aim of which was to support the melting process. The additives were selected among others on the basis of the computer simulation results carried out using FactSage database computing system. The research results indicate that the melting process of asbestos wastes is a potential and interesting method of neutralizing hazardous asbestos waste, which allows for further treatment and material recycling.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Failure Mechanisms in Fored, Layered, and Additive Manufactured Titanium due to Hypervelocity Impact: Experiments and Simulations

This article presents a study of dynamic failure events in forged, layered, and additive manufactured (AM) titanium alloy subject to hypervelocity impact. Experiments were conducted using a two stage light-gas gun, 0.22-caliber Lexan projectiles, and different types of titanium target plates. A four-channel Photonic Doppler Velocimetry (PDV) system was used to study the free surface velocities to provide an understanding of the different failure mechanisms in these materials. The experimental measurements were used to validate computational simulations, which describe the behavior of these materials under shock. It was determined that AM, forged titanium, and multi-layered stacks produce similar velocity profiles during the early stage of impact, with the AM targets exhibiting spall at lower velocities and the multi-layered stacks exhibiting vibrations between plates. Simulations of solid and layered forged materials provide a good match to experimental data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

A characterization of plasma properties of a heterogeneous magnetized low pressure discharge column

An approach is presented for characterizing heterogeneous magnetized plasma discharge tubes through the scattering of electromagnetic plane waves. Here, we formulate the analytical problem of electromagnetic scattering from a gyrotropic plasma column. The scattering accounts for the heterogeneous composition of the cylindrical discharge plasma and facilitates determining its propensity for gyrotropic scattering, particularly when electron collisional damping may be prevalent. The analytical results are validated using computational simulations. Scattered fields from the magnetized plasma are measured experimentally, and, by comparing the analytical and experimental results, the unknown parameters of the discharge, i.e., characteristic plasma and electron collisional damping frequencies, are determined. The technique is relatively straight-forward to use and removes the need for commercial computational electromagnetic simulations when experimental data on scattering characteristics of such cylindrical discharge plasmas are available.

36 MATERIALS SCIENCE↗

Path selection system simulation and evaluation for a Martian roving vehicle

A comprehensive digital computer simulation program has been developed for evaluating the path-selection system performance of an autonomous roving vehicle being designed for the exploration of Mars. Vehicle performance over realistic three-dimensional terrains in the presence of random motion disturbances and sensor measurement noise is simulated and plotted on a terrain contour map. In addition, a numerical figure-of-merit is computed automatically for each run.

Frederick, D. K.↗

Monte Carlo simulation of cylinders with short-range attractions

Cylindrical or rod-like particles are promising materials for the applications of fillers in nanocomposite materials and additives to control rheological properties of colloidal suspensions. Recent advances in particle synthesis allows for cylinders to be manufactured with short-ranged attractions to study the gelation as a function of packing fraction, aspect ratio and attraction strength. In order to aid in the analysis of small-angle scattering experiments of rod-like particles, computer simulation methods were used to model these particles with specialized Monte Carlo algorithms and tabular superquadric potentials. The attractive interaction between neighboring rods increases with the amount of locally-accessible surface area, thus leading to patchy-like interactions. We characterize the clustering and percolation of cylinders as the attractive interaction increases from the homogenous fluid at relatively low attraction strength, for a variety of aspect ratios and packing fractions. Comparisons with the experimental scattering results are also presented, which are in agreement.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Emerging activity in bilayered dispersions with wake-mediated interactions

In a bilayered system of particles with wake-mediated interactions, the action-reaction symmetry for the effective forces between particles of different layers is broken. Under quite general conditions we show that, if the interaction nonreciprocity exceeds a certain threshold, this creates an active dispersion of self-propelled clusters of Brownian particles. The emerging activity promotes unusual melting scenarios and an enormous diffusivity in the dense fluid. Furthermore, our results are obtained by computer simulation and analytical theory and can be verified in experiments with colloidal dispersions and complex plasmas.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Ten questions concerning agent-based modeling of occupant behavior for energy and environmental performance of buildings

We report the complexity of occupant behavior is one of the major contributors to uncertainty in building performance simulation. Agent-based modeling (ABM), a computational simulation technique, has gained attention in the occupant modeling field due to its capability and flexibility to capture the heterogeneity and dynamics of human behavior and the emergent effects. While multiple efforts in the past decade have demonstrated the usefulness of the ABM approach for simulating occupants and their impacts on building performance, several crucial matters in the ABM research still remain unexplored. This paper presents ten questions that highlight the most important issues regarding ABM research and applications for occupant behavior in the context of building performance simulation. The questions and answers aim to provide insights into current and future ABM research, and more importantly to inspire new significant questions from young researchers in the field. This research is part of the IEA EBC Annex 79 project, occupant-centric building design and operation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗