Sample records for accurate simulation results

  1. Ensemble MD simulations restrained via crystallographic data: Accurate structure leads to accurate dynamics

    PubMed Central

    Xue, Yi; Skrynnikov, Nikolai R

    2014-01-01

    Currently, the best existing molecular dynamics (MD) force fields cannot accurately reproduce the global free-energy minimum which realizes the experimental protein structure. As a result, long MD trajectories tend to drift away from the starting coordinates (e.g., crystallographic structures). To address this problem, we have devised a new simulation strategy aimed at protein crystals. An MD simulation of protein crystal is essentially an ensemble simulation involving multiple protein molecules in a crystal unit cell (or a block of unit cells). To ensure that average protein coordinates remain correct during the simulation, we introduced crystallography-based restraints into the MD protocol. Because these restraints are aimed at the ensemble-average structure, they have only minimal impact on conformational dynamics of the individual protein molecules. So long as the average structure remains reasonable, the proteins move in a native-like fashion as dictated by the original force field. To validate this approach, we have used the data from solid-state NMR spectroscopy, which is the orthogonal experimental technique uniquely sensitive to protein local dynamics. The new method has been tested on the well-established model protein, ubiquitin. The ensemble-restrained MD simulations produced lower crystallographic R factors than conventional simulations; they also led to more accurate predictions for crystallographic temperature factors, solid-state chemical shifts, and backbone order parameters. The predictions for 15N R1 relaxation rates are at least as accurate as those obtained from conventional simulations. Taken together, these results suggest that the presented trajectories may be among the most realistic protein MD simulations ever reported. In this context, the ensemble restraints based on high-resolution crystallographic data can be viewed as protein-specific empirical corrections to the standard force fields. PMID:24452989

  2. Accurate lithography simulation model based on convolutional neural networks

    NASA Astrophysics Data System (ADS)

    Watanabe, Yuki; Kimura, Taiki; Matsunawa, Tetsuaki; Nojima, Shigeki

    2017-07-01

    Lithography simulation is an essential technique for today's semiconductor manufacturing process. In order to calculate an entire chip in realistic time, compact resist model is commonly used. The model is established for faster calculation. To have accurate compact resist model, it is necessary to fix a complicated non-linear model function. However, it is difficult to decide an appropriate function manually because there are many options. This paper proposes a new compact resist model using CNN (Convolutional Neural Networks) which is one of deep learning techniques. CNN model makes it possible to determine an appropriate model function and achieve accurate simulation. Experimental results show CNN model can reduce CD prediction errors by 70% compared with the conventional model.

  3. Time-Accurate Numerical Simulations of Synthetic Jet Quiescent Air

    NASA Technical Reports Server (NTRS)

    Rupesh, K-A. B.; Ravi, B. R.; Mittal, R.; Raju, R.; Gallas, Q.; Cattafesta, L.

    2007-01-01

    The unsteady evolution of three-dimensional synthetic jet into quiescent air is studied by time-accurate numerical simulations using a second-order accurate mixed explicit-implicit fractional step scheme on Cartesian grids. Both two-dimensional and three-dimensional calculations of synthetic jet are carried out at a Reynolds number (based on average velocity during the discharge phase of the cycle V(sub j), and jet width d) of 750 and Stokes number of 17.02. The results obtained are assessed against PIV and hotwire measurements provided for the NASA LaRC workshop on CFD validation of synthetic jets.

  4. A Semi-implicit Method for Time Accurate Simulation of Compressible Flow

    NASA Astrophysics Data System (ADS)

    Wall, Clifton; Pierce, Charles D.; Moin, Parviz

    2001-11-01

    A semi-implicit method for time accurate simulation of compressible flow is presented. The method avoids the acoustic CFL limitation, allowing a time step restricted only by the convective velocity. Centered discretization in both time and space allows the method to achieve zero artificial attenuation of acoustic waves. The method is an extension of the standard low Mach number pressure correction method to the compressible Navier-Stokes equations, and the main feature of the method is the solution of a Helmholtz type pressure correction equation similar to that of Demirdžić et al. (Int. J. Num. Meth. Fluids, Vol. 16, pp. 1029-1050, 1993). The method is attractive for simulation of acoustic combustion instabilities in practical combustors. In these flows, the Mach number is low; therefore the time step allowed by the convective CFL limitation is significantly larger than that allowed by the acoustic CFL limitation, resulting in significant efficiency gains. Also, the method's property of zero artificial attenuation of acoustic waves is important for accurate simulation of the interaction between acoustic waves and the combustion process. The method has been implemented in a large eddy simulation code, and results from several test cases will be presented.

  5. Accurate Behavioral Simulator of All-Digital Time-Domain Smart Temperature Sensors by Using SIMULINK

    PubMed Central

    Chen, Chun-Chi; Chen, Chao-Lieh; Lin, You-Ting

    2016-01-01

    This study proposes a new behavioral simulator that uses SIMULINK for all-digital CMOS time-domain smart temperature sensors (TDSTSs) for performing rapid and accurate simulations. Inverter-based TDSTSs offer the benefits of low cost and simple structure for temperature-to-digital conversion and have been developed. Typically, electronic design automation tools, such as HSPICE, are used to simulate TDSTSs for performance evaluations. However, such tools require extremely long simulation time and complex procedures to analyze the results and generate figures. In this paper, we organize simple but accurate equations into a temperature-dependent model (TDM) by which the TDSTSs evaluate temperature behavior. Furthermore, temperature-sensing models of a single CMOS NOT gate were devised using HSPICE simulations. Using the TDM and these temperature-sensing models, a novel simulator in SIMULINK environment was developed to substantially accelerate the simulation and simplify the evaluation procedures. Experiments demonstrated that the simulation results of the proposed simulator have favorable agreement with those obtained from HSPICE simulations, showing that the proposed simulator functions successfully. This is the first behavioral simulator addressing the rapid simulation of TDSTSs. PMID:27509507

  6. Geant4 Modifications for Accurate Fission Simulations

    NASA Astrophysics Data System (ADS)

    Tan, Jiawei; Bendahan, Joseph

    Monte Carlo is one of the methods to simulate the generation and transport of radiation through matter. The most widely used radiation simulation codes are MCNP and Geant4. The simulation of fission production and transport by MCNP has been thoroughly benchmarked. There is an increasing number of users that prefer using Geant4 due to the flexibility of adding features. However, it has been found that Geant4 does not have the proper fission-production cross sections and does not produce the correct fission products. To achieve accurate results for studies in fissionable material applications, Geant4 was modified to correct these inaccuracies and to add new capabilities. The fission model developed by the Lawrence Livermore National Laboratory was integrated into the neutron-fission modeling package. The photofission simulation capability was enabled using the same neutron-fission library under the assumption that nuclei fission in the same way, independent of the excitation source. The modified fission code provides the correct multiplicity of prompt neutrons and gamma rays, and produces delayed gamma rays and neutrons with time and energy dependencies that are consistent with ENDF/B-VII. The delayed neutrons are now directly produced by a custom package that bypasses the fragment cascade model. The modifications were made for U-235, U-238 and Pu-239 isotopes; however, the new framework allows adding new isotopes easily. The SLAC nuclear data library is used for simulation of isotopes with an atomic number above 92 because it is not available in Geant4. Results of the modified Geant4.10.1 package of neutron-fission and photofission for prompt and delayed radiation are compared with ENDFB-VII and with results produced with the original package.

  7. Accurate and general treatment of electrostatic interaction in Hamiltonian adaptive resolution simulations

    NASA Astrophysics Data System (ADS)

    Heidari, M.; Cortes-Huerto, R.; Donadio, D.; Potestio, R.

    2016-10-01

    In adaptive resolution simulations the same system is concurrently modeled with different resolution in different subdomains of the simulation box, thereby enabling an accurate description in a small but relevant region, while the rest is treated with a computationally parsimonious model. In this framework, electrostatic interaction, whose accurate treatment is a crucial aspect in the realistic modeling of soft matter and biological systems, represents a particularly acute problem due to the intrinsic long-range nature of Coulomb potential. In the present work we propose and validate the usage of a short-range modification of Coulomb potential, the Damped shifted force (DSF) model, in the context of the Hamiltonian adaptive resolution simulation (H-AdResS) scheme. This approach, which is here validated on bulk water, ensures a reliable reproduction of the structural and dynamical properties of the liquid, and enables a seamless embedding in the H-AdResS framework. The resulting dual-resolution setup is implemented in the LAMMPS simulation package, and its customized version employed in the present work is made publicly available.

  8. Progress in fast, accurate multi-scale climate simulations

    DOE PAGES

    Collins, W. D.; Johansen, H.; Evans, K. J.; ...

    2015-06-01

    We present a survey of physical and computational techniques that have the potential to contribute to the next generation of high-fidelity, multi-scale climate simulations. Examples of the climate science problems that can be investigated with more depth with these computational improvements include the capture of remote forcings of localized hydrological extreme events, an accurate representation of cloud features over a range of spatial and temporal scales, and parallel, large ensembles of simulations to more effectively explore model sensitivities and uncertainties. Numerical techniques, such as adaptive mesh refinement, implicit time integration, and separate treatment of fast physical time scales are enablingmore » improved accuracy and fidelity in simulation of dynamics and allowing more complete representations of climate features at the global scale. At the same time, partnerships with computer science teams have focused on taking advantage of evolving computer architectures such as many-core processors and GPUs. As a result, approaches which were previously considered prohibitively costly have become both more efficient and scalable. In combination, progress in these three critical areas is poised to transform climate modeling in the coming decades.« less

  9. An approach for accurate simulation of liquid mixing in a T-shaped micromixer.

    PubMed

    Matsunaga, Takuya; Lee, Ho-Joon; Nishino, Koichi

    2013-04-21

    In this paper, we propose a new computational method for efficient evaluation of the fluid mixing behaviour in a T-shaped micromixer with a rectangular cross section at high Schmidt number under steady state conditions. Our approach enables a low-cost high-quality simulation based on tracking of fluid particles for convective fluid mixing and posterior solving of a model of the species equation for molecular diffusion. The examined parameter range is Re = 1.33 × 10(-2) to 240 at Sc = 3600. The proposed method is shown to simulate well the mixing quality even in the engulfment regime, where the ordinary grid-based simulation is not able to obtain accurate solutions with affordable mesh sizes due to the numerical diffusion at high Sc. The obtained results agree well with a backward random-walk Monte Carlo simulation, by which the accuracy of the proposed method is verified. For further investigation of the characteristics of the proposed method, the Sc dependency is examined in a wide range of Sc from 10 to 3600 at Re = 200. The study reveals that the model discrepancy error emerges more significantly in the concentration distribution at lower Sc, while the resulting mixing quality is accurate over the entire range.

  10. Can numerical simulations accurately predict hydrodynamic instabilities in liquid films?

    NASA Astrophysics Data System (ADS)

    Denner, Fabian; Charogiannis, Alexandros; Pradas, Marc; van Wachem, Berend G. M.; Markides, Christos N.; Kalliadasis, Serafim

    2014-11-01

    Understanding the dynamics of hydrodynamic instabilities in liquid film flows is an active field of research in fluid dynamics and non-linear science in general. Numerical simulations offer a powerful tool to study hydrodynamic instabilities in film flows and can provide deep insights into the underlying physical phenomena. However, the direct comparison of numerical results and experimental results is often hampered by several reasons. For instance, in numerical simulations the interface representation is problematic and the governing equations and boundary conditions may be oversimplified, whereas in experiments it is often difficult to extract accurate information on the fluid and its behavior, e.g. determine the fluid properties when the liquid contains particles for PIV measurements. In this contribution we present the latest results of our on-going, extensive study on hydrodynamic instabilities in liquid film flows, which includes direct numerical simulations, low-dimensional modelling as well as experiments. The major focus is on wave regimes, wave height and wave celerity as a function of Reynolds number and forcing frequency of a falling liquid film. Specific attention is paid to the differences in numerical and experimental results and the reasons for these differences. The authors are grateful to the EPSRC for their financial support (Grant EP/K008595/1).

  11. Molecular Simulation of the Free Energy for the Accurate Determination of Phase Transition Properties of Molecular Solids

    NASA Astrophysics Data System (ADS)

    Sellers, Michael; Lisal, Martin; Brennan, John

    2015-06-01

    Investigating the ability of a molecular model to accurately represent a real material is crucial to model development and use. When the model simulates materials in extreme conditions, one such property worth evaluating is the phase transition point. However, phase transitions are often overlooked or approximated because of difficulty or inaccuracy when simulating them. Techniques such as super-heating or super-squeezing a material to induce a phase change suffer from inherent timescale limitations leading to ``over-driving,'' and dual-phase simulations require many long-time runs to seek out what frequently results in an inexact location of phase-coexistence. We present a compilation of methods for the determination of solid-solid and solid-liquid phase transition points through the accurate calculation of the chemical potential. The methods are applied to the Smith-Bharadwaj atomistic potential's representation of cyclotrimethylene trinitramine (RDX) to accurately determine its melting point (Tm) and the alpha to gamma solid phase transition pressure. We also determine Tm for a coarse-grain model of RDX, and compare its value to experiment and atomistic counterpart. All methods are employed via the LAMMPS simulator, resulting in 60-70 simulations that total 30-50 ns. Approved for public release. Distribution is unlimited.

  12. An accurate behavioral model for single-photon avalanche diode statistical performance simulation

    NASA Astrophysics Data System (ADS)

    Xu, Yue; Zhao, Tingchen; Li, Ding

    2018-01-01

    An accurate behavioral model is presented to simulate important statistical performance of single-photon avalanche diodes (SPADs), such as dark count and after-pulsing noise. The derived simulation model takes into account all important generation mechanisms of the two kinds of noise. For the first time, thermal agitation, trap-assisted tunneling and band-to-band tunneling mechanisms are simultaneously incorporated in the simulation model to evaluate dark count behavior of SPADs fabricated in deep sub-micron CMOS technology. Meanwhile, a complete carrier trapping and de-trapping process is considered in afterpulsing model and a simple analytical expression is derived to estimate after-pulsing probability. In particular, the key model parameters of avalanche triggering probability and electric field dependence of excess bias voltage are extracted from Geiger-mode TCAD simulation and this behavioral simulation model doesn't include any empirical parameters. The developed SPAD model is implemented in Verilog-A behavioral hardware description language and successfully operated on commercial Cadence Spectre simulator, showing good universality and compatibility. The model simulation results are in a good accordance with the test data, validating high simulation accuracy.

  13. DKIST Adaptive Optics System: Simulation Results

    NASA Astrophysics Data System (ADS)

    Marino, Jose; Schmidt, Dirk

    2016-05-01

    The 4 m class Daniel K. Inouye Solar Telescope (DKIST), currently under construction, will be equipped with an ultra high order solar adaptive optics (AO) system. The requirements and capabilities of such a solar AO system are beyond those of any other solar AO system currently in operation. We must rely on solar AO simulations to estimate and quantify its performance.We present performance estimation results of the DKIST AO system obtained with a new solar AO simulation tool. This simulation tool is a flexible and fast end-to-end solar AO simulator which produces accurate solar AO simulations while taking advantage of current multi-core computer technology. It relies on full imaging simulations of the extended field Shack-Hartmann wavefront sensor (WFS), which directly includes important secondary effects such as field dependent distortions and varying contrast of the WFS sub-aperture images.

  14. Accurate simulation of backscattering spectra in the presence of sharp resonances

    NASA Astrophysics Data System (ADS)

    Barradas, N. P.; Alves, E.; Jeynes, C.; Tosaki, M.

    2006-06-01

    In elastic backscattering spectrometry, the shape of the observed spectrum due to resonances in the nuclear scattering cross-section is influenced by many factors. If the energy spread of the beam before interaction is larger than the resonance width, then a simple convolution with the energy spread on exit and with the detection system resolution will lead to a calculated spectrum with a resonance much sharper than the observed signal. Also, the yield from a thin layer will not be calculated accurately. We have developed an algorithm for the accurate simulation of backscattering spectra in the presence of sharp resonances. Albeit approximate, the algorithm leads to dramatic improvements in the quality and accuracy of the simulations. It is simple to implement and leads to only small increases of the calculation time, being thus suitable for routine data analysis. We show different experimental examples, including samples with roughness and porosity.

  15. MODFLOW equipped with a new method for the accurate simulation of axisymmetric flow

    NASA Astrophysics Data System (ADS)

    Samani, N.; Kompani-Zare, M.; Barry, D. A.

    2004-01-01

    Axisymmetric flow to a well is an important topic of groundwater hydraulics, the simulation of which depends on accurate computation of head gradients. Groundwater numerical models with conventional rectilinear grid geometry such as MODFLOW (in contrast to analytical models) generally have not been used to simulate aquifer test results at a pumping well because they are not designed or expected to closely simulate the head gradient near the well. A scaling method is proposed based on mapping the governing flow equation from cylindrical to Cartesian coordinates, and vice versa. A set of relationships and scales is derived to implement the conversion. The proposed scaling method is then embedded in MODFLOW 2000. To verify the accuracy of the method steady and unsteady flows in confined and unconfined aquifers with fully or partially penetrating pumping wells are simulated and compared with the corresponding analytical solutions. In all cases a high degree of accuracy is achieved.

  16. Time Accurate CFD Simulations of the Orion Launch Abort Vehicle in the Transonic Regime

    NASA Technical Reports Server (NTRS)

    Ruf, Joseph; Rojahn, Josh

    2011-01-01

    Significant asymmetries in the fluid dynamics were calculated for some cases in the CFD simulations of the Orion Launch Abort Vehicle through its abort trajectories. The CFD simulations were performed steady state with symmetric boundary conditions and geometries. The trajectory points at issue were in the transonic regime, at 0 and 5 angles of attack with the Abort Motors with and without the Attitude Control Motors (ACM) firing. In some of the cases the asymmetric fluid dynamics resulted in aerodynamic side forces that were large enough that would overcome the control authority of the ACMs. MSFC s Fluid Dynamics Group supported the investigation into the cause of the flow asymmetries with time accurate CFD simulations, utilizing a hybrid RANS-LES turbulence model. The results show that the flow over the vehicle and the subsequent interaction with the AB and ACM motor plumes were unsteady. The resulting instantaneous aerodynamic forces were oscillatory with fairly large magnitudes. Time averaged aerodynamic forces were essentially symmetric.

  17. Time-Accurate Simulations and Acoustic Analysis of Slat Free-Shear-Layer. Part 2

    NASA Technical Reports Server (NTRS)

    Khorrami, Mehdi R.; Singer, Bart A.; Lockard, David P.

    2002-01-01

    Unsteady computational simulations of a multi-element, high-lift configuration are performed. Emphasis is placed on accurate spatiotemporal resolution of the free shear layer in the slat-cove region. The excessive dissipative effects of the turbulence model, so prevalent in previous simulations, are circumvented by switching off the turbulence-production term in the slat cove region. The justifications and physical arguments for taking such a step are explained in detail. The removal of this excess damping allows the shear layer to amplify large-scale structures, to achieve a proper non-linear saturation state, and to permit vortex merging. The large-scale disturbances are self-excited, and unlike our prior fully turbulent simulations, no external forcing of the shear layer is required. To obtain the farfield acoustics, the Ffowcs Williams and Hawkings equation is evaluated numerically using the simulated time-accurate flow data. The present comparison between the computed and measured farfield acoustic spectra shows much better agreement for the amplitude and frequency content than past calculations. The effect of the angle-of-attack on the slat's flow features radiated acoustic field are also simulated presented.

  18. Time-Accurate Simulations and Acoustic Analysis of Slat Free-Shear Layer

    NASA Technical Reports Server (NTRS)

    Khorrami, Mehdi R.; Singer, Bart A.; Berkman, Mert E.

    2001-01-01

    A detailed computational aeroacoustic analysis of a high-lift flow field is performed. Time-accurate Reynolds Averaged Navier-Stokes (RANS) computations simulate the free shear layer that originates from the slat cusp. Both unforced and forced cases are studied. Preliminary results show that the shear layer is a good amplifier of disturbances in the low to mid-frequency range. The Ffowcs-Williams and Hawkings equation is solved to determine the acoustic field using the unsteady flow data from the RANS calculations. The noise radiated from the excited shear layer has a spectral shape qualitatively similar to that obtained from measurements in a corresponding experimental study of the high-lift system.

  19. Accurate simulations of helium pick-up experiments using a rejection-free Monte Carlo method

    NASA Astrophysics Data System (ADS)

    Dutra, Matthew; Hinde, Robert

    2018-04-01

    In this paper, we present Monte Carlo simulations of helium droplet pick-up experiments with the intention of developing a robust and accurate theoretical approach for interpreting experimental helium droplet calorimetry data. Our approach is capable of capturing the evaporative behavior of helium droplets following dopant acquisition, allowing for a more realistic description of the pick-up process. Furthermore, we circumvent the traditional assumption of bulk helium behavior by utilizing density functional calculations of the size-dependent helium droplet chemical potential. The results of this new Monte Carlo technique are compared to commonly used Poisson pick-up statistics for simulations that reflect a broad range of experimental parameters. We conclude by offering an assessment of both of these theoretical approaches in the context of our observed results.

  20. Optimization of tissue physical parameters for accurate temperature estimation from finite-element simulation of radiofrequency ablation.

    PubMed

    Subramanian, Swetha; Mast, T Douglas

    2015-10-07

    Computational finite element models are commonly used for the simulation of radiofrequency ablation (RFA) treatments. However, the accuracy of these simulations is limited by the lack of precise knowledge of tissue parameters. In this technical note, an inverse solver based on the unscented Kalman filter (UKF) is proposed to optimize values for specific heat, thermal conductivity, and electrical conductivity resulting in accurately simulated temperature elevations. A total of 15 RFA treatments were performed on ex vivo bovine liver tissue. For each RFA treatment, 15 finite-element simulations were performed using a set of deterministically chosen tissue parameters to estimate the mean and variance of the resulting tissue ablation. The UKF was implemented as an inverse solver to recover the specific heat, thermal conductivity, and electrical conductivity corresponding to the measured area of the ablated tissue region, as determined from gross tissue histology. These tissue parameters were then employed in the finite element model to simulate the position- and time-dependent tissue temperature. Results show good agreement between simulated and measured temperature.

  1. Computer simulation results of attitude estimation of earth orbiting satellites

    NASA Technical Reports Server (NTRS)

    Kou, S. R.

    1976-01-01

    Computer simulation results of attitude estimation of Earth-orbiting satellites (including Space Telescope) subjected to environmental disturbances and noises are presented. Decomposed linear recursive filter and Kalman filter were used as estimation tools. Six programs were developed for this simulation, and all were written in the basic language and were run on HP 9830A and HP 9866A computers. Simulation results show that a decomposed linear recursive filter is accurate in estimation and fast in response time. Furthermore, for higher order systems, this filter has computational advantages (i.e., less integration errors and roundoff errors) over a Kalman filter.

  2. Time Accurate CFD Simulations of the Orion Launch Abort Vehicle in the Transonic Regime

    NASA Technical Reports Server (NTRS)

    Rojahn, Josh; Ruf, Joe

    2011-01-01

    Significant asymmetries in the fluid dynamics were calculated for some cases in the CFD simulations of the Orion Launch Abort Vehicle through its abort trajectories. The CFD simulations were performed steady state and in three dimensions with symmetric geometries, no freestream sideslip angle, and motors firing. The trajectory points at issue were in the transonic regime, at 0 and +/- 5 angles of attack with the Abort Motors with and without the Attitude Control Motors (ACM) firing. In some of the cases the asymmetric fluid dynamics resulted in aerodynamic side forces that were large enough that would overcome the control authority of the ACMs. MSFC's Fluid Dynamics Group supported the investigation into the cause of the flow asymmetries with time accurate CFD simulations, utilizing a hybrid RANS-LES turbulence model. The results show that the flow over the vehicle and the subsequent interaction with the AB and ACM motor plumes were unsteady. The resulting instantaneous aerodynamic forces were oscillatory with fairly large magnitudes. Time averaged aerodynamic forces were essentially symmetric.

  3. Numerical Simulation of the 2004 Indian Ocean Tsunami: Accurate Flooding and drying in Banda Aceh

    NASA Astrophysics Data System (ADS)

    Cui, Haiyang; Pietrzak, Julie; Stelling, Guus; Androsov, Alexey; Harig, Sven

    2010-05-01

    The Indian Ocean Tsunami on December 26, 2004 caused one of the largest tsunamis in recent times and led to widespread devastation and loss of life. One of the worst hit regions was Banda Aceh, which is the capital of the Aceh province, located in the northern part of Sumatra, 150km from the source of the earthquake. A German-Indonesian Tsunami Early Warning System (GITEWS) (www.gitews.de) is currently under active development. The work presented here is carried out within the GITEWS framework. One of the aims of this project is the development of accurate models with which to simulate the propagation, flooding and drying, and run-up of a tsunami. In this context, TsunAWI has been developed by the Alfred Wegener Institute; it is an explicit, () finite element model. However, the accurate numerical simulation of flooding and drying requires the conservation of mass and momentum. This is not possible in the current version of TsunAWi. The P1NC - P1element guarantees mass conservation in a global sense, yet as we show here it is important to guarantee mass conservation at the local level, that is within each individual cell. Here an unstructured grid, finite volume ocean model is presented. It is derived from the P1NC - P1 element, and is shown to be mass and momentum conserving. Then a number of simulations are presented, including dam break problems flooding over both a wet and a dry bed. Excellent agreement is found. Then we present simulations for Banda Aceh, and compare the results to on-site survey data, as well as to results from the original TsunAWI code.

  4. Implicit time accurate simulation of unsteady flow

    NASA Astrophysics Data System (ADS)

    van Buuren, René; Kuerten, Hans; Geurts, Bernard J.

    2001-03-01

    Implicit time integration was studied in the context of unsteady shock-boundary layer interaction flow. With an explicit second-order Runge-Kutta scheme, a reference solution to compare with the implicit second-order Crank-Nicolson scheme was determined. The time step in the explicit scheme is restricted by both temporal accuracy as well as stability requirements, whereas in the A-stable implicit scheme, the time step has to obey temporal resolution requirements and numerical convergence conditions. The non-linear discrete equations for each time step are solved iteratively by adding a pseudo-time derivative. The quasi-Newton approach is adopted and the linear systems that arise are approximately solved with a symmetric block Gauss-Seidel solver. As a guiding principle for properly setting numerical time integration parameters that yield an efficient time accurate capturing of the solution, the global error caused by the temporal integration is compared with the error resulting from the spatial discretization. Focus is on the sensitivity of properties of the solution in relation to the time step. Numerical simulations show that the time step needed for acceptable accuracy can be considerably larger than the explicit stability time step; typical ratios range from 20 to 80. At large time steps, convergence problems that are closely related to a highly complex structure of the basins of attraction of the iterative method may occur. Copyright

  5. Numerical simulations of catastrophic disruption: Recent results

    NASA Technical Reports Server (NTRS)

    Benz, W.; Asphaug, E.; Ryan, E. V.

    1994-01-01

    Numerical simulations have been used to study high velocity two-body impacts. In this paper, a two-dimensional Largrangian finite difference hydro-code and a three-dimensional smooth particle hydro-code (SPH) are described and initial results reported. These codes can be, and have been, used to make specific predictions about particular objects in our solar system. But more significantly, they allow us to explore a broad range of collisional events. Certain parameters (size, time) can be studied only over a very restricted range within the laboratory; other parameters (initial spin, low gravity, exotic structure or composition) are difficult to study at all experimentally. The outcomes of numerical simulations lead to a more general and accurate understanding of impacts in their many forms.

  6. Fast and Accurate Hybrid Stream PCRTMSOLAR Radiative Transfer Model for Reflected Solar Spectrum Simulation in the Cloudy Atmosphere

    NASA Technical Reports Server (NTRS)

    Yang, Qiguang; Liu, Xu; Wu, Wan; Kizer, Susan; Baize, Rosemary R.

    2016-01-01

    A hybrid stream PCRTM-SOLAR model has been proposed for fast and accurate radiative transfer simulation. It calculates the reflected solar (RS) radiances with a fast coarse way and then, with the help of a pre-saved matrix, transforms the results to obtain the desired high accurate RS spectrum. The methodology has been demonstrated with the hybrid stream discrete ordinate (HSDO) radiative transfer (RT) model. The HSDO method calculates the monochromatic radiances using a 4-stream discrete ordinate method, where only a small number of monochromatic radiances are simulated with both 4-stream and a larger N-stream (N = 16) discrete ordinate RT algorithm. The accuracy of the obtained channel radiance is comparable to the result from N-stream moderate resolution atmospheric transmission version 5 (MODTRAN5). The root-mean-square errors are usually less than 5x10(exp -4) mW/sq cm/sr/cm. The computational speed is three to four-orders of magnitude faster than the medium speed correlated-k option MODTRAN5. This method is very efficient to simulate thousands of RS spectra under multi-layer clouds/aerosols and solar radiation conditions for climate change study and numerical weather prediction applications.

  7. Recommendations for Achieving Accurate Numerical Simulation of Tip Clearance Flows in Transonic Compressor Rotors

    NASA Technical Reports Server (NTRS)

    VanZante, Dale E.; Strazisar, Anthony J.; Wood, Jerry R,; Hathaway, Michael D.; Okiishi, Theodore H.

    2000-01-01

    The tip clearance flows of transonic compressor rotors are important because they have a significant impact on rotor and stage performance. While numerical simulations of these flows are quite sophisticated. they are seldom verified through rigorous comparisons of numerical and measured data because these kinds of measurements are rare in the detail necessary to be useful in high-speed machines. In this paper we compare measured tip clearance flow details (e.g. trajectory and radial extent) with corresponding data obtained from a numerical simulation. Recommendations for achieving accurate numerical simulation of tip clearance flows are presented based on this comparison. Laser Doppler Velocimeter (LDV) measurements acquired in a transonic compressor rotor, NASA Rotor 35, are used. The tip clearance flow field of this transonic rotor was simulated using a Navier-Stokes turbomachinery solver that incorporates an advanced k-epsilon turbulence model derived for flows that are not in local equilibrium. Comparison between measured and simulated results indicates that simulation accuracy is primarily dependent upon the ability of the numerical code to resolve important details of a wall-bounded shear layer formed by the relative motion between the over-tip leakage flow and the shroud wall. A simple method is presented for determining the strength of this shear layer.

  8. Coarse-Graining Polymer Field Theory for Fast and Accurate Simulations of Directed Self-Assembly

    NASA Astrophysics Data System (ADS)

    Liu, Jimmy; Delaney, Kris; Fredrickson, Glenn

    To design effective manufacturing processes using polymer directed self-assembly (DSA), the semiconductor industry benefits greatly from having a complete picture of stable and defective polymer configurations. Field-theoretic simulations are an effective way to study these configurations and predict defect populations. Self-consistent field theory (SCFT) is a particularly successful theory for studies of DSA. Although other models exist that are faster to simulate, these models are phenomenological or derived through asymptotic approximations, often leading to a loss of accuracy relative to SCFT. In this study, we employ our recently-developed method to produce an accurate coarse-grained field theory for diblock copolymers. The method uses a force- and stress-matching strategy to map output from SCFT simulations into parameters for an optimized phase field model. This optimized phase field model is just as fast as existing phenomenological phase field models, but makes more accurate predictions of polymer self-assembly, both in bulk and in confined systems. We study the performance of this model under various conditions, including its predictions of domain spacing, morphology and defect formation energies. Samsung Electronics.

  9. Time Accurate Unsteady Pressure Loads Simulated for the Space Launch System at a Wind Tunnel Condition

    NASA Technical Reports Server (NTRS)

    Alter, Stephen J.; Brauckmann, Gregory J.; Kleb, Bil; Streett, Craig L; Glass, Christopher E.; Schuster, David M.

    2015-01-01

    Using the Fully Unstructured Three-Dimensional (FUN3D) computational fluid dynamics code, an unsteady, time-accurate flow field about a Space Launch System configuration was simulated at a transonic wind tunnel condition (Mach = 0.9). Delayed detached eddy simulation combined with Reynolds Averaged Naiver-Stokes and a Spallart-Almaras turbulence model were employed for the simulation. Second order accurate time evolution scheme was used to simulate the flow field, with a minimum of 0.2 seconds of simulated time to as much as 1.4 seconds. Data was collected at 480 pressure taps at locations, 139 of which matched a 3% wind tunnel model, tested in the Transonic Dynamic Tunnel (TDT) facility at NASA Langley Research Center. Comparisons between computation and experiment showed agreement within 5% in terms of location for peak RMS levels, and 20% for frequency and magnitude of power spectral densities. Grid resolution and time step sensitivity studies were performed to identify methods for improved accuracy comparisons to wind tunnel data. With limited computational resources, accurate trends for reduced vibratory loads on the vehicle were observed. Exploratory methods such as determining minimized computed errors based on CFL number and sub-iterations, as well as evaluating frequency content of the unsteady pressures and evaluation of oscillatory shock structures were used in this study to enhance computational efficiency and solution accuracy. These techniques enabled development of a set of best practices, for the evaluation of future flight vehicle designs in terms of vibratory loads.

  10. How Accurate Are Transition States from Simulations of Enzymatic Reactions?

    PubMed Central

    2015-01-01

    The rate expression of traditional transition state theory (TST) assumes no recrossing of the transition state (TS) and thermal quasi-equilibrium between the ground state and the TS. Currently, it is not well understood to what extent these assumptions influence the nature of the activated complex obtained in traditional TST-based simulations of processes in the condensed phase in general and in enzymes in particular. Here we scrutinize these assumptions by characterizing the TSs for hydride transfer catalyzed by the enzyme Escherichia coli dihydrofolate reductase obtained using various simulation approaches. Specifically, we compare the TSs obtained with common TST-based methods and a dynamics-based method. Using a recently developed accurate hybrid quantum mechanics/molecular mechanics potential, we find that the TST-based and dynamics-based methods give considerably different TS ensembles. This discrepancy, which could be due equilibrium solvation effects and the nature of the reaction coordinate employed and its motion, raises major questions about how to interpret the TSs determined by common simulation methods. We conclude that further investigation is needed to characterize the impact of various TST assumptions on the TS phase-space ensemble and on the reaction kinetics. PMID:24860275

  11. Accurate load prediction by BEM with airfoil data from 3D RANS simulations

    NASA Astrophysics Data System (ADS)

    Schneider, Marc S.; Nitzsche, Jens; Hennings, Holger

    2016-09-01

    In this paper, two methods for the extraction of airfoil coefficients from 3D CFD simulations of a wind turbine rotor are investigated, and these coefficients are used to improve the load prediction of a BEM code. The coefficients are extracted from a number of steady RANS simulations, using either averaging of velocities in annular sections, or an inverse BEM approach for determination of the induction factors in the rotor plane. It is shown that these 3D rotor polars are able to capture the rotational augmentation at the inner part of the blade as well as the load reduction by 3D effects close to the blade tip. They are used as input to a simple BEM code and the results of this BEM with 3D rotor polars are compared to the predictions of BEM with 2D airfoil coefficients plus common empirical corrections for stall delay and tip loss. While BEM with 2D airfoil coefficients produces a very different radial distribution of loads than the RANS simulation, the BEM with 3D rotor polars manages to reproduce the loads from RANS very accurately for a variety of load cases, as long as the blade pitch angle is not too different from the cases from which the polars were extracted.

  12. Unfitted Two-Phase Flow Simulations in Pore-Geometries with Accurate

    NASA Astrophysics Data System (ADS)

    Heimann, Felix; Engwer, Christian; Ippisch, Olaf; Bastian, Peter

    2013-04-01

    The development of better macro scale models for multi-phase flow in porous media is still impeded by the lack of suitable methods for the simulation of such flow regimes on the pore scale. The highly complicated geometry of natural porous media imposes requirements with regard to stability and computational efficiency which current numerical methods fail to meet. Therefore, current simulation environments are still unable to provide a thorough understanding of porous media in multi-phase regimes and still fail to reproduce well known effects like hysteresis or the more peculiar dynamics of the capillary fringe with satisfying accuracy. Although flow simulations in pore geometries were initially the domain of Lattice-Boltzmann and other particle methods, the development of Galerkin methods for such applications is important as they complement the range of feasible flow and parameter regimes. In the recent past, it has been shown that unfitted Galerkin methods can be applied efficiently to topologically demanding geometries. However, in the context of two-phase flows, the interface of the two immiscible fluids effectively separates the domain in two sub-domains. The exact representation of such setups with multiple independent and time depending geometries exceeds the functionality of common unfitted methods. We present a new approach to pore scale simulations with an unfitted discontinuous Galerkin (UDG) method. Utilizing a recursive sub-triangulation algorithm, we extent the UDG method to setups with multiple independent geometries. This approach allows an accurate representation of the moving contact line and the interface conditions, i.e. the pressure jump across the interface. Example simulations in two and three dimensions illustrate and verify the stability and accuracy of this approach.

  13. A spectral element method with adaptive segmentation for accurately simulating extracellular electrical stimulation of neurons.

    PubMed

    Eiber, Calvin D; Dokos, Socrates; Lovell, Nigel H; Suaning, Gregg J

    2017-05-01

    The capacity to quickly and accurately simulate extracellular stimulation of neurons is essential to the design of next-generation neural prostheses. Existing platforms for simulating neurons are largely based on finite-difference techniques; due to the complex geometries involved, the more powerful spectral or differential quadrature techniques cannot be applied directly. This paper presents a mathematical basis for the application of a spectral element method to the problem of simulating the extracellular stimulation of retinal neurons, which is readily extensible to neural fibers of any kind. The activating function formalism is extended to arbitrary neuron geometries, and a segmentation method to guarantee an appropriate choice of collocation points is presented. Differential quadrature may then be applied to efficiently solve the resulting cable equations. The capacity for this model to simulate action potentials propagating through branching structures and to predict minimum extracellular stimulation thresholds for individual neurons is demonstrated. The presented model is validated against published values for extracellular stimulation threshold and conduction velocity for realistic physiological parameter values. This model suggests that convoluted axon geometries are more readily activated by extracellular stimulation than linear axon geometries, which may have ramifications for the design of neural prostheses.

  14. Direct Numerical Simulation of Liquid Nozzle Spray with Comparison to Shadowgraphy and X-Ray Computed Tomography Experimental Results

    NASA Astrophysics Data System (ADS)

    van Poppel, Bret; Owkes, Mark; Nelson, Thomas; Lee, Zachary; Sowell, Tyler; Benson, Michael; Vasquez Guzman, Pablo; Fahrig, Rebecca; Eaton, John; Kurman, Matthew; Kweon, Chol-Bum; Bravo, Luis

    2014-11-01

    In this work, we present high-fidelity Computational Fluid Dynamics (CFD) results of liquid fuel injection from a pressure-swirl atomizer and compare the simulations to experimental results obtained using both shadowgraphy and phase-averaged X-ray computed tomography (CT) scans. The CFD and experimental results focus on the dense near-nozzle region to identify the dominant mechanisms of breakup during primary atomization. Simulations are performed using the NGA code of Desjardins et al (JCP 227 (2008)) and employ the volume of fluid (VOF) method proposed by Owkes and Desjardins (JCP 270 (2013)), a second order accurate, un-split, conservative, three-dimensional VOF scheme providing second order density fluxes and capable of robust and accurate high density ratio simulations. Qualitative features and quantitative statistics are assessed and compared for the simulation and experimental results, including the onset of atomization, spray cone angle, and drop size and distribution.

  15. Parallel kinetic Monte Carlo simulation framework incorporating accurate models of adsorbate lateral interactions

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Nielsen, Jens; D’Avezac, Mayeul; Hetherington, James

    2013-12-14

    Ab initio kinetic Monte Carlo (KMC) simulations have been successfully applied for over two decades to elucidate the underlying physico-chemical phenomena on the surfaces of heterogeneous catalysts. These simulations necessitate detailed knowledge of the kinetics of elementary reactions constituting the reaction mechanism, and the energetics of the species participating in the chemistry. The information about the energetics is encoded in the formation energies of gas and surface-bound species, and the lateral interactions between adsorbates on the catalytic surface, which can be modeled at different levels of detail. The majority of previous works accounted for only pairwise-additive first nearest-neighbor interactions. Moremore » recently, cluster-expansion Hamiltonians incorporating long-range interactions and many-body terms have been used for detailed estimations of catalytic rate [C. Wu, D. J. Schmidt, C. Wolverton, and W. F. Schneider, J. Catal. 286, 88 (2012)]. In view of the increasing interest in accurate predictions of catalytic performance, there is a need for general-purpose KMC approaches incorporating detailed cluster expansion models for the adlayer energetics. We have addressed this need by building on the previously introduced graph-theoretical KMC framework, and we have developed Zacros, a FORTRAN2003 KMC package for simulating catalytic chemistries. To tackle the high computational cost in the presence of long-range interactions we introduce parallelization with OpenMP. We further benchmark our framework by simulating a KMC analogue of the NO oxidation system established by Schneider and co-workers [J. Catal. 286, 88 (2012)]. We show that taking into account only first nearest-neighbor interactions may lead to large errors in the prediction of the catalytic rate, whereas for accurate estimates thereof, one needs to include long-range terms in the cluster expansion.« less

  16. Coupled optical and thermal detailed simulations for the accurate evaluation and performance improvement of molten salts solar towers

    NASA Astrophysics Data System (ADS)

    García-Barberena, Javier; Mutuberria, Amaia; Palacin, Luis G.; Sanz, Javier L.; Pereira, Daniel; Bernardos, Ana; Sanchez, Marcelino; Rocha, Alberto R.

    2017-06-01

    The National Renewable Energy Centre of Spain, CENER, and the Technology & Innovation area of ACS Cobra, as a result of their long term expertise in the CSP field, have developed a high-quality and high level of detail optical and thermal simulation software for the accurate evaluation of Molten Salts Solar Towers. The main purpose of this software is to make a step forward in the state-of-the-art of the Solar Towers simulation programs. Generally, these programs deal with the most critical systems of such plants, i.e. the solar field and the receiver, on an independent basis. Therefore, these programs typically neglect relevant aspects in the operation of the plant as heliostat aiming strategies, solar flux shapes onto the receiver, material physical and operational limitations, transient processes as preheating and secure cloud passing operating modes, and more. The modelling approach implemented in the developed program consists on effectively coupling detailed optical simulations of the heliostat field with also detailed and full-transient thermal simulations of the molten salts tube-based external receiver. The optical model is based on an accurate Monte Carlo ray-tracing method which solves the complete solar field by simulating each of the heliostats at once according to their specific layout in the field. In the thermal side, the tube-based cylindrical external receiver of a Molten Salts Solar Tower is modelled assuming one representative tube per panel, and implementing the specific connection layout of the panels as well as the internal receiver pipes. Each tube is longitudinally discretized and the transient energy and mass balances in the temperature dependent molten salts and steel tube models are solved. For this, a one dimensional radial heat transfer model based is used. The thermal model is completed with a detailed control and operation strategy module, able to represent the appropriate operation of the plant. An integration framework has been

  17. Initial conditions for accurate N-body simulations of massive neutrino cosmologies

    NASA Astrophysics Data System (ADS)

    Zennaro, M.; Bel, J.; Villaescusa-Navarro, F.; Carbone, C.; Sefusatti, E.; Guzzo, L.

    2017-04-01

    The set-up of the initial conditions in cosmological N-body simulations is usually implemented by rescaling the desired low-redshift linear power spectrum to the required starting redshift consistently with the Newtonian evolution of the simulation. The implementation of this practical solution requires more care in the context of massive neutrino cosmologies, mainly because of the non-trivial scale-dependence of the linear growth that characterizes these models. In this work, we consider a simple two-fluid, Newtonian approximation for cold dark matter and massive neutrinos perturbations that can reproduce the cold matter linear evolution predicted by Boltzmann codes such as CAMB or CLASS with a 0.1 per cent accuracy or below for all redshift relevant to non-linear structure formation. We use this description, in the first place, to quantify the systematic errors induced by several approximations often assumed in numerical simulations, including the typical set-up of the initial conditions for massive neutrino cosmologies adopted in previous works. We then take advantage of the flexibility of this approach to rescale the late-time linear power spectra to the simulation initial redshift, in order to be as consistent as possible with the dynamics of the N-body code and the approximations it assumes. We implement our method in a public code (REPS rescaled power spectra for initial conditions with massive neutrinos https://github.com/matteozennaro/reps) providing the initial displacements and velocities for cold dark matter and neutrino particles that will allow accurate, I.e. 1 per cent level, numerical simulations for this cosmological scenario.

  18. Simulation of diurnal thermal energy storage systems: Preliminary results

    NASA Astrophysics Data System (ADS)

    Katipamula, S.; Somasundaram, S.; Williams, H. R.

    1994-12-01

    This report describes the results of a simulation of thermal energy storage (TES) integrated with a simple-cycle gas turbine cogeneration system. Integrating TES with cogeneration can serve the electrical and thermal loads independently while firing all fuel in the gas turbine. The detailed engineering and economic feasibility of diurnal TES systems integrated with cogeneration systems has been described in two previous PNL reports. The objective of this study was to lay the ground work for optimization of the TES system designs using a simulation tool called TRNSYS (TRaNsient SYstem Simulation). TRNSYS is a transient simulation program with a sequential-modular structure developed at the Solar Energy Laboratory, University of Wisconsin-Madison. The two TES systems selected for the base-case simulations were: (1) a one-tank storage model to represent the oil/rock TES system; and (2) a two-tank storage model to represent the molten nitrate salt TES system. Results of the study clearly indicate that an engineering optimization of the TES system using TRNSYS is possible. The one-tank stratified oil/rock storage model described here is a good starting point for parametric studies of a TES system. Further developments to the TRNSYS library of available models (economizer, evaporator, gas turbine, etc.) are recommended so that the phase-change processes is accurately treated.

  19. Helicopter flight dynamics simulation with a time-accurate free-vortex wake model

    NASA Astrophysics Data System (ADS)

    Ribera, Maria

    This dissertation describes the implementation and validation of a coupled rotor-fuselage simulation model with a time-accurate free-vortex wake model capable of capturing the response to maneuvers of arbitrary amplitude. The resulting model has been used to analyze different flight conditions, including both steady and transient maneuvers. The flight dynamics model is based on a system of coupled nonlinear rotor-fuselage differential equations in first-order, state-space form. The rotor model includes flexible blades, with coupled flap-lag-torsion dynamics and swept tips; the rigid body dynamics are modeled with the non-linear Euler equations. The free wake models the rotor flow field by tracking the vortices released at the blade tips. Their behavior is described by the equations of vorticity transport, which is approximated using finite differences, and solved using a time-accurate numerical scheme. The flight dynamics model can be solved as a system of non-linear algebraic trim equations to determine the steady state solution, or integrated in time in response to pilot-applied controls. This study also implements new approaches to reduce the prohibitive computational costs associated with such complex models without losing accuracy. The mathematical model was validated for trim conditions in level flight, turns, climbs and descents. The results obtained correlate well with flight test data, both in level flight as well as turning and climbing and descending flight. The swept tip model was also found to improve the trim predictions, particularly at high speed. The behavior of the rigid body and the rotor blade dynamics were also studied and related to the aerodynamic load distributions obtained with the free wake induced velocities. The model was also validated in a lateral maneuver from hover. The results show improvements in the on-axis prediction, and indicate a possible relation between the off-axis prediction and the lack of rotor-body interaction

  20. Symphony: A Framework for Accurate and Holistic WSN Simulation

    PubMed Central

    Riliskis, Laurynas; Osipov, Evgeny

    2015-01-01

    Research on wireless sensor networks has progressed rapidly over the last decade, and these technologies have been widely adopted for both industrial and domestic uses. Several operating systems have been developed, along with a multitude of network protocols for all layers of the communication stack. Industrial Wireless Sensor Network (WSN) systems must satisfy strict criteria and are typically more complex and larger in scale than domestic systems. Together with the non-deterministic behavior of network hardware in real settings, this greatly complicates the debugging and testing of WSN functionality. To facilitate the testing, validation, and debugging of large-scale WSN systems, we have developed a simulation framework that accurately reproduces the processes that occur inside real equipment, including both hardware- and software-induced delays. The core of the framework consists of a virtualized operating system and an emulated hardware platform that is integrated with the general purpose network simulator ns-3. Our framework enables the user to adjust the real code base as would be done in real deployments and also to test the boundary effects of different hardware components on the performance of distributed applications and protocols. Additionally we have developed a clock emulator with several different skew models and a component that handles sensory data feeds. The new framework should substantially shorten WSN application development cycles. PMID:25723144

  1. Time-Accurate Computational Fluid Dynamics Simulation of a Pair of Moving Solid Rocket Boosters

    NASA Technical Reports Server (NTRS)

    Strutzenberg, Louise L.; Williams, Brandon R.

    2011-01-01

    Since the Columbia accident, the threat to the Shuttle launch vehicle from debris during the liftoff timeframe has been assessed by the Liftoff Debris Team at NASA/MSFC. In addition to engineering methods of analysis, CFD-generated flow fields during the liftoff timeframe have been used in conjunction with 3-DOF debris transport methods to predict the motion of liftoff debris. Early models made use of a quasi-steady flow field approximation with the vehicle positioned at a fixed location relative to the ground; however, a moving overset mesh capability has recently been developed for the Loci/CHEM CFD software which enables higher-fidelity simulation of the Shuttle transient plume startup and liftoff environment. The present work details the simulation of the launch pad and mobile launch platform (MLP) with truncated solid rocket boosters (SRBs) moving in a prescribed liftoff trajectory derived from Shuttle flight measurements. Using Loci/CHEM, time-accurate RANS and hybrid RANS/LES simulations were performed for the timeframe T0+0 to T0+3.5 seconds, which consists of SRB startup to a vehicle altitude of approximately 90 feet above the MLP. Analysis of the transient flowfield focuses on the evolution of the SRB plumes in the MLP plume holes and the flame trench, impingement on the flame deflector, and especially impingment on the MLP deck resulting in upward flow which is a transport mechanism for debris. The results show excellent qualitative agreement with the visual record from past Shuttle flights, and comparisons to pressure measurements in the flame trench and on the MLP provide confidence in these simulation capabilities.

  2. ILT based defect simulation of inspection images accurately predicts mask defect printability on wafer

    NASA Astrophysics Data System (ADS)

    Deep, Prakash; Paninjath, Sankaranarayanan; Pereira, Mark; Buck, Peter

    2016-05-01

    printability of defects at wafer level and automates the process of defect dispositioning from images captured using high resolution inspection machine. It first eliminates false defects due to registration, focus errors, image capture errors and random noise caused during inspection. For the remaining real defects, actual mask-like contours are generated using the Calibre® ILT solution [1][2], which is enhanced to predict the actual mask contours from high resolution defect images. It enables accurate prediction of defect contours, which is not possible from images captured using inspection machine because some information is already lost due to optical effects. Calibre's simulation engine is used to generate images at wafer level using scanner optical conditions and mask-like contours as input. The tool then analyses simulated images and predicts defect printability. It automatically calculates maximum CD variation and decides which defects are severe to affect patterns on wafer. In this paper, we assess the printability of defects for the mask of advanced technology nodes. In particular, we will compare the recovered mask contours with contours extracted from SEM image of the mask and compare simulation results with AIMSTM for a variety of defects and patterns. The results of printability assessment and the accuracy of comparison are presented in this paper. We also suggest how this method can be extended to predict printability of defects identified on EUV photomasks.

  3. The Space-Time Conservative Schemes for Large-Scale, Time-Accurate Flow Simulations with Tetrahedral Meshes

    NASA Technical Reports Server (NTRS)

    Venkatachari, Balaji Shankar; Streett, Craig L.; Chang, Chau-Lyan; Friedlander, David J.; Wang, Xiao-Yen; Chang, Sin-Chung

    2016-01-01

    Despite decades of development of unstructured mesh methods, high-fidelity time-accurate simulations are still predominantly carried out on structured, or unstructured hexahedral meshes by using high-order finite-difference, weighted essentially non-oscillatory (WENO), or hybrid schemes formed by their combinations. In this work, the space-time conservation element solution element (CESE) method is used to simulate several flow problems including supersonic jet/shock interaction and its impact on launch vehicle acoustics, and direct numerical simulations of turbulent flows using tetrahedral meshes. This paper provides a status report for the continuing development of the space-time conservation element solution element (CESE) numerical and software framework under the Revolutionary Computational Aerosciences (RCA) project. Solution accuracy and large-scale parallel performance of the numerical framework is assessed with the goal of providing a viable paradigm for future high-fidelity flow physics simulations.

  4. How to obtain accurate resist simulations in very low-k1 era?

    NASA Astrophysics Data System (ADS)

    Chiou, Tsann-Bim; Park, Chan-Ha; Choi, Jae-Seung; Min, Young-Hong; Hansen, Steve; Tseng, Shih-En; Chen, Alek C.; Yim, Donggyu

    2006-03-01

    A procedure for calibrating a resist model iteratively adjusts appropriate parameters until the simulations of the model match the experimental data. The tunable parameters may include the shape of the illuminator, the geometry and transmittance/phase of the mask, light source and scanner-related parameters that affect imaging quality, resist process control and most importantly the physical/chemical factors in the resist model. The resist model can be accurately calibrated by measuring critical dimensions (CD) of a focus-exposure matrix (FEM) and the technique has been demonstrated to be very successful in predicting lithographic performance. However, resist model calibration is more challenging in the low k1 (<0.3) regime because numerous uncertainties, such as mask and resist CD metrology errors, are becoming too large to be ignored. This study demonstrates a resist model calibration procedure for a 0.29 k1 process using a 6% halftone mask containing 2D brickwall patterns. The influence of different scanning electron microscopes (SEM) and their wafer metrology signal analysis algorithms on the accuracy of the resist model is evaluated. As an example of the metrology issue of the resist pattern, the treatment of a sidewall angle is demonstrated for the resist line ends where the contrast is relatively low. Additionally, the mask optical proximity correction (OPC) and corner rounding are considered in the calibration procedure that is based on captured SEM images. Accordingly, the average root-mean-square (RMS) error, which is the difference between simulated and experimental CDs, can be improved by considering the metrological issues. Moreover, a weighting method and a measured CD tolerance are proposed to handle the different CD variations of the various edge points of the wafer resist pattern. After the weighting method is implemented and the CD selection criteria applied, the RMS error can be further suppressed. Therefore, the resist CD and process window can

  5. Epoch length to accurately estimate the amplitude of interference EMG is likely the result of unavoidable amplitude cancellation

    PubMed Central

    Keenan, Kevin G.; Valero-Cuevas, Francisco J.

    2008-01-01

    Researchers and clinicians routinely rely on interference electromyograms (EMGs) to estimate muscle forces and command signals in the neuromuscular system (e.g., amplitude, timing, and frequency content). The amplitude cancellation intrinsic to interference EMG, however, raises important questions about how to optimize these estimates. For example, what should the length of the epoch (time window) be to average an EMG signal to reliably estimate muscle forces and command signals? Shorter epochs are most practical, and significant reductions in epoch have been reported with high-pass filtering and whitening. Given that this processing attenuates power at frequencies of interest (< 250 Hz), however, it is unclear how it improves the extraction of physiologically-relevant information. We examined the influence of amplitude cancellation and high-pass filtering on the epoch necessary to accurately estimate the “true” average EMG amplitude calculated from a 28 s EMG trace (EMGref) during simulated constant isometric conditions. Monte Carlo iterations of a motor-unit model simulating 28 s of surface EMG produced 245 simulations under 2 conditions: with and without amplitude cancellation. For each simulation, we calculated the epoch necessary to generate average full-wave rectified EMG amplitudes that settled within 5% of EMGref. For the no-cancellation EMG, the necessary epochs were short (e.g., < 100 ms). For the more realistic interference EMG (i.e., cancellation condition), epochs shortened dramatically after using high-pass filter cutoffs above 250 Hz, producing epochs short enough to be practical (i.e., < 500 ms). We conclude that the need to use long epochs to accurately estimate EMG amplitude is likely the result of unavoidable amplitude cancellation, which helps to clarify why high-pass filtering (> 250 Hz) improves EMG estimates. PMID:19081815

  6. Accurate hybrid stochastic simulation of a system of coupled chemical or biochemical reactions.

    PubMed

    Salis, Howard; Kaznessis, Yiannis

    2005-02-01

    The dynamical solution of a well-mixed, nonlinear stochastic chemical kinetic system, described by the Master equation, may be exactly computed using the stochastic simulation algorithm. However, because the computational cost scales with the number of reaction occurrences, systems with one or more "fast" reactions become costly to simulate. This paper describes a hybrid stochastic method that partitions the system into subsets of fast and slow reactions, approximates the fast reactions as a continuous Markov process, using a chemical Langevin equation, and accurately describes the slow dynamics using the integral form of the "Next Reaction" variant of the stochastic simulation algorithm. The key innovation of this method is its mechanism of efficiently monitoring the occurrences of slow, discrete events while simultaneously simulating the dynamics of a continuous, stochastic or deterministic process. In addition, by introducing an approximation in which multiple slow reactions may occur within a time step of the numerical integration of the chemical Langevin equation, the hybrid stochastic method performs much faster with only a marginal decrease in accuracy. Multiple examples, including a biological pulse generator and a large-scale system benchmark, are simulated using the exact and proposed hybrid methods as well as, for comparison, a previous hybrid stochastic method. Probability distributions of the solutions are compared and the weak errors of the first two moments are computed. In general, these hybrid methods may be applied to the simulation of the dynamics of a system described by stochastic differential, ordinary differential, and Master equations.

  7. Assessing Pharmacy Students’ Ability to Accurately Measure Blood Pressure Using a Blood Pressure Simulator Arm

    PubMed Central

    Bryant, Ginelle A.; Haack, Sally L.; North, Andrew M.

    2013-01-01

    Objective. To compare student accuracy in measuring normal and high blood pressures using a simulator arm. Methods. In this prospective, single-blind, study involving third-year pharmacy students, simulator arms were programmed with prespecified normal and high blood pressures. Students measured preset normal and high diastolic and systolic blood pressure using a crossover design. Results. One hundred sixteen students completed both blood pressure measurements. There was a significant difference between the accuracy of high systolic blood pressure (HSBP) measurement and normal systolic blood pressure (NSBP) measurement (mean HSBP difference 8.4 ± 10.9 mmHg vs NSBP 3.6 ± 6.4 mmHg; p<0.001). However, there was no difference between the accuracy of high diastolic blood pressure (HDBP) measurement and normal diastolic blood pressure (NDBP) measurement (mean HDBP difference 6.8 ± 9.6 mmHg vs. mean NDBP difference 4.6 ± 4.5 mmHg; p=0.089). Conclusions. Pharmacy students may need additional instruction and experience with taking high blood pressure measurements to ensure they are able to accurately assess this important vital sign. PMID:23788809

  8. Accurate initial conditions in mixed dark matter-baryon simulations

    NASA Astrophysics Data System (ADS)

    Valkenburg, Wessel; Villaescusa-Navarro, Francisco

    2017-06-01

    We quantify the error in the results of mixed baryon-dark-matter hydrodynamic simulations, stemming from outdated approximations for the generation of initial conditions. The error at redshift 0 in contemporary large simulations is of the order of few to 10 per cent in the power spectra of baryons and dark matter, and their combined total-matter power spectrum. After describing how to properly assign initial displacements and peculiar velocities to multiple species, we review several approximations: (1) using the total-matter power spectrum to compute displacements and peculiar velocities of both fluids, (2) scaling the linear redshift-zero power spectrum back to the initial power spectrum using the Newtonian growth factor ignoring homogeneous radiation, (3) using a mix of general-relativistic gauges so as to approximate Newtonian gravity, namely longitudinal-gauge velocities with synchronous-gauge densities and (4) ignoring the phase-difference in the Fourier modes for the offset baryon grid, relative to the dark-matter grid. Three of these approximations do not take into account that dark matter and baryons experience a scale-dependent growth after photon decoupling, which results in directions of velocity that are not the same as their direction of displacement. We compare the outcome of hydrodynamic simulations with these four approximations to our reference simulation, all setup with the same random seed and simulated using gadget-III.

  9. Folding molecular dynamics simulations accurately predict the effect of mutations on the stability and structure of a vammin-derived peptide.

    PubMed

    Koukos, Panagiotis I; Glykos, Nicholas M

    2014-08-28

    Folding molecular dynamics simulations amounting to a grand total of 4 μs of simulation time were performed on two peptides (with native and mutated sequences) derived from loop 3 of the vammin protein and the results compared with the experimentally known peptide stabilities and structures. The simulations faithfully and accurately reproduce the major experimental findings and show that (a) the native peptide is mostly disordered in solution, (b) the mutant peptide has a well-defined and stable structure, and (c) the structure of the mutant is an irregular β-hairpin with a non-glycine β-bulge, in excellent agreement with the peptide's known NMR structure. Additionally, the simulations also predict the presence of a very small β-hairpin-like population for the native peptide but surprisingly indicate that this population is structurally more similar to the structure of the native peptide as observed in the vammin protein than to the NMR structure of the isolated mutant peptide. We conclude that, at least for the given system, force field, and simulation protocol, folding molecular dynamics simulations appear to be successful in reproducing the experimentally accessible physical reality to a satisfactory level of detail and accuracy.

  10. Approaching system equilibrium with accurate or not accurate feedback information in a two-route system

    NASA Astrophysics Data System (ADS)

    Zhao, Xiao-mei; Xie, Dong-fan; Li, Qi

    2015-02-01

    With the development of intelligent transport system, advanced information feedback strategies have been developed to reduce traffic congestion and enhance the capacity. However, previous strategies provide accurate information to travelers and our simulation results show that accurate information brings negative effects, especially in delay case. Because travelers prefer to the best condition route with accurate information, and delayed information cannot reflect current traffic condition but past. Then travelers make wrong routing decisions, causing the decrease of the capacity and the increase of oscillations and the system deviating from the equilibrium. To avoid the negative effect, bounded rationality is taken into account by introducing a boundedly rational threshold BR. When difference between two routes is less than the BR, routes have equal probability to be chosen. The bounded rationality is helpful to improve the efficiency in terms of capacity, oscillation and the gap deviating from the system equilibrium.

  11. Cartesian Off-Body Grid Adaption for Viscous Time- Accurate Flow Simulation

    NASA Technical Reports Server (NTRS)

    Buning, Pieter G.; Pulliam, Thomas H.

    2011-01-01

    An improved solution adaption capability has been implemented in the OVERFLOW overset grid CFD code. Building on the Cartesian off-body approach inherent in OVERFLOW and the original adaptive refinement method developed by Meakin, the new scheme provides for automated creation of multiple levels of finer Cartesian grids. Refinement can be based on the undivided second-difference of the flow solution variables, or on a specific flow quantity such as vorticity. Coupled with load-balancing and an inmemory solution interpolation procedure, the adaption process provides very good performance for time-accurate simulations on parallel compute platforms. A method of using refined, thin body-fitted grids combined with adaption in the off-body grids is presented, which maximizes the part of the domain subject to adaption. Two- and three-dimensional examples are used to illustrate the effectiveness and performance of the adaption scheme.

  12. Ion velocity distribution functions in argon and helium discharges: detailed comparison of numerical simulation results and experimental data

    NASA Astrophysics Data System (ADS)

    Wang, Huihui; Sukhomlinov, Vladimir S.; Kaganovich, Igor D.; Mustafaev, Alexander S.

    2017-02-01

    Using the Monte Carlo collision method, we have performed simulations of ion velocity distribution functions (IVDF) taking into account both elastic collisions and charge exchange collisions of ions with atoms in uniform electric fields for argon and helium background gases. The simulation results are verified by comparison with the experiment data of the ion mobilities and the ion transverse diffusion coefficients in argon and helium. The recently published experimental data for the first seven coefficients of the Legendre polynomial expansion of the ion energy and angular distribution functions are used to validate simulation results for IVDF. Good agreement between measured and simulated IVDFs shows that the developed simulation model can be used for accurate calculations of IVDFs.

  13. How accurate is the Pearson r-from-Z approximation? A Monte Carlo simulation study.

    PubMed

    Hittner, James B; May, Kim

    2012-01-01

    The Pearson r-from-Z approximation estimates the sample correlation (as an effect size measure) from the ratio of two quantities: the standard normal deviate equivalent (Z-score) corresponding to a one-tailed p-value divided by the square root of the total (pooled) sample size. The formula has utility in meta-analytic work when reports of research contain minimal statistical information. Although simple to implement, the accuracy of the Pearson r-from-Z approximation has not been empirically evaluated. To address this omission, we performed a series of Monte Carlo simulations. Results indicated that in some cases the formula did accurately estimate the sample correlation. However, when sample size was very small (N = 10) and effect sizes were small to small-moderate (ds of 0.1 and 0.3), the Pearson r-from-Z approximation was very inaccurate. Detailed figures that provide guidance as to when the Pearson r-from-Z formula will likely yield valid inferences are presented.

  14. Accurately modeling Gaussian beam propagation in the context of Monte Carlo techniques

    NASA Astrophysics Data System (ADS)

    Hokr, Brett H.; Winblad, Aidan; Bixler, Joel N.; Elpers, Gabriel; Zollars, Byron; Scully, Marlan O.; Yakovlev, Vladislav V.; Thomas, Robert J.

    2016-03-01

    Monte Carlo simulations are widely considered to be the gold standard for studying the propagation of light in turbid media. However, traditional Monte Carlo methods fail to account for diffraction because they treat light as a particle. This results in converging beams focusing to a point instead of a diffraction limited spot, greatly effecting the accuracy of Monte Carlo simulations near the focal plane. Here, we present a technique capable of simulating a focusing beam in accordance to the rules of Gaussian optics, resulting in a diffraction limited focal spot. This technique can be easily implemented into any traditional Monte Carlo simulation allowing existing models to be converted to include accurate focusing geometries with minimal effort. We will present results for a focusing beam in a layered tissue model, demonstrating that for different scenarios the region of highest intensity, thus the greatest heating, can change from the surface to the focus. The ability to simulate accurate focusing geometries will greatly enhance the usefulness of Monte Carlo for countless applications, including studying laser tissue interactions in medical applications and light propagation through turbid media.

  15. Accurate Monte Carlo simulations on FCC and HCP Lennard-Jones solids at very low temperatures and high reduced densities up to 1.30

    NASA Astrophysics Data System (ADS)

    Adidharma, Hertanto; Tan, Sugata P.

    2016-07-01

    Canonical Monte Carlo simulations on face-centered cubic (FCC) and hexagonal closed packed (HCP) Lennard-Jones (LJ) solids are conducted at very low temperatures (0.10 ≤ T∗ ≤ 1.20) and high densities (0.96 ≤ ρ∗ ≤ 1.30). A simple and robust method is introduced to determine whether or not the cutoff distance used in the simulation is large enough to provide accurate thermodynamic properties, which enables us to distinguish the properties of FCC from that of HCP LJ solids with confidence, despite their close similarities. Free-energy expressions derived from the simulation results are also proposed, not only to describe the properties of those individual structures but also the FCC-liquid, FCC-vapor, and FCC-HCP solid phase equilibria.

  16. Hydration free energies of cyanide and hydroxide ions from molecular dynamics simulations with accurate force fields

    USGS Publications Warehouse

    Lee, M.W.; Meuwly, M.

    2013-01-01

    The evaluation of hydration free energies is a sensitive test to assess force fields used in atomistic simulations. We showed recently that the vibrational relaxation times, 1D- and 2D-infrared spectroscopies for CN(-) in water can be quantitatively described from molecular dynamics (MD) simulations with multipolar force fields and slightly enlarged van der Waals radii for the C- and N-atoms. To validate such an approach, the present work investigates the solvation free energy of cyanide in water using MD simulations with accurate multipolar electrostatics. It is found that larger van der Waals radii are indeed necessary to obtain results close to the experimental values when a multipolar force field is used. For CN(-), the van der Waals ranges refined in our previous work yield hydration free energy between -72.0 and -77.2 kcal mol(-1), which is in excellent agreement with the experimental data. In addition to the cyanide ion, we also study the hydroxide ion to show that the method used here is readily applicable to similar systems. Hydration free energies are found to sensitively depend on the intermolecular interactions, while bonded interactions are less important, as expected. We also investigate in the present work the possibility of applying the multipolar force field in scoring trajectories generated using computationally inexpensive methods, which should be useful in broader parametrization studies with reduced computational resources, as scoring is much faster than the generation of the trajectories.

  17. Time-Accurate Unsteady Pressure Loads Simulated for the Space Launch System at Wind Tunnel Conditions

    NASA Technical Reports Server (NTRS)

    Alter, Stephen J.; Brauckmann, Gregory J.; Kleb, William L.; Glass, Christopher E.; Streett, Craig L.; Schuster, David M.

    2015-01-01

    A transonic flow field about a Space Launch System (SLS) configuration was simulated with the Fully Unstructured Three-Dimensional (FUN3D) computational fluid dynamics (CFD) code at wind tunnel conditions. Unsteady, time-accurate computations were performed using second-order Delayed Detached Eddy Simulation (DDES) for up to 1.5 physical seconds. The surface pressure time history was collected at 619 locations, 169 of which matched locations on a 2.5 percent wind tunnel model that was tested in the 11 ft. x 11 ft. test section of the NASA Ames Research Center's Unitary Plan Wind Tunnel. Comparisons between computation and experiment showed that the peak surface pressure RMS level occurs behind the forward attach hardware, and good agreement for frequency and power was obtained in this region. Computational domain, grid resolution, and time step sensitivity studies were performed. These included an investigation of pseudo-time sub-iteration convergence. Using these sensitivity studies and experimental data comparisons, a set of best practices to date have been established for FUN3D simulations for SLS launch vehicle analysis. To the author's knowledge, this is the first time DDES has been used in a systematic approach and establish simulation time needed, to analyze unsteady pressure loads on a space launch vehicle such as the NASA SLS.

  18. Quiet Clean Short-haul Experimental Engine (QCSEE) over-the-wing engine and control simulation results

    NASA Technical Reports Server (NTRS)

    1978-01-01

    A hybrid-computer simulation of the over the wing turbofan engine was constructed to develop the dynamic design of the control. This engine and control system includes a full authority digital electronic control using compressor stator reset to achieve fast thrust response and a modified Kalman filter to correct for sensor failures. Fast thrust response for powered-lift operations and accurate, fast responding, steady state control of the engine is provided. Simulation results for throttle bursts from 62 to 100 percent takeoff thrust predict that the engine will accelerate from 62 to 95 percent takeoff thrust in one second.

  19. North Atlantic (NAT) aided inertial navigation system simulation volume I. : technical results

    DOT National Transportation Integrated Search

    1973-07-01

    Current air traffic operations over the North ATlantic (NAT) and the application of hybrid navigation systems to obtain more accurate performance on these NAT routes are reviewed. A digital computer simulation program (NATNAV - North ATlantic NAVigat...

  20. The Aurora radiation-hydrodynamical simulations of reionization: calibration and first results

    NASA Astrophysics Data System (ADS)

    Pawlik, Andreas H.; Rahmati, Alireza; Schaye, Joop; Jeon, Myoungwon; Dalla Vecchia, Claudio

    2017-04-01

    We introduce a new suite of radiation-hydrodynamical simulations of galaxy formation and reionization called Aurora. The Aurora simulations make use of a spatially adaptive radiative transfer technique that lets us accurately capture the small-scale structure in the gas at the resolution of the hydrodynamics, in cosmological volumes. In addition to ionizing radiation, Aurora includes galactic winds driven by star formation and the enrichment of the universe with metals synthesized in the stars. Our reference simulation uses 2 × 5123 dark matter and gas particles in a box of size 25 h-1 comoving Mpc with a force softening scale of at most 0.28 h-1 kpc. It is accompanied by simulations in larger and smaller boxes and at higher and lower resolution, employing up to 2 × 10243 particles, to investigate numerical convergence. All simulations are calibrated to yield simulated star formation rate functions in close agreement with observational constraints at redshift z = 7 and to achieve reionization at z ≈ 8.3, which is consistent with the observed optical depth to reionization. We focus on the design and calibration of the simulations and present some first results. The median stellar metallicities of low-mass galaxies at z = 6 are consistent with the metallicities of dwarf galaxies in the Local Group, which are believed to have formed most of their stars at high redshifts. After reionization, the mean photoionization rate decreases systematically with increasing resolution. This coincides with a systematic increase in the abundance of neutral hydrogen absorbers in the intergalactic medium.

  1. A Three Dimensional Parallel Time Accurate Turbopump Simulation Procedure Using Overset Grid Systems

    NASA Technical Reports Server (NTRS)

    Kiris, Cetin; Chan, William; Kwak, Dochan

    2001-01-01

    The objective of the current effort is to provide a computational framework for design and analysis of the entire fuel supply system of a liquid rocket engine, including high-fidelity unsteady turbopump flow analysis. This capability is needed to support the design of pump sub-systems for advanced space transportation vehicles that are likely to involve liquid propulsion systems. To date, computational tools for design/analysis of turbopump flows are based on relatively lower fidelity methods. An unsteady, three-dimensional viscous flow analysis tool involving stationary and rotational components for the entire turbopump assembly has not been available for real-world engineering applications. The present effort provides developers with information such as transient flow phenomena at start up, and non-uniform inflows, and will eventually impact on system vibration and structures. In the proposed paper, the progress toward the capability of complete simulation of the turbo-pump for a liquid rocket engine is reported. The Space Shuttle Main Engine (SSME) turbo-pump is used as a test case for evaluation of the hybrid MPI/Open-MP and MLP versions of the INS3D code. CAD to solution auto-scripting capability is being developed for turbopump applications. The relative motion of the grid systems for the rotor-stator interaction was obtained using overset grid techniques. Unsteady computations for the SSME turbo-pump, which contains 114 zones with 34.5 million grid points, are carried out on Origin 3000 systems at NASA Ames Research Center. Results from these time-accurate simulations with moving boundary capability will be presented along with the performance of parallel versions of the code.

  2. A Three-Dimensional Parallel Time-Accurate Turbopump Simulation Procedure Using Overset Grid System

    NASA Technical Reports Server (NTRS)

    Kiris, Cetin; Chan, William; Kwak, Dochan

    2002-01-01

    The objective of the current effort is to provide a computational framework for design and analysis of the entire fuel supply system of a liquid rocket engine, including high-fidelity unsteady turbopump flow analysis. This capability is needed to support the design of pump sub-systems for advanced space transportation vehicles that are likely to involve liquid propulsion systems. To date, computational tools for design/analysis of turbopump flows are based on relatively lower fidelity methods. An unsteady, three-dimensional viscous flow analysis tool involving stationary and rotational components for the entire turbopump assembly has not been available for real-world engineering applications. The present effort provides developers with information such as transient flow phenomena at start up, and nonuniform inflows, and will eventually impact on system vibration and structures. In the proposed paper, the progress toward the capability of complete simulation of the turbo-pump for a liquid rocket engine is reported. The Space Shuttle Main Engine (SSME) turbo-pump is used as a test case for evaluation of the hybrid MPI/Open-MP and MLP versions of the INS3D code. CAD to solution auto-scripting capability is being developed for turbopump applications. The relative motion of the grid systems for the rotor-stator interaction was obtained using overset grid techniques. Unsteady computations for the SSME turbo-pump, which contains 114 zones with 34.5 million grid points, are carried out on Origin 3000 systems at NASA Ames Research Center. Results from these time-accurate simulations with moving boundary capability are presented along with the performance of parallel versions of the code.

  3. Atomistic simulations of materials: Methods for accurate potentials and realistic time scales

    NASA Astrophysics Data System (ADS)

    Tiwary, Pratyush

    This thesis deals with achieving more realistic atomistic simulations of materials, by developing accurate and robust force-fields, and algorithms for practical time scales. I develop a formalism for generating interatomic potentials for simulating atomistic phenomena occurring at energy scales ranging from lattice vibrations to crystal defects to high-energy collisions. This is done by fitting against an extensive database of ab initio results, as well as to experimental measurements for mixed oxide nuclear fuels. The applicability of these interactions to a variety of mixed environments beyond the fitting domain is also assessed. The employed formalism makes these potentials applicable across all interatomic distances without the need for any ambiguous splining to the well-established short-range Ziegler-Biersack-Littmark universal pair potential. We expect these to be reliable potentials for carrying out damage simulations (and molecular dynamics simulations in general) in nuclear fuels of varying compositions for all relevant atomic collision energies. A hybrid stochastic and deterministic algorithm is proposed that while maintaining fully atomistic resolution, allows one to achieve milliseconds and longer time scales for several thousands of atoms. The method exploits the rare event nature of the dynamics like other such methods, but goes beyond them by (i) not having to pick a scheme for biasing the energy landscape, (ii) providing control on the accuracy of the boosted time scale, (iii) not assuming any harmonic transition state theory (HTST), and (iv) not having to identify collective coordinates or interesting degrees of freedom. The method is validated by calculating diffusion constants for vacancy-mediated diffusion in iron metal at low temperatures, and comparing against brute-force high temperature molecular dynamics. We also calculate diffusion constants for vacancy diffusion in tantalum metal, where we compare against low-temperature HTST as well

  4. Computer Simulation Results for the Two-Point Probability Function of Composite Media

    NASA Astrophysics Data System (ADS)

    Smith, P.; Torquato, S.

    1988-05-01

    Computer simulation results are reported for the two-point matrix probability function S2 of two-phase random media composed of disks distributed with an arbitrary degree of impenetrability λ. The novel technique employed to sample S2( r) (which gives the probability of finding the endpoints of a line segment of length r in the matrix) is very accurate and has a fast execution time. Results for the limiting cases λ = 0 (fully penetrable disks) and λ = 1 (hard disks), respectively, compare very favorably with theoretical predictions made by Torquato and Beasley and by Torquato and Lado. Results are also reported for several values of λ. that lie between these two extremes: cases which heretofore have not been examined.

  5. Clinical results of computerized tomography-based simulation with laser patient marking.

    PubMed

    Ragan, D P; Forman, J D; He, T; Mesina, C F

    1996-02-01

    Accuracy of a patient treatment portal marking device and computerized tomography (CT) simulation have been clinically tested. A CT-based simulator has been assembled based on a commercial CT scanner. This includes visualization software and a computer-controlled laser drawing device. This laser drawing device is used to transfer the setup, central axis, and/or radiation portals from the CT simulator to the patient for appropriate patient skin marking. A protocol for clinical testing is reported. Twenty-five prospectively, sequentially accessioned patients have been analyzed. The simulation process can be completed in an average time of 62 min. Under many cases, the treatment portals can be designed and the patient marked in one session. Mechanical accuracy of the system was found to be within +/- 1mm. The portal projection accuracy in clinical cases is observed to be better than +/- 1.2 mm. Operating costs are equivalent to the conventional simulation process it replaces. Computed tomography simulation is a clinical accurate substitute for conventional simulation when used with an appropriate patient marking system and digitally reconstructed radiographs. Personnel time spent in CT simulation is equivalent to time in conventional simulation.

  6. Influence of photon energy cuts on PET Monte Carlo simulation results.

    PubMed

    Mitev, Krasimir; Gerganov, Georgi; Kirov, Assen S; Schmidtlein, C Ross; Madzhunkov, Yordan; Kawrakow, Iwan

    2012-07-01

    The purpose of this work is to study the influence of photon energy cuts on the results of positron emission tomography (PET) Monte Carlo (MC) simulations. MC simulations of PET scans of a box phantom and the NEMA image quality phantom are performed for 32 photon energy cut values in the interval 0.3-350 keV using a well-validated numerical model of a PET scanner. The simulations are performed with two MC codes, egs_pet and GEANT4 Application for Tomographic Emission (GATE). The effect of photon energy cuts on the recorded number of singles, primary, scattered, random, and total coincidences as well as on the simulation time and noise-equivalent count rate is evaluated by comparing the results for higher cuts to those for 1 keV cut. To evaluate the effect of cuts on the quality of reconstructed images, MC generated sinograms of PET scans of the NEMA image quality phantom are reconstructed with iterative statistical reconstruction. The effects of photon cuts on the contrast recovery coefficients and on the comparison of images by means of commonly used similarity measures are studied. For the scanner investigated in this study, which uses bismuth germanate crystals, the transport of Bi X(K) rays must be simulated in order to obtain unbiased estimates for the number of singles, true, scattered, and random coincidences as well as for an unbiased estimate of the noise-equivalent count rate. Photon energy cuts higher than 170 keV lead to absorption of Compton scattered photons and strongly increase the number of recorded coincidences of all types and the noise-equivalent count rate. The effect of photon cuts on the reconstructed images and the similarity measures used for their comparison is statistically significant for very high cuts (e.g., 350 keV). The simulation time decreases slowly with the increase of the photon cut. The simulation of the transport of characteristic x rays plays an important role, if an accurate modeling of a PET scanner system is to be achieved

  7. Accurate Simulation of Acoustic Emission Sources in Composite Plates

    NASA Technical Reports Server (NTRS)

    Prosser, W. H.; Gorman, M. R.

    1994-01-01

    Acoustic emission (AE) signals propagate as the extensional and flexural plate modes in thin composite plates and plate-like geometries such as shells, pipes, and tubes. The relative amplitude of the two modes depends on the directionality of the source motion. For source motions with large out-of-plane components such as delaminations or particle impact, the flexural or bending plate mode dominates the AE signal with only a small extensional mode detected. A signal from such a source is well simulated with the standard pencil lead break (Hsu-Neilsen source) on the surface of the plate. For other sources such as matrix cracking or fiber breakage in which the source motion is primarily in-plane, the resulting AE signal has a large extensional mode component with little or no flexural mode observed. Signals from these type sources can also be simulated with pencil lead breaks. However, the lead must be fractured on the edge of the plate to generate an in-plane source motion rather than on the surface of the plate. In many applications such as testing of pressure vessels and piping or aircraft structures, a free edge is either not available or not in a desired location for simulation of in-plane type sources. In this research, a method was developed which allows the simulation of AE signals with a predominant extensional mode component in composite plates requiring access to only the surface of the plate.

  8. A hybrid Boundary Element Unstructured Transmission-line (BEUT) method for accurate 2D electromagnetic simulation

    NASA Astrophysics Data System (ADS)

    Simmons, Daniel; Cools, Kristof; Sewell, Phillip

    2016-11-01

    Time domain electromagnetic simulation tools have the ability to model transient, wide-band applications, and non-linear problems. The Boundary Element Method (BEM) and the Transmission Line Modeling (TLM) method are both well established numerical techniques for simulating time-varying electromagnetic fields. The former surface based method can accurately describe outwardly radiating fields from piecewise uniform objects and efficiently deals with large domains filled with homogeneous media. The latter volume based method can describe inhomogeneous and non-linear media and has been proven to be unconditionally stable. Furthermore, the Unstructured TLM (UTLM) enables modelling of geometrically complex objects by using triangular meshes which removes staircasing and unnecessary extensions of the simulation domain. The hybridization of BEM and UTLM which is described in this paper is named the Boundary Element Unstructured Transmission-line (BEUT) method. It incorporates the advantages of both methods. The theory and derivation of the 2D BEUT method is described in this paper, along with any relevant implementation details. The method is corroborated by studying its correctness and efficiency compared to the traditional UTLM method when applied to complex problems such as the transmission through a system of Luneburg lenses and the modelling of antenna radomes for use in wireless communications.

  9. A hybrid Boundary Element Unstructured Transmission-line (BEUT) method for accurate 2D electromagnetic simulation

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Simmons, Daniel, E-mail: daniel.simmons@nottingham.ac.uk; Cools, Kristof; Sewell, Phillip

    Time domain electromagnetic simulation tools have the ability to model transient, wide-band applications, and non-linear problems. The Boundary Element Method (BEM) and the Transmission Line Modeling (TLM) method are both well established numerical techniques for simulating time-varying electromagnetic fields. The former surface based method can accurately describe outwardly radiating fields from piecewise uniform objects and efficiently deals with large domains filled with homogeneous media. The latter volume based method can describe inhomogeneous and non-linear media and has been proven to be unconditionally stable. Furthermore, the Unstructured TLM (UTLM) enables modelling of geometrically complex objects by using triangular meshes which removesmore » staircasing and unnecessary extensions of the simulation domain. The hybridization of BEM and UTLM which is described in this paper is named the Boundary Element Unstructured Transmission-line (BEUT) method. It incorporates the advantages of both methods. The theory and derivation of the 2D BEUT method is described in this paper, along with any relevant implementation details. The method is corroborated by studying its correctness and efficiency compared to the traditional UTLM method when applied to complex problems such as the transmission through a system of Luneburg lenses and the modelling of antenna radomes for use in wireless communications. - Graphical abstract:.« less

  10. Reliable results from stochastic simulation models

    Treesearch

    Donald L., Jr. Gochenour; Leonard R. Johnson

    1973-01-01

    Development of a computer simulation model is usually done without fully considering how long the model should run (e.g. computer time) before the results are reliable. However construction of confidence intervals (CI) about critical output parameters from the simulation model makes it possible to determine the point where model results are reliable. If the results are...

  11. Accurate electrical prediction of memory array through SEM-based edge-contour extraction using SPICE simulation

    NASA Astrophysics Data System (ADS)

    Shauly, Eitan; Rotstein, Israel; Peltinov, Ram; Latinski, Sergei; Adan, Ofer; Levi, Shimon; Menadeva, Ovadya

    2009-03-01

    The continues transistors scaling efforts, for smaller devices, similar (or larger) drive current/um and faster devices, increase the challenge to predict and to control the transistor off-state current. Typically, electrical simulators like SPICE, are using the design intent (as-drawn GDS data). At more sophisticated cases, the simulators are fed with the pattern after lithography and etch process simulations. As the importance of electrical simulation accuracy is increasing and leakage is becoming more dominant, there is a need to feed these simulators, with more accurate information extracted from physical on-silicon transistors. Our methodology to predict changes in device performances due to systematic lithography and etch effects was used in this paper. In general, the methodology consists on using the OPCCmaxTM for systematic Edge-Contour-Extraction (ECE) from transistors, taking along the manufacturing and includes any image distortions like line-end shortening, corner rounding and line-edge roughness. These measurements are used for SPICE modeling. Possible application of this new metrology is to provide a-head of time, physical and electrical statistical data improving time to market. In this work, we applied our methodology to analyze a small and large array's of 2.14um2 6T-SRAM, manufactured using Tower Standard Logic for General Purposes Platform. 4 out of the 6 transistors used "U-Shape AA", known to have higher variability. The predicted electrical performances of the transistors drive current and leakage current, in terms of nominal values and variability are presented. We also used the methodology to analyze an entire SRAM Block array. Study of an isolation leakage and variability are presented.

  12. Accurate Mapping of Multilevel Rydberg Atoms on Interacting Spin-1 /2 Particles for the Quantum Simulation of Ising Models

    NASA Astrophysics Data System (ADS)

    de Léséleuc, Sylvain; Weber, Sebastian; Lienhard, Vincent; Barredo, Daniel; Büchler, Hans Peter; Lahaye, Thierry; Browaeys, Antoine

    2018-03-01

    We study a system of atoms that are laser driven to n D3 /2 Rydberg states and assess how accurately they can be mapped onto spin-1 /2 particles for the quantum simulation of anisotropic Ising magnets. Using nonperturbative calculations of the pair potentials between two atoms in the presence of electric and magnetic fields, we emphasize the importance of a careful selection of experimental parameters in order to maintain the Rydberg blockade and avoid excitation of unwanted Rydberg states. We benchmark these theoretical observations against experiments using two atoms. Finally, we show that in these conditions, the experimental dynamics observed after a quench is in good agreement with numerical simulations of spin-1 /2 Ising models in systems with up to 49 spins, for which numerical simulations become intractable.

  13. Fast and accurate mock catalogue generation for low-mass galaxies

    NASA Astrophysics Data System (ADS)

    Koda, Jun; Blake, Chris; Beutler, Florian; Kazin, Eyal; Marin, Felipe

    2016-06-01

    We present an accurate and fast framework for generating mock catalogues including low-mass haloes, based on an implementation of the COmoving Lagrangian Acceleration (COLA) technique. Multiple realisations of mock catalogues are crucial for analyses of large-scale structure, but conventional N-body simulations are too computationally expensive for the production of thousands of realizations. We show that COLA simulations can produce accurate mock catalogues with a moderate computation resource for low- to intermediate-mass galaxies in 1012 M⊙ haloes, both in real and redshift space. COLA simulations have accurate peculiar velocities, without systematic errors in the velocity power spectra for k ≤ 0.15 h Mpc-1, and with only 3-per cent error for k ≤ 0.2 h Mpc-1. We use COLA with 10 time steps and a Halo Occupation Distribution to produce 600 mock galaxy catalogues of the WiggleZ Dark Energy Survey. Our parallelized code for efficient generation of accurate halo catalogues is publicly available at github.com/junkoda/cola_halo.

  14. Assessing pharmacy students' ability to accurately measure blood pressure using a blood pressure simulator arm.

    PubMed

    Bottenberg, Michelle M; Bryant, Ginelle A; Haack, Sally L; North, Andrew M

    2013-06-12

    To compare student accuracy in measuring normal and high blood pressures using a simulator arm. In this prospective, single-blind, study involving third-year pharmacy students, simulator arms were programmed with prespecified normal and high blood pressures. Students measured preset normal and high diastolic and systolic blood pressure using a crossover design. One hundred sixteen students completed both blood pressure measurements. There was a significant difference between the accuracy of high systolic blood pressure (HSBP) measurement and normal systolic blood pressure (NSBP) measurement (mean HSBP difference 8.4 ± 10.9 mmHg vs NSBP 3.6 ± 6.4 mmHg; p<0.001). However, there was no difference between the accuracy of high diastolic blood pressure (HDBP) measurement and normal diastolic blood pressure (NDBP) measurement (mean HDBP difference 6.8 ± 9.6 mmHg vs. mean NDBP difference 4.6 ± 4.5 mmHg; p=0.089). Pharmacy students may need additional instruction and experience with taking high blood pressure measurements to ensure they are able to accurately assess this important vital sign.

  15. Summarizing Simulation Results using Causally-relevant States

    PubMed Central

    Parikh, Nidhi; Marathe, Madhav; Swarup, Samarth

    2016-01-01

    As increasingly large-scale multiagent simulations are being implemented, new methods are becoming necessary to make sense of the results of these simulations. Even concisely summarizing the results of a given simulation run is a challenge. Here we pose this as the problem of simulation summarization: how to extract the causally-relevant descriptions of the trajectories of the agents in the simulation. We present a simple algorithm to compress agent trajectories through state space by identifying the state transitions which are relevant to determining the distribution of outcomes at the end of the simulation. We present a toy-example to illustrate the working of the algorithm, and then apply it to a complex simulation of a major disaster in an urban area. PMID:28042620

  16. Accurate single-scattering simulation of ice cloud using the invariant-imbedding T-matrix method and the physical-geometric optics method

    NASA Astrophysics Data System (ADS)

    Sun, B.; Yang, P.; Kattawar, G. W.; Zhang, X.

    2017-12-01

    The ice cloud single-scattering properties can be accurately simulated using the invariant-imbedding T-matrix method (IITM) and the physical-geometric optics method (PGOM). The IITM has been parallelized using the Message Passing Interface (MPI) method to remove the memory limitation so that the IITM can be used to obtain the single-scattering properties of ice clouds for sizes in the geometric optics regime. Furthermore, the results associated with random orientations can be analytically achieved once the T-matrix is given. The PGOM is also parallelized in conjunction with random orientations. The single-scattering properties of a hexagonal prism with height 400 (in units of lambda/2*pi, where lambda is the incident wavelength) and an aspect ratio of 1 (defined as the height over two times of bottom side length) are given by using the parallelized IITM and compared to the counterparts using the parallelized PGOM. The two results are in close agreement. Furthermore, the integrated single-scattering properties, including the asymmetry factor, the extinction cross-section, and the scattering cross-section, are given in a completed size range. The present results show a smooth transition from the exact IITM solution to the approximate PGOM result. Because the calculation of the IITM method has reached the geometric regime, the IITM and the PGOM can be efficiently employed to accurately compute the single-scattering properties of ice cloud in a wide spectral range.

  17. Accurate Monitoring and Fault Detection in Wind Measuring Devices through Wireless Sensor Networks

    PubMed Central

    Khan, Komal Saifullah; Tariq, Muhammad

    2014-01-01

    Many wind energy projects report poor performance as low as 60% of the predicted performance. The reason for this is poor resource assessment and the use of new untested technologies and systems in remote locations. Predictions about the potential of an area for wind energy projects (through simulated models) may vary from the actual potential of the area. Hence, introducing accurate site assessment techniques will lead to accurate predictions of energy production from a particular area. We solve this problem by installing a Wireless Sensor Network (WSN) to periodically analyze the data from anemometers installed in that area. After comparative analysis of the acquired data, the anemometers transmit their readings through a WSN to the sink node for analysis. The sink node uses an iterative algorithm which sequentially detects any faulty anemometer and passes the details of the fault to the central system or main station. We apply the proposed technique in simulation as well as in practical implementation and study its accuracy by comparing the simulation results with experimental results to analyze the variation in the results obtained from both simulation model and implemented model. Simulation results show that the algorithm indicates faulty anemometers with high accuracy and low false alarm rate when as many as 25% of the anemometers become faulty. Experimental analysis shows that anemometers incorporating this solution are better assessed and performance level of implemented projects is increased above 86% of the simulated models. PMID:25421739

  18. Can a Rescuer or Simulated Patient Accurately Assess Motion During Cervical Spine Stabilization Practice Sessions?

    PubMed Central

    Shrier, Ian; Boissy, Patrick; Brière, Simon; Mellette, Jay; Fecteau, Luc; Matheson, Gordon O.; Garza, Daniel; Meeuwisse, Willem H.; Segal, Eli; Boulay, John; Steele, Russell J.

    2012-01-01

    Context: Health care providers must be prepared to manage all potential spine injuries as if they are unstable. Therefore, most sport teams devote resources to training for sideline cervical spine (C-spine) emergencies. Objective: To determine (1) how accurately rescuers and simulated patients can assess motion during C-spine stabilization practice and (2) whether providing performance feedback to rescuers influences their choice of stabilization technique. Design: Crossover study. Setting: Training studio. Patients or Other Participants: Athletic trainers, athletic therapists, and physiotherapists experienced at managing suspected C-spine injuries. Intervention(s): Twelve lead rescuers (at the patient's head) performed both the head-squeeze and trap-squeeze C-spine stabilization maneuvers during 4 test scenarios: lift-and-slide and log-roll placement on a spine board and confused patient trying to sit up or rotate the head. Main Outcome Measure(s): Interrater reliability between rescuer and simulated patient quality scores for subjective evaluation of C-spine stabilization during trials (0 = best, 10 = worst), correlation between rescuers' quality scores and objective measures of motion with inertial measurement units, and frequency of change in preference for the head-squeeze versus trap-squeeze maneuver. Results: Although the weighted κ value for interrater reliability was acceptable (0.71–0.74), scores varied by 2 points or more between rescuers and simulated patients for approximately 10% to 15% of trials. Rescuers' scores correlated with objective measures, but variability was large: 38% of trials scored as 0 or 1 by the rescuer involved more than 10° of motion in at least 1 direction. Feedback did not affect the preference for the lift-and-slide placement. For the log-roll placement, 6 of 8 participants who preferred the head squeeze at baseline preferred the trap squeeze after feedback. For the confused patient, 5 of 5 participants initially preferred

  19. Third-order accurate conservative method on unstructured meshes for gasdynamic simulations

    NASA Astrophysics Data System (ADS)

    Shirobokov, D. A.

    2017-04-01

    A third-order accurate finite-volume method on unstructured meshes is proposed for solving viscous gasdynamic problems. The method is described as applied to the advection equation. The accuracy of the method is verified by computing the evolution of a vortex on meshes of various degrees of detail with variously shaped cells. Additionally, unsteady flows around a cylinder and a symmetric airfoil are computed. The numerical results are presented in the form of plots and tables.

  20. SARDA HITL Simulations: System Performance Results

    NASA Technical Reports Server (NTRS)

    Gupta, Gautam

    2012-01-01

    This presentation gives an overview of the 2012 SARDA human-in-the-loop simulation, and presents a summary of system performance results from the simulation, including delay, throughput and fuel consumption

  1. A Simple and Accurate Rate-Driven Infiltration Model

    NASA Astrophysics Data System (ADS)

    Cui, G.; Zhu, J.

    2017-12-01

    In this study, we develop a novel Rate-Driven Infiltration Model (RDIMOD) for simulating infiltration into soils. Unlike traditional methods, RDIMOD avoids numerically solving the highly non-linear Richards equation or simply modeling with empirical parameters. RDIMOD employs infiltration rate as model input to simulate one-dimensional infiltration process by solving an ordinary differential equation. The model can simulate the evolutions of wetting front, infiltration rate, and cumulative infiltration on any surface slope including vertical and horizontal directions. Comparing to the results from the Richards equation for both vertical infiltration and horizontal infiltration, RDIMOD simply and accurately predicts infiltration processes for any type of soils and soil hydraulic models without numerical difficulty. Taking into account the accuracy, capability, and computational effectiveness and stability, RDIMOD can be used in large-scale hydrologic and land-atmosphere modeling.

  2. Achieving perceptually-accurate aural telepresence

    NASA Astrophysics Data System (ADS)

    Henderson, Paul D.

    Immersive multimedia requires not only realistic visual imagery but also a perceptually-accurate aural experience. A sound field may be presented simultaneously to a listener via a loudspeaker rendering system using the direct sound from acoustic sources as well as a simulation or "auralization" of room acoustics. Beginning with classical Wave-Field Synthesis (WFS), improvements are made to correct for asymmetries in loudspeaker array geometry. Presented is a new Spatially-Equalized WFS (SE-WFS) technique to maintain the energy-time balance of a simulated room by equalizing the reproduced spectrum at the listener for a distribution of possible source angles. Each reproduced source or reflection is filtered according to its incidence angle to the listener. An SE-WFS loudspeaker array of arbitrary geometry reproduces the sound field of a room with correct spectral and temporal balance, compared with classically-processed WFS systems. Localization accuracy of human listeners in SE-WFS sound fields is quantified by psychoacoustical testing. At a loudspeaker spacing of 0.17 m (equivalent to an aliasing cutoff frequency of 1 kHz), SE-WFS exhibits a localization blur of 3 degrees, nearly equal to real point sources. Increasing the loudspeaker spacing to 0.68 m (for a cutoff frequency of 170 Hz) results in a blur of less than 5 degrees. In contrast, stereophonic reproduction is less accurate with a blur of 7 degrees. The ventriloquist effect is psychometrically investigated to determine the effect of an intentional directional incongruence between audio and video stimuli. Subjects were presented with prerecorded full-spectrum speech and motion video of a talker's head as well as broadband noise bursts with a static image. The video image was displaced from the audio stimulus in azimuth by varying amounts, and the perceived auditory location measured. A strong bias was detectable for small angular discrepancies between audio and video stimuli for separations of less than 8

  3. Massively Parallel Processing for Fast and Accurate Stamping Simulations

    NASA Astrophysics Data System (ADS)

    Gress, Jeffrey J.; Xu, Siguang; Joshi, Ramesh; Wang, Chuan-tao; Paul, Sabu

    2005-08-01

    The competitive automotive market drives automotive manufacturers to speed up the vehicle development cycles and reduce the lead-time. Fast tooling development is one of the key areas to support fast and short vehicle development programs (VDP). In the past ten years, the stamping simulation has become the most effective validation tool in predicting and resolving all potential formability and quality problems before the dies are physically made. The stamping simulation and formability analysis has become an critical business segment in GM math-based die engineering process. As the simulation becomes as one of the major production tools in engineering factory, the simulation speed and accuracy are the two of the most important measures for stamping simulation technology. The speed and time-in-system of forming analysis becomes an even more critical to support the fast VDP and tooling readiness. Since 1997, General Motors Die Center has been working jointly with our software vendor to develop and implement a parallel version of simulation software for mass production analysis applications. By 2001, this technology was matured in the form of distributed memory processing (DMP) of draw die simulations in a networked distributed memory computing environment. In 2004, this technology was refined to massively parallel processing (MPP) and extended to line die forming analysis (draw, trim, flange, and associated spring-back) running on a dedicated computing environment. The evolution of this technology and the insight gained through the implementation of DM0P/MPP technology as well as performance benchmarks are discussed in this publication.

  4. Accurate modelling of unsteady flows in collapsible tubes.

    PubMed

    Marchandise, Emilie; Flaud, Patrice

    2010-01-01

    The context of this paper is the development of a general and efficient numerical haemodynamic tool to help clinicians and researchers in understanding of physiological flow phenomena. We propose an accurate one-dimensional Runge-Kutta discontinuous Galerkin (RK-DG) method coupled with lumped parameter models for the boundary conditions. The suggested model has already been successfully applied to haemodynamics in arteries and is now extended for the flow in collapsible tubes such as veins. The main difference with cardiovascular simulations is that the flow may become supercritical and elastic jumps may appear with the numerical consequence that scheme may not remain monotone if no limiting procedure is introduced. We show that our second-order RK-DG method equipped with an approximate Roe's Riemann solver and a slope-limiting procedure allows us to capture elastic jumps accurately. Moreover, this paper demonstrates that the complex physics associated with such flows is more accurately modelled than with traditional methods such as finite difference methods or finite volumes. We present various benchmark problems that show the flexibility and applicability of the numerical method. Our solutions are compared with analytical solutions when they are available and with solutions obtained using other numerical methods. Finally, to illustrate the clinical interest, we study the emptying process in a calf vein squeezed by contracting skeletal muscle in a normal and pathological subject. We compare our results with experimental simulations and discuss the sensitivity to parameters of our model.

  5. Modelling the Constraints of Spatial Environment in Fauna Movement Simulations: Comparison of a Boundaries Accurate Function and a Cost Function

    NASA Astrophysics Data System (ADS)

    Jolivet, L.; Cohen, M.; Ruas, A.

    2015-08-01

    Landscape influences fauna movement at different levels, from habitat selection to choices of movements' direction. Our goal is to provide a development frame in order to test simulation functions for animal's movement. We describe our approach for such simulations and we compare two types of functions to calculate trajectories. To do so, we first modelled the role of landscape elements to differentiate between elements that facilitate movements and the ones being hindrances. Different influences are identified depending on landscape elements and on animal species. Knowledge were gathered from ecologists, literature and observation datasets. Second, we analysed the description of animal movement recorded with GPS at fine scale, corresponding to high temporal frequency and good location accuracy. Analysing this type of data provides information on the relation between landscape features and movements. We implemented an agent-based simulation approach to calculate potential trajectories constrained by the spatial environment and individual's behaviour. We tested two functions that consider space differently: one function takes into account the geometry and the types of landscape elements and one cost function sums up the spatial surroundings of an individual. Results highlight the fact that the cost function exaggerates the distances travelled by an individual and simplifies movement patterns. The geometry accurate function represents a good bottom-up approach for discovering interesting areas or obstacles for movements.

  6. Probabilistic techniques for obtaining accurate patient counts in Clinical Data Warehouses

    PubMed Central

    Myers, Risa B.; Herskovic, Jorge R.

    2011-01-01

    Proposal and execution of clinical trials, computation of quality measures and discovery of correlation between medical phenomena are all applications where an accurate count of patients is needed. However, existing sources of this type of patient information, including Clinical Data Warehouses (CDW) may be incomplete or inaccurate. This research explores applying probabilistic techniques, supported by the MayBMS probabilistic database, to obtain accurate patient counts from a clinical data warehouse containing synthetic patient data. We present a synthetic clinical data warehouse (CDW), and populate it with simulated data using a custom patient data generation engine. We then implement, evaluate and compare different techniques for obtaining patients counts. We model billing as a test for the presence of a condition. We compute billing’s sensitivity and specificity both by conducting a “Simulated Expert Review” where a representative sample of records are reviewed and labeled by experts, and by obtaining the ground truth for every record. We compute the posterior probability of a patient having a condition through a “Bayesian Chain”, using Bayes’ Theorem to calculate the probability of a patient having a condition after each visit. The second method is a “one-shot” approach that computes the probability of a patient having a condition based on whether the patient is ever billed for the condition Our results demonstrate the utility of probabilistic approaches, which improve on the accuracy of raw counts. In particular, the simulated review paired with a single application of Bayes’ Theorem produces the best results, with an average error rate of 2.1% compared to 43.7% for the straightforward billing counts. Overall, this research demonstrates that Bayesian probabilistic approaches improve patient counts on simulated patient populations. We believe that total patient counts based on billing data are one of the many possible applications of our

  7. Accurate analytical modeling of junctionless DG-MOSFET by green's function approach

    NASA Astrophysics Data System (ADS)

    Nandi, Ashutosh; Pandey, Nilesh

    2017-11-01

    An accurate analytical model of Junctionless double gate MOSFET (JL-DG-MOSFET) in the subthreshold regime of operation is developed in this work using green's function approach. The approach considers 2-D mixed boundary conditions and multi-zone techniques to provide an exact analytical solution to 2-D Poisson's equation. The Fourier coefficients are calculated correctly to derive the potential equations that are further used to model the channel current and subthreshold slope of the device. The threshold voltage roll-off is computed from parallel shifts of Ids-Vgs curves between the long channel and short-channel devices. It is observed that the green's function approach of solving 2-D Poisson's equation in both oxide and silicon region can accurately predict channel potential, subthreshold current (Isub), threshold voltage (Vt) roll-off and subthreshold slope (SS) of both long & short channel devices designed with different doping concentrations and higher as well as lower tsi/tox ratio. All the analytical model results are verified through comparisons with TCAD Sentaurus simulation results. It is observed that the model matches quite well with TCAD device simulations.

  8. Fast and Accurate Simulation of the Cray XMT Multithreaded Supercomputer

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Villa, Oreste; Tumeo, Antonino; Secchi, Simone

    Irregular applications, such as data mining and analysis or graph-based computations, show unpredictable memory/network access patterns and control structures. Highly multithreaded architectures with large processor counts, like the Cray MTA-1, MTA-2 and XMT, appear to address their requirements better than commodity clusters. However, the research on highly multithreaded systems is currently limited by the lack of adequate architectural simulation infrastructures due to issues such as size of the machines, memory footprint, simulation speed, accuracy and customization. At the same time, Shared-memory MultiProcessors (SMPs) with multi-core processors have become an attractive platform to simulate large scale machines. In this paper, wemore » introduce a cycle-level simulator of the highly multithreaded Cray XMT supercomputer. The simulator runs unmodified XMT applications. We discuss how we tackled the challenges posed by its development, detailing the techniques introduced to make the simulation as fast as possible while maintaining a high accuracy. By mapping XMT processors (ThreadStorm with 128 hardware threads) to host computing cores, the simulation speed remains constant as the number of simulated processors increases, up to the number of available host cores. The simulator supports zero-overhead switching among different accuracy levels at run-time and includes a network model that takes into account contention. On a modern 48-core SMP host, our infrastructure simulates a large set of irregular applications 500 to 2000 times slower than real time when compared to a 128-processor XMT, while remaining within 10\\% of accuracy. Emulation is only from 25 to 200 times slower than real time.« less

  9. An implicit higher-order spatially accurate scheme for solving time dependent flows on unstructured meshes

    NASA Astrophysics Data System (ADS)

    Tomaro, Robert F.

    1998-07-01

    The present research is aimed at developing a higher-order, spatially accurate scheme for both steady and unsteady flow simulations using unstructured meshes. The resulting scheme must work on a variety of general problems to ensure the creation of a flexible, reliable and accurate aerodynamic analysis tool. To calculate the flow around complex configurations, unstructured grids and the associated flow solvers have been developed. Efficient simulations require the minimum use of computer memory and computational times. Unstructured flow solvers typically require more computer memory than a structured flow solver due to the indirect addressing of the cells. The approach taken in the present research was to modify an existing three-dimensional unstructured flow solver to first decrease the computational time required for a solution and then to increase the spatial accuracy. The terms required to simulate flow involving non-stationary grids were also implemented. First, an implicit solution algorithm was implemented to replace the existing explicit procedure. Several test cases, including internal and external, inviscid and viscous, two-dimensional, three-dimensional and axi-symmetric problems, were simulated for comparison between the explicit and implicit solution procedures. The increased efficiency and robustness of modified code due to the implicit algorithm was demonstrated. Two unsteady test cases, a plunging airfoil and a wing undergoing bending and torsion, were simulated using the implicit algorithm modified to include the terms required for a moving and/or deforming grid. Secondly, a higher than second-order spatially accurate scheme was developed and implemented into the baseline code. Third- and fourth-order spatially accurate schemes were implemented and tested. The original dissipation was modified to include higher-order terms and modified near shock waves to limit pre- and post-shock oscillations. The unsteady cases were repeated using the higher

  10. International benchmarking of longitudinal train dynamics simulators: results

    NASA Astrophysics Data System (ADS)

    Wu, Qing; Spiryagin, Maksym; Cole, Colin; Chang, Chongyi; Guo, Gang; Sakalo, Alexey; Wei, Wei; Zhao, Xubao; Burgelman, Nico; Wiersma, Pier; Chollet, Hugues; Sebes, Michel; Shamdani, Amir; Melzi, Stefano; Cheli, Federico; di Gialleonardo, Egidio; Bosso, Nicola; Zampieri, Nicolò; Luo, Shihui; Wu, Honghua; Kaza, Guy-Léon

    2018-03-01

    This paper presents the results of the International Benchmarking of Longitudinal Train Dynamics Simulators which involved participation of nine simulators (TABLDSS, UM, CRE-LTS, TDEAS, PoliTo, TsDyn, CARS, BODYSIM and VOCO) from six countries. Longitudinal train dynamics results and computing time of four simulation cases are presented and compared. The results show that all simulators had basic agreement in simulations of locomotive forces, resistance forces and track gradients. The major differences among different simulators lie in the draft gear models. TABLDSS, UM, CRE-LTS, TDEAS, TsDyn and CARS had general agreement in terms of the in-train forces; minor differences exist as reflections of draft gear model variations. In-train force oscillations were observed in VOCO due to the introduction of wheel-rail contact. In-train force instabilities were sometimes observed in PoliTo and BODYSIM due to the velocity controlled transitional characteristics which could have generated unreasonable transitional stiffness. Regarding computing time per train operational second, the following list is in order of increasing computing speed: VOCO, TsDyn, PoliTO, CARS, BODYSIM, UM, TDEAS, CRE-LTS and TABLDSS (fastest); all simulators except VOCO, TsDyn and PoliTo achieved faster speeds than real-time simulations. Similarly, regarding computing time per integration step, the computing speeds in order are: CRE-LTS, VOCO, CARS, TsDyn, UM, TABLDSS and TDEAS (fastest).

  11. Distribution system simulator

    NASA Technical Reports Server (NTRS)

    Bahrami, K. A.; Kirkham, H.; Rahman, S.

    1986-01-01

    In a series of tests performed under the Department of Energy auspices, power line carrier propagation was observed to be anomalous under certain circumstances. To investigate the cause, a distribution system simulator was constructed. The simulator was a physical simulator that accurately represented the distribution system from below power frequency to above 50 kHz. Effects such as phase-to-phase coupling and skin effect were modeled. Construction details of the simulator, and experimental results from its use are presented.

  12. Cassini radar : system concept and simulation results

    NASA Astrophysics Data System (ADS)

    Melacci, P. T.; Orosei, R.; Picardi, G.; Seu, R.

    1998-10-01

    The Cassini mission is an international venture, involving NASA, the European Space Agency (ESA) and the Italian Space Agency (ASI), for the investigation of the Saturn system and, in particular, Titan. The Cassini radar will be able to see through Titan's thick, optically opaque atmosphere, allowing us to better understand the composition and the morphology of its surface, but the interpretation of the results, due to the complex interplay of many different factors determining the radar echo, will not be possible without an extensive modellization of the radar system functioning and of the surface reflectivity. In this paper, a simulator of the multimode Cassini radar will be described, after a brief review of our current knowledge of Titan and a discussion of the contribution of the Cassini radar in answering to currently open questions. Finally, the results of the simulator will be discussed. The simulator has been implemented on a RISC 6000 computer by considering only the active modes of operation, that is altimeter and synthetic aperture radar. In the instrument simulation, strict reference has been made to the present planned sequence of observations and to the radar settings, including burst and single pulse duration, pulse bandwidth, pulse repetition frequency and all other parameters which may be changed, and possibly optimized, according to the operative mode. The observed surfaces are simulated by a facet model, allowing the generation of surfaces with Gaussian or non-Gaussian roughness statistic, together with the possibility of assigning to the surface an average behaviour which can represent, for instance, a flat surface or a crater. The results of the simulation will be discussed, in order to check the analytical evaluations of the models of the average received echoes and of the attainable performances. In conclusion, the simulation results should allow the validation of the theoretical evaluations of the capabilities of microwave instruments, when

  13. Physical and Numerical Model Studies of Cross-flow Turbines Towards Accurate Parameterization in Array Simulations

    NASA Astrophysics Data System (ADS)

    Wosnik, M.; Bachant, P.

    2014-12-01

    Cross-flow turbines, often referred to as vertical-axis turbines, show potential for success in marine hydrokinetic (MHK) and wind energy applications, ranging from small- to utility-scale installations in tidal/ocean currents and offshore wind. As turbine designs mature, the research focus is shifting from individual devices to the optimization of turbine arrays. It would be expensive and time-consuming to conduct physical model studies of large arrays at large model scales (to achieve sufficiently high Reynolds numbers), and hence numerical techniques are generally better suited to explore the array design parameter space. However, since the computing power available today is not sufficient to conduct simulations of the flow in and around large arrays of turbines with fully resolved turbine geometries (e.g., grid resolution into the viscous sublayer on turbine blades), the turbines' interaction with the energy resource (water current or wind) needs to be parameterized, or modeled. Models used today--a common model is the actuator disk concept--are not able to predict the unique wake structure generated by cross-flow turbines. This wake structure has been shown to create "constructive" interference in some cases, improving turbine performance in array configurations, in contrast with axial-flow, or horizontal axis devices. Towards a more accurate parameterization of cross-flow turbines, an extensive experimental study was carried out using a high-resolution turbine test bed with wake measurement capability in a large cross-section tow tank. The experimental results were then "interpolated" using high-fidelity Navier--Stokes simulations, to gain insight into the turbine's near-wake. The study was designed to achieve sufficiently high Reynolds numbers for the results to be Reynolds number independent with respect to turbine performance and wake statistics, such that they can be reliably extrapolated to full scale and used for model validation. The end product of

  14. Creation of an idealized nasopharynx geometry for accurate computational fluid dynamics simulations of nasal airflow in patient-specific models lacking the nasopharynx anatomy

    PubMed Central

    Borojeni, Azadeh A.T.; Frank-Ito, Dennis O.; Kimbell, Julia S.; Rhee, John S.; Garcia, Guilherme J. M.

    2016-01-01

    Virtual surgery planning based on computational fluid dynamics (CFD) simulations has the potential to improve surgical outcomes for nasal airway obstruction (NAO) patients, but the benefits of virtual surgery planning must outweigh the risks of radiation exposure. Cone beam computed tomography (CBCT) scans represent an attractive imaging modality for virtual surgery planning due to lower costs and lower radiation exposures compared with conventional CT scans. However, to minimize the radiation exposure, the CBCT sinusitis protocol sometimes images only the nasal cavity, excluding the nasopharynx. The goal of this study was to develop an idealized nasopharynx geometry for accurate representation of outlet boundary conditions when the nasopharynx geometry is unavailable. Anatomically-accurate models of the nasopharynx created from thirty CT scans were intersected with planes rotated at different angles to obtain an average geometry. Cross sections of the idealized nasopharynx were approximated as ellipses with cross-sectional areas and aspect ratios equal to the average in the actual patient-specific models. CFD simulations were performed to investigate whether nasal airflow patterns were affected when the CT-based nasopharynx was replaced by the idealized nasopharynx in 10 NAO patients. Despite the simple form of the idealized geometry, all biophysical variables (nasal resistance, airflow rate, and heat fluxes) were very similar in the idealized vs. patient-specific models. The results confirmed the expectation that the nasopharynx geometry has a minimal effect in the nasal airflow patterns during inspiration. The idealized nasopharynx geometry will be useful in future CFD studies of nasal airflow based on medical images that exclude the nasopharynx. PMID:27525807

  15. Accurate Monte Carlo simulations for nozzle design, commissioning and quality assurance for a proton radiation therapy facility.

    PubMed

    Paganetti, H; Jiang, H; Lee, S Y; Kooy, H M

    2004-07-01

    Monte Carlo dosimetry calculations are essential methods in radiation therapy. To take full advantage of this tool, the beam delivery system has to be simulated in detail and the initial beam parameters have to be known accurately. The modeling of the beam delivery system itself opens various areas where Monte Carlo calculations prove extremely helpful, such as for design and commissioning of a therapy facility as well as for quality assurance verification. The gantry treatment nozzles at the Northeast Proton Therapy Center (NPTC) at Massachusetts General Hospital (MGH) were modeled in detail using the GEANT4.5.2 Monte Carlo code. For this purpose, various novel solutions for simulating irregular shaped objects in the beam path, like contoured scatterers, patient apertures or patient compensators, were found. The four-dimensional, in time and space, simulation of moving parts, such as the modulator wheel, was implemented. Further, the appropriate physics models and cross sections for proton therapy applications were defined. We present comparisons between measured data and simulations. These show that by modeling the treatment nozzle with millimeter accuracy, it is possible to reproduce measured dose distributions with an accuracy in range and modulation width, in the case of a spread-out Bragg peak (SOBP), of better than 1 mm. The excellent agreement demonstrates that the simulations can even be used to generate beam data for commissioning treatment planning systems. The Monte Carlo nozzle model was used to study mechanical optimization in terms of scattered radiation and secondary radiation in the design of the nozzles. We present simulations on the neutron background. Further, the Monte Carlo calculations supported commissioning efforts in understanding the sensitivity of beam characteristics and how these influence the dose delivered. We present the sensitivity of dose distributions in water with respect to various beam parameters and geometrical misalignments

  16. Petascale self-consistent electromagnetic computations using scalable and accurate algorithms for complex structures

    NASA Astrophysics Data System (ADS)

    Cary, John R.; Abell, D.; Amundson, J.; Bruhwiler, D. L.; Busby, R.; Carlsson, J. A.; Dimitrov, D. A.; Kashdan, E.; Messmer, P.; Nieter, C.; Smithe, D. N.; Spentzouris, P.; Stoltz, P.; Trines, R. M.; Wang, H.; Werner, G. R.

    2006-09-01

    As the size and cost of particle accelerators escalate, high-performance computing plays an increasingly important role; optimization through accurate, detailed computermodeling increases performance and reduces costs. But consequently, computer simulations face enormous challenges. Early approximation methods, such as expansions in distance from the design orbit, were unable to supply detailed accurate results, such as in the computation of wake fields in complex cavities. Since the advent of message-passing supercomputers with thousands of processors, earlier approximations are no longer necessary, and it is now possible to compute wake fields, the effects of dampers, and self-consistent dynamics in cavities accurately. In this environment, the focus has shifted towards the development and implementation of algorithms that scale to large numbers of processors. So-called charge-conserving algorithms evolve the electromagnetic fields without the need for any global solves (which are difficult to scale up to many processors). Using cut-cell (or embedded) boundaries, these algorithms can simulate the fields in complex accelerator cavities with curved walls. New implicit algorithms, which are stable for any time-step, conserve charge as well, allowing faster simulation of structures with details small compared to the characteristic wavelength. These algorithmic and computational advances have been implemented in the VORPAL7 Framework, a flexible, object-oriented, massively parallel computational application that allows run-time assembly of algorithms and objects, thus composing an application on the fly.

  17. Accurate ensemble molecular dynamics binding free energy ranking of multidrug-resistant HIV-1 proteases.

    PubMed

    Sadiq, S Kashif; Wright, David W; Kenway, Owain A; Coveney, Peter V

    2010-05-24

    Accurate calculation of important thermodynamic properties, such as macromolecular binding free energies, is one of the principal goals of molecular dynamics simulations. However, single long simulation frequently produces incorrectly converged quantitative results due to inadequate sampling of conformational space in a feasible wall-clock time. Multiple short (ensemble) simulations have been shown to explore conformational space more effectively than single long simulations, but the two methods have not yet been thermodynamically compared. Here we show that, for end-state binding free energy determination methods, ensemble simulations exhibit significantly enhanced thermodynamic sampling over single long simulations and result in accurate and converged relative binding free energies that are reproducible to within 0.5 kcal/mol. Completely correct ranking is obtained for six HIV-1 protease variants bound to lopinavir with a correlation coefficient of 0.89 and a mean relative deviation from experiment of 0.9 kcal/mol. Multidrug resistance to lopinavir is enthalpically driven and increases through a decrease in the protein-ligand van der Waals interaction, principally due to the V82A/I84V mutation, and an increase in net electrostatic repulsion due to water-mediated disruption of protein-ligand interactions in the catalytic region. Furthermore, we correctly rank, to within 1 kcal/mol of experiment, the substantially increased chemical potency of lopinavir binding to the wild-type protease compared to saquinavir and show that lopinavir takes advantage of a decreased net electrostatic repulsion to confer enhanced binding. Our approach is dependent on the combined use of petascale computing resources and on an automated simulation workflow to attain the required level of sampling and turn around time to obtain the results, which can be as little as three days. This level of performance promotes integration of such methodology with clinical decision support systems for

  18. Design optimization for accurate flow simulations in 3D printed vascular phantoms derived from computed tomography angiography

    NASA Astrophysics Data System (ADS)

    Sommer, Kelsey; Izzo, Rick L.; Shepard, Lauren; Podgorsak, Alexander R.; Rudin, Stephen; Siddiqui, Adnan H.; Wilson, Michael F.; Angel, Erin; Said, Zaid; Springer, Michael; Ionita, Ciprian N.

    2017-03-01

    3D printing has been used to create complex arterial phantoms to advance device testing and physiological condition evaluation. Stereolithographic (STL) files of patient-specific cardiovascular anatomy are acquired to build cardiac vasculature through advanced mesh-manipulation techniques. Management of distal branches in the arterial tree is important to make such phantoms practicable. We investigated methods to manage the distal arterial flow resistance and pressure thus creating physiologically and geometrically accurate phantoms that can be used for simulations of image-guided interventional procedures with new devices. Patient specific CT data were imported into a Vital Imaging workstation, segmented, and exported as STL files. Using a mesh-manipulation program (Meshmixer) we created flow models of the coronary tree. Distal arteries were connected to a compliance chamber. The phantom was then printed using a Stratasys Connex3 multimaterial printer: the vessel in TangoPlus and the fluid flow simulation chamber in Vero. The model was connected to a programmable pump and pressure sensors measured flow characteristics through the phantoms. Physiological flow simulations for patient-specific vasculature were done for six cardiac models (three different vasculatures comparing two new designs). For the coronary phantom we obtained physiologically relevant waves which oscillated between 80 and 120 mmHg and a flow rate of 125 ml/min, within the literature reported values. The pressure wave was similar with those acquired in human patients. Thus we demonstrated that 3D printed phantoms can be used not only to reproduce the correct patient anatomy for device testing in image-guided interventions, but also for physiological simulations. This has great potential to advance treatment assessment and diagnosis.

  19. Accurate time delay technology in simulated test for high precision laser range finder

    NASA Astrophysics Data System (ADS)

    Chen, Zhibin; Xiao, Wenjian; Wang, Weiming; Xue, Mingxi

    2015-10-01

    With the continuous development of technology, the ranging accuracy of pulsed laser range finder (LRF) is higher and higher, so the maintenance demand of LRF is also rising. According to the dominant ideology of "time analog spatial distance" in simulated test for pulsed range finder, the key of distance simulation precision lies in the adjustable time delay. By analyzing and comparing the advantages and disadvantages of fiber and circuit delay, a method was proposed to improve the accuracy of the circuit delay without increasing the count frequency of the circuit. A high precision controllable delay circuit was designed by combining the internal delay circuit and external delay circuit which could compensate the delay error in real time. And then the circuit delay accuracy could be increased. The accuracy of the novel circuit delay methods proposed in this paper was actually measured by a high sampling rate oscilloscope actual measurement. The measurement result shows that the accuracy of the distance simulated by the circuit delay is increased from +/- 0.75m up to +/- 0.15m. The accuracy of the simulated distance is greatly improved in simulated test for high precision pulsed range finder.

  20. Numerical Methodology for Coupled Time-Accurate Simulations of Primary and Secondary Flowpaths in Gas Turbines

    NASA Technical Reports Server (NTRS)

    Przekwas, A. J.; Athavale, M. M.; Hendricks, R. C.; Steinetz, B. M.

    2006-01-01

    Detailed information of the flow-fields in the secondary flowpaths and their interaction with the primary flows in gas turbine engines is necessary for successful designs with optimized secondary flow streams. Present work is focused on the development of a simulation methodology for coupled time-accurate solutions of the two flowpaths. The secondary flowstream is treated using SCISEAL, an unstructured adaptive Cartesian grid code developed for secondary flows and seals, while the mainpath flow is solved using TURBO, a density based code with capability of resolving rotor-stator interaction in multi-stage machines. An interface is being tested that links the two codes at the rim seal to allow data exchange between the two codes for parallel, coupled execution. A description of the coupling methodology and the current status of the interface development is presented. Representative steady-state solutions of the secondary flow in the UTRC HP Rig disc cavity are also presented.

  1. Low-dimensional, morphologically accurate models of subthreshold membrane potential

    PubMed Central

    Kellems, Anthony R.; Roos, Derrick; Xiao, Nan; Cox, Steven J.

    2009-01-01

    The accurate simulation of a neuron’s ability to integrate distributed synaptic input typically requires the simultaneous solution of tens of thousands of ordinary differential equations. For, in order to understand how a cell distinguishes between input patterns we apparently need a model that is biophysically accurate down to the space scale of a single spine, i.e., 1 μm. We argue here that one can retain this highly detailed input structure while dramatically reducing the overall system dimension if one is content to accurately reproduce the associated membrane potential at a small number of places, e.g., at the site of action potential initiation, under subthreshold stimulation. The latter hypothesis permits us to approximate the active cell model with an associated quasi-active model, which in turn we reduce by both time-domain (Balanced Truncation) and frequency-domain (ℋ2 approximation of the transfer function) methods. We apply and contrast these methods on a suite of typical cells, achieving up to four orders of magnitude in dimension reduction and an associated speed-up in the simulation of dendritic democratization and resonance. We also append a threshold mechanism and indicate that this reduction has the potential to deliver an accurate quasi-integrate and fire model. PMID:19172386

  2. In pursuit of an accurate spatial and temporal model of biomolecules at the atomistic level: a perspective on computer simulation.

    PubMed

    Gray, Alan; Harlen, Oliver G; Harris, Sarah A; Khalid, Syma; Leung, Yuk Ming; Lonsdale, Richard; Mulholland, Adrian J; Pearson, Arwen R; Read, Daniel J; Richardson, Robin A

    2015-01-01

    Despite huge advances in the computational techniques available for simulating biomolecules at the quantum-mechanical, atomistic and coarse-grained levels, there is still a widespread perception amongst the experimental community that these calculations are highly specialist and are not generally applicable by researchers outside the theoretical community. In this article, the successes and limitations of biomolecular simulation and the further developments that are likely in the near future are discussed. A brief overview is also provided of the experimental biophysical methods that are commonly used to probe biomolecular structure and dynamics, and the accuracy of the information that can be obtained from each is compared with that from modelling. It is concluded that progress towards an accurate spatial and temporal model of biomacromolecules requires a combination of all of these biophysical techniques, both experimental and computational.

  3. A hierarchy of models for simulating experimental results from a 3D heterogeneous porous medium

    NASA Astrophysics Data System (ADS)

    Vogler, Daniel; Ostvar, Sassan; Paustian, Rebecca; Wood, Brian D.

    2018-04-01

    In this work we examine the dispersion of conservative tracers (bromide and fluorescein) in an experimentally-constructed three-dimensional dual-porosity porous medium. The medium is highly heterogeneous (σY2 = 5.7), and consists of spherical, low-hydraulic-conductivity inclusions embedded in a high-hydraulic-conductivity matrix. The bimodal medium was saturated with tracers, and then flushed with tracer-free fluid while the effluent breakthrough curves were measured. The focus for this work is to examine a hierarchy of four models (in the absence of adjustable parameters) with decreasing complexity to assess their ability to accurately represent the measured breakthrough curves. The most information-rich model was (1) a direct numerical simulation of the system in which the geometry, boundary and initial conditions, and medium properties were fully independently characterized experimentally with high fidelity. The reduced-information models included; (2) a simplified numerical model identical to the fully-resolved direct numerical simulation (DNS) model, but using a domain that was one-tenth the size; (3) an upscaled mobile-immobile model that allowed for a time-dependent mass-transfer coefficient; and, (4) an upscaled mobile-immobile model that assumed a space-time constant mass-transfer coefficient. The results illustrated that all four models provided accurate representations of the experimental breakthrough curves as measured by global RMS error. The primary component of error induced in the upscaled models appeared to arise from the neglect of convection within the inclusions. We discuss the necessity to assign value (via a utility function or other similar method) to outcomes if one is to further select from among model options. Interestingly, these results suggested that the conventional convection-dispersion equation, when applied in a way that resolves the heterogeneities, yields models with high fidelity without requiring the imposition of a more

  4. Modifying scoping codes to accurately calculate TMI-cores with lifetimes greater than 500 effective full-power days

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bai, D.; Levine, S.L.; Luoma, J.

    1992-01-01

    The Three Mile Island unit 1 core reloads have been designed using fast but accurate scoping codes, PSUI-LEOPARD and ADMARC. PSUI-LEOPARD has been normalized to EPRI-CPM2 results and used to calculate the two-group constants, whereas ADMARC is a modern two-dimensional, two-group diffusion theory nodal code. Problems in accuracy were encountered for cycles 8 and higher as the core lifetime was increased beyond 500 effective full-power days. This is because the heavier loaded cores in both {sup 235}U and {sup 10}B have harder neutron spectra, which produces a change in the transport effect in the baffle reflector region, and the burnablemore » poison (BP) simulations were not accurate enough for the cores containing the increased amount of {sup 10}B required in the BP rods. In the authors study, a technique has been developed to take into account the change in the transport effect in the baffle region by modifying the fast neutron diffusion coefficient as a function of cycle length and core exposure or burnup. A more accurate BP simulation method is also developed, using integral transport theory and CPM2 data, to calculate the BP contribution to the equivalent fuel assembly (supercell) two-group constants. The net result is that the accuracy of the scoping codes is as good as that produced by CASMO/SIMULATE or CPM2/SIMULATE when comparing with measured data.« less

  5. Numerical simulation and analysis of accurate blood oxygenation measurement by using optical resolution photoacoustic microscopy

    NASA Astrophysics Data System (ADS)

    Yu, Tianhao; Li, Qian; Li, Lin; Zhou, Chuanqing

    2016-10-01

    Accuracy of photoacoustic signal is the crux on measurement of oxygen saturation in functional photoacoustic imaging, which is influenced by factors such as defocus of laser beam, curve shape of large vessels and nonlinear saturation effect of optical absorption in biological tissues. We apply Monte Carlo model to simulate energy deposition in tissues and obtain photoacoustic signals reaching a simulated focused surface detector to investigate corresponding influence of these factors. We also apply compensation on photoacoustic imaging of in vivo cat cerebral cortex blood vessels, in which signals from different lateral positions of vessels are corrected based on simulation results. And this process on photoacoustic images can improve the smoothness and accuracy of oxygen saturation results.

  6. Time-Accurate Numerical Prediction of Free Flight Aerodynamics of a Finned Projectile

    DTIC Science & Technology

    2005-09-01

    develop (with fewer dollars) more lethal and effective munitions. The munitions must stay abreast of the latest technology available to our...consuming. Computer simulations can and have provided an effective means of determining the unsteady aerodynamics and flight mechanics of guided projectile...Recently, the time-accurate technique was used to obtain improved results for Magnus moment and roll damping moment of a spinning projectile at transonic

  7. Simulating the interaction of the heliosphere with the local interstellar medium: MHD results from a finite volume approach, first bidimensional results

    NASA Technical Reports Server (NTRS)

    Chanteur, G.; Khanfir, R.

    1995-01-01

    We have designed a full compressible MHD code working on unstructured meshes in order to be able to compute accurately sharp structures embedded in large scale simulations. The code is based on a finite volume method making use of a kinetic flux splitting. A bidimensional version of the code has been used to simulate the interaction of a moving interstellar medium, magnetized or unmagnetized with a rotating and magnetized heliopspheric plasma source. Being aware that these computations are not realistic due to the restriction to two dimensions, we present it to demonstrate the ability of this new code to handle this problem. An axisymetric version, now under development, will be operational in a few months. Ultimately we plan to run a full 3d version.

  8. Presenting simulation results in a nested loop plot.

    PubMed

    Rücker, Gerta; Schwarzer, Guido

    2014-12-12

    Statisticians investigate new methods in simulations to evaluate their properties for future real data applications. Results are often presented in a number of figures, e.g., Trellis plots. We had conducted a simulation study on six statistical methods for estimating the treatment effect in binary outcome meta-analyses, where selection bias (e.g., publication bias) was suspected because of apparent funnel plot asymmetry. We varied five simulation parameters: true treatment effect, extent of selection, event proportion in control group, heterogeneity parameter, and number of studies in meta-analysis. In combination, this yielded a total number of 768 scenarios. To present all results using Trellis plots, 12 figures were needed. Choosing bias as criterion of interest, we present a 'nested loop plot', a diagram type that aims to have all simulation results in one plot. The idea was to bring all scenarios into a lexicographical order and arrange them consecutively on the horizontal axis of a plot, whereas the treatment effect estimate is presented on the vertical axis. The plot illustrates how parameters simultaneously influenced the estimate. It can be combined with a Trellis plot in a so-called hybrid plot. Nested loop plots may also be applied to other criteria such as the variance of estimation. The nested loop plot, similar to a time series graph, summarizes all information about the results of a simulation study with respect to a chosen criterion in one picture and provides a suitable alternative or an addition to Trellis plots.

  9. Influence of Contact Angle Boundary Condition on CFD Simulation of T-Junction

    NASA Astrophysics Data System (ADS)

    Arias, S.; Montlaur, A.

    2018-03-01

    In this work, we study the influence of the contact angle boundary condition on 3D CFD simulations of the bubble generation process occurring in a capillary T-junction. Numerical simulations have been performed with the commercial Computational Fluid Dynamics solver ANSYS Fluent v15.0.7. Experimental results serve as a reference to validate numerical results for four independent parameters: the bubble generation frequency, volume, velocity and length. CFD simulations accurately reproduce experimental results both from qualitative and quantitative points of view. Numerical results are very sensitive to the gas-liquid-wall contact angle boundary conditions, confirming that this is a fundamental parameter to obtain accurate CFD results for simulations of this kind of problems.

  10. Research on the Rapid and Accurate Positioning and Orientation Approach for Land Missile-Launching Vehicle

    PubMed Central

    Li, Kui; Wang, Lei; Lv, Yanhong; Gao, Pengyu; Song, Tianxiao

    2015-01-01

    Getting a land vehicle’s accurate position, azimuth and attitude rapidly is significant for vehicle based weapons’ combat effectiveness. In this paper, a new approach to acquire vehicle’s accurate position and orientation is proposed. It uses biaxial optical detection platform (BODP) to aim at and lock in no less than three pre-set cooperative targets, whose accurate positions are measured beforehand. Then, it calculates the vehicle’s accurate position, azimuth and attitudes by the rough position and orientation provided by vehicle based navigation systems and no less than three couples of azimuth and pitch angles measured by BODP. The proposed approach does not depend on Global Navigation Satellite System (GNSS), thus it is autonomous and difficult to interfere. Meanwhile, it only needs a rough position and orientation as algorithm’s iterative initial value, consequently, it does not have high performance requirement for Inertial Navigation System (INS), odometer and other vehicle based navigation systems, even in high precise applications. This paper described the system’s working procedure, presented theoretical deviation of the algorithm, and then verified its effectiveness through simulation and vehicle experiments. The simulation and experimental results indicate that the proposed approach can achieve positioning and orientation accuracy of 0.2 m and 20″ respectively in less than 3 min. PMID:26492249

  11. Research on the rapid and accurate positioning and orientation approach for land missile-launching vehicle.

    PubMed

    Li, Kui; Wang, Lei; Lv, Yanhong; Gao, Pengyu; Song, Tianxiao

    2015-10-20

    Getting a land vehicle's accurate position, azimuth and attitude rapidly is significant for vehicle based weapons' combat effectiveness. In this paper, a new approach to acquire vehicle's accurate position and orientation is proposed. It uses biaxial optical detection platform (BODP) to aim at and lock in no less than three pre-set cooperative targets, whose accurate positions are measured beforehand. Then, it calculates the vehicle's accurate position, azimuth and attitudes by the rough position and orientation provided by vehicle based navigation systems and no less than three couples of azimuth and pitch angles measured by BODP. The proposed approach does not depend on Global Navigation Satellite System (GNSS), thus it is autonomous and difficult to interfere. Meanwhile, it only needs a rough position and orientation as algorithm's iterative initial value, consequently, it does not have high performance requirement for Inertial Navigation System (INS), odometer and other vehicle based navigation systems, even in high precise applications. This paper described the system's working procedure, presented theoretical deviation of the algorithm, and then verified its effectiveness through simulation and vehicle experiments. The simulation and experimental results indicate that the proposed approach can achieve positioning and orientation accuracy of 0.2 m and 20″ respectively in less than 3 min.

  12. Impacts of building geometry modeling methods on the simulation results of urban building energy models

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chen, Yixing; Hong, Tianzhen

    We present that urban-scale building energy modeling (UBEM)—using building modeling to understand how a group of buildings will perform together—is attracting increasing attention in the energy modeling field. Unlike modeling a single building, which will use detailed information, UBEM generally uses existing building stock data consisting of high-level building information. This study evaluated the impacts of three zoning methods and the use of floor multipliers on the simulated energy use of 940 office and retail buildings in three climate zones using City Building Energy Saver. The first zoning method, OneZone, creates one thermal zone per floor using the target building'smore » footprint. The second zoning method, AutoZone, splits the building's footprint into perimeter and core zones. A novel, pixel-based automatic zoning algorithm is developed for the AutoZone method. The third zoning method, Prototype, uses the U.S. Department of Energy's reference building prototype shapes. Results show that simulated source energy use of buildings with the floor multiplier are marginally higher by up to 2.6% than those modeling each floor explicitly, which take two to three times longer to run. Compared with the AutoZone method, the OneZone method results in decreased thermal loads and less equipment capacities: 15.2% smaller fan capacity, 11.1% smaller cooling capacity, 11.0% smaller heating capacity, 16.9% less heating loads, and 7.5% less cooling loads. Source energy use differences range from -7.6% to 5.1%. When comparing the Prototype method with the AutoZone method, source energy use differences range from -12.1% to 19.0%, and larger ranges of differences are found for the thermal loads and equipment capacities. This study demonstrated that zoning methods have a significant impact on the simulated energy use of UBEM. Finally, one recommendation resulting from this study is to use the AutoZone method with floor multiplier to obtain accurate results while

  13. Impacts of building geometry modeling methods on the simulation results of urban building energy models

    DOE PAGES

    Chen, Yixing; Hong, Tianzhen

    2018-02-20

    We present that urban-scale building energy modeling (UBEM)—using building modeling to understand how a group of buildings will perform together—is attracting increasing attention in the energy modeling field. Unlike modeling a single building, which will use detailed information, UBEM generally uses existing building stock data consisting of high-level building information. This study evaluated the impacts of three zoning methods and the use of floor multipliers on the simulated energy use of 940 office and retail buildings in three climate zones using City Building Energy Saver. The first zoning method, OneZone, creates one thermal zone per floor using the target building'smore » footprint. The second zoning method, AutoZone, splits the building's footprint into perimeter and core zones. A novel, pixel-based automatic zoning algorithm is developed for the AutoZone method. The third zoning method, Prototype, uses the U.S. Department of Energy's reference building prototype shapes. Results show that simulated source energy use of buildings with the floor multiplier are marginally higher by up to 2.6% than those modeling each floor explicitly, which take two to three times longer to run. Compared with the AutoZone method, the OneZone method results in decreased thermal loads and less equipment capacities: 15.2% smaller fan capacity, 11.1% smaller cooling capacity, 11.0% smaller heating capacity, 16.9% less heating loads, and 7.5% less cooling loads. Source energy use differences range from -7.6% to 5.1%. When comparing the Prototype method with the AutoZone method, source energy use differences range from -12.1% to 19.0%, and larger ranges of differences are found for the thermal loads and equipment capacities. This study demonstrated that zoning methods have a significant impact on the simulated energy use of UBEM. Finally, one recommendation resulting from this study is to use the AutoZone method with floor multiplier to obtain accurate results while

  14. Automated Development of Accurate Algorithms and Efficient Codes for Computational Aeroacoustics

    NASA Technical Reports Server (NTRS)

    Goodrich, John W.; Dyson, Rodger W.

    1999-01-01

    The simulation of sound generation and propagation in three space dimensions with realistic aircraft components is a very large time dependent computation with fine details. Simulations in open domains with embedded objects require accurate and robust algorithms for propagation, for artificial inflow and outflow boundaries, and for the definition of geometrically complex objects. The development, implementation, and validation of methods for solving these demanding problems is being done to support the NASA pillar goals for reducing aircraft noise levels. Our goal is to provide algorithms which are sufficiently accurate and efficient to produce usable results rapidly enough to allow design engineers to study the effects on sound levels of design changes in propulsion systems, and in the integration of propulsion systems with airframes. There is a lack of design tools for these purposes at this time. Our technical approach to this problem combines the development of new, algorithms with the use of Mathematica and Unix utilities to automate the algorithm development, code implementation, and validation. We use explicit methods to ensure effective implementation by domain decomposition for SPMD parallel computing. There are several orders of magnitude difference in the computational efficiencies of the algorithms which we have considered. We currently have new artificial inflow and outflow boundary conditions that are stable, accurate, and unobtrusive, with implementations that match the accuracy and efficiency of the propagation methods. The artificial numerical boundary treatments have been proven to have solutions which converge to the full open domain problems, so that the error from the boundary treatments can be driven as low as is required. The purpose of this paper is to briefly present a method for developing highly accurate algorithms for computational aeroacoustics, the use of computer automation in this process, and a brief survey of the algorithms that

  15. An Accurate and Computationally Efficient Model for Membrane-Type Circular-Symmetric Micro-Hotplates

    PubMed Central

    Khan, Usman; Falconi, Christian

    2014-01-01

    Ideally, the design of high-performance micro-hotplates would require a large number of simulations because of the existence of many important design parameters as well as the possibly crucial effects of both spread and drift. However, the computational cost of FEM simulations, which are the only available tool for accurately predicting the temperature in micro-hotplates, is very high. As a result, micro-hotplate designers generally have no effective simulation-tools for the optimization. In order to circumvent these issues, here, we propose a model for practical circular-symmetric micro-hot-plates which takes advantage of modified Bessel functions, computationally efficient matrix-approach for considering the relevant boundary conditions, Taylor linearization for modeling the Joule heating and radiation losses, and external-region-segmentation strategy in order to accurately take into account radiation losses in the entire micro-hotplate. The proposed model is almost as accurate as FEM simulations and two to three orders of magnitude more computationally efficient (e.g., 45 s versus more than 8 h). The residual errors, which are mainly associated to the undesired heating in the electrical contacts, are small (e.g., few degrees Celsius for an 800 °C operating temperature) and, for important analyses, almost constant. Therefore, we also introduce a computationally-easy single-FEM-compensation strategy in order to reduce the residual errors to about 1 °C. As illustrative examples of the power of our approach, we report the systematic investigation of a spread in the membrane thermal conductivity and of combined variations of both ambient and bulk temperatures. Our model enables a much faster characterization of micro-hotplates and, thus, a much more effective optimization prior to fabrication. PMID:24763214

  16. Extracting Time-Accurate Acceleration Vectors From Nontrivial Accelerometer Arrangements.

    PubMed

    Franck, Jennifer A; Blume, Janet; Crisco, Joseph J; Franck, Christian

    2015-09-01

    Sports-related concussions are of significant concern in many impact sports, and their detection relies on accurate measurements of the head kinematics during impact. Among the most prevalent recording technologies are videography, and more recently, the use of single-axis accelerometers mounted in a helmet, such as the HIT system. Successful extraction of the linear and angular impact accelerations depends on an accurate analysis methodology governed by the equations of motion. Current algorithms are able to estimate the magnitude of acceleration and hit location, but make assumptions about the hit orientation and are often limited in the position and/or orientation of the accelerometers. The newly formulated algorithm presented in this manuscript accurately extracts the full linear and rotational acceleration vectors from a broad arrangement of six single-axis accelerometers directly from the governing set of kinematic equations. The new formulation linearizes the nonlinear centripetal acceleration term with a finite-difference approximation and provides a fast and accurate solution for all six components of acceleration over long time periods (>250 ms). The approximation of the nonlinear centripetal acceleration term provides an accurate computation of the rotational velocity as a function of time and allows for reconstruction of a multiple-impact signal. Furthermore, the algorithm determines the impact location and orientation and can distinguish between glancing, high rotational velocity impacts, or direct impacts through the center of mass. Results are shown for ten simulated impact locations on a headform geometry computed with three different accelerometer configurations in varying degrees of signal noise. Since the algorithm does not require simplifications of the actual impacted geometry, the impact vector, or a specific arrangement of accelerometer orientations, it can be easily applied to many impact investigations in which accurate kinematics need

  17. Improving the result of forcasting using reservoir and surface network simulation

    NASA Astrophysics Data System (ADS)

    Hendri, R. S.; Winarta, J.

    2018-01-01

    This study was aimed to get more representative results in production forcasting using integrated simulation in pipeline gathering system of X field. There are 5 main scenarios which consist of the production forecast of the existing condition, work over, and infill drilling. Then, it’s determined the best development scenario. The methods of this study is Integrated Reservoir Simulator and Pipeline Simulator so-calle as Integrated Reservoir and Surface Network Simulation. After well data result from reservoir simulator was then integrated with pipeline networking simulator’s to construct a new schedule, which was input for all simulation procedure. The well design result was done by well modeling simulator then exported into pipeline simulator. Reservoir prediction depends on the minimum value of Tubing Head Pressure (THP) for each well, where the pressure drop on the Gathering Network is not necessary calculated. The same scenario was done also for the single-reservoir simulation. Integration Simulation produces results approaching the actual condition of the reservoir and was confirmed by the THP profile, which difference between those two methods. The difference between integrated simulation compared to single-modeling simulation is 6-9%. The aimed of solving back-pressure problem in pipeline gathering system of X field is achieved.

  18. Implementation and evaluation of the Level Set method: Towards efficient and accurate simulation of wet etching for microengineering applications

    NASA Astrophysics Data System (ADS)

    Montoliu, C.; Ferrando, N.; Gosálvez, M. A.; Cerdá, J.; Colom, R. J.

    2013-10-01

    The use of atomistic methods, such as the Continuous Cellular Automaton (CCA), is currently regarded as a computationally efficient and experimentally accurate approach for the simulation of anisotropic etching of various substrates in the manufacture of Micro-electro-mechanical Systems (MEMS). However, when the features of the chemical process are modified, a time-consuming calibration process needs to be used to transform the new macroscopic etch rates into a corresponding set of atomistic rates. Furthermore, changing the substrate requires a labor-intensive effort to reclassify most atomistic neighborhoods. In this context, the Level Set (LS) method provides an alternative approach where the macroscopic forces affecting the front evolution are directly applied at the discrete level, thus avoiding the need for reclassification and/or calibration. Correspondingly, we present a fully-operational Sparse Field Method (SFM) implementation of the LS approach, discussing in detail the algorithm and providing a thorough characterization of the computational cost and simulation accuracy, including a comparison to the performance by the most recent CCA model. We conclude that the SFM implementation achieves similar accuracy as the CCA method with less fluctuations in the etch front and requiring roughly 4 times less memory. Although SFM can be up to 2 times slower than CCA for the simulation of anisotropic etchants, it can also be up to 10 times faster than CCA for isotropic etchants. In addition, we present a parallel, GPU-based implementation (gSFM) and compare it to an optimized, multicore CPU version (cSFM), demonstrating that the SFM algorithm can be successfully parallelized and the simulation times consequently reduced, while keeping the accuracy of the simulations. Although modern multicore CPUs provide an acceptable option, the massively parallel architecture of modern GPUs is more suitable, as reflected by computational times for gSFM up to 7.4 times faster than

  19. NREL: News - Solar Decathlon Design Presentation and Simulation Results

    Science.gov Websites

    Announced Design Presentation and Simulation Results Announced Monday, September 30, 2002 took first place in the Design Presentation and Simulation Contest at the Solar Village on the National Tech in third. Design Presentation and Simulation is one of ten contests in the Solar Decathlon, which

  20. LENS: μLENS Simulations, Analysis, and Results

    NASA Astrophysics Data System (ADS)

    Rasco, Charles

    2013-04-01

    Simulations of the Low-Energy Neutrino Spectrometer prototype, μLENS, have been performed in order to benchmark the first measurements of the μLENS detector at the Kimballton Underground Research Facility (KURF). μLENS is a 6x6x6 celled scintillation lattice filled with Linear Alkylbenzene based scintillator. We have performed simulations of μLENS using the GEANT4 toolkit. We have measured various radioactive sources, LEDs, and environmental background radiation measurements at KURF using up to 96 PMTs with a simplified data acquisition system of QDCs and TDCs. In this talk we will demonstrate our understanding of the light propagation and we will compare simulation results with measurements of the μLENS detector of various radioactive sources, LEDs, and the environmental background radiation.

  1. Hyper-X Stage Separation: Simulation Development and Results

    NASA Technical Reports Server (NTRS)

    Reubush, David E.; Martin, John G.; Robinson, Jeffrey S.; Bose, David M.; Strovers, Brian K.

    2001-01-01

    This paper provides an overview of stage separation simulation development and results for NASA's Hyper-X program; a focused hypersonic technology effort designed to move hypersonic, airbreathing vehicle technology from the laboratory environment to the flight environment. This paper presents an account of the development of the current 14 degree of freedom stage separation simulation tool (SepSim) and results from use of the tool in a Monte Carlo analysis to evaluate the risk of failure for the separation event. Results from use of the tool show that there is only a very small risk of failure in the separation event.

  2. Changing Characteristics of convective storms: Results from a continental-scale convection-permitting climate simulations

    NASA Astrophysics Data System (ADS)

    Prein, A. F.; Ikeda, K.; Liu, C.; Bullock, R.; Rasmussen, R.

    2016-12-01

    Convective storms are causing extremes such as flooding, landslides, and wind gusts and are related to the development of tornadoes and hail. Convective storms are also the dominant source of summer precipitation in most regions of the Contiguous United States. So far little is known about how convective storms might change due to global warming. This is mainly because of the coarse grid spacing of state-of-the-art climate models that are not able to resolve deep convection explicitly. Instead, coarse resolution models rely on convective parameterization schemes that are a major source of errors and uncertainties in climate change projections. Convection-permitting climate simulations, with grid-spacings smaller than 4 km, show significant improvements in the simulation of convective storms by representing deep convection explicitly. Here we use a pair of 13-year long current and future convection-permitting climate simulations that cover large parts of North America. We use the Method for Object-Based Diagnostic Evaluation (MODE) that incorporates the time dimension (MODE-TD) to analyze the model performance in reproducing storm features in the current climate and to investigate their potential future changes. We show that the model is able to accurately reproduce the main characteristics of convective storms in the present climate. The comparison with the future climate simulation shows that convective storms significantly increase in frequency, intensity, and size. Furthermore, they are projected to move slower which could result in a substantial increase in convective storm-related hazards such as flash floods, debris flows, and landslides. Some regions, such as the North Atlantic, might experience a regime shift that leads to significantly stronger storms that are unrepresented in the current climate.

  3. Accurate Bit Error Rate Calculation for Asynchronous Chaos-Based DS-CDMA over Multipath Channel

    NASA Astrophysics Data System (ADS)

    Kaddoum, Georges; Roviras, Daniel; Chargé, Pascal; Fournier-Prunaret, Daniele

    2009-12-01

    An accurate approach to compute the bit error rate expression for multiuser chaosbased DS-CDMA system is presented in this paper. For more realistic communication system a slow fading multipath channel is considered. A simple RAKE receiver structure is considered. Based on the bit energy distribution, this approach compared to others computation methods existing in literature gives accurate results with low computation charge. Perfect estimation of the channel coefficients with the associated delays and chaos synchronization is assumed. The bit error rate is derived in terms of the bit energy distribution, the number of paths, the noise variance, and the number of users. Results are illustrated by theoretical calculations and numerical simulations which point out the accuracy of our approach.

  4. The VIIRS Ocean Data Simulator Enhancements and Results

    NASA Technical Reports Server (NTRS)

    Robinson, Wayne D.; Patt, Fredrick S.; Franz, Bryan A.; Turpie, Kevin R.; McClain, Charles R.

    2011-01-01

    The VIIRS Ocean Science Team (VOST) has been developing an Ocean Data Simulator to create realistic VIIRS SDR datasets based on MODIS water-leaving radiances. The simulator is helping to assess instrument performance and scientific processing algorithms. Several changes were made in the last two years to complete the simulator and broaden its usefulness. The simulator is now fully functional and includes all sensor characteristics measured during prelaunch testing, including electronic and optical crosstalk influences, polarization sensitivity, and relative spectral response. Also included is the simulation of cloud and land radiances to make more realistic data sets and to understand their important influence on nearby ocean color data. The atmospheric tables used in the processing, including aerosol and Rayleigh reflectance coefficients, have been modeled using VIIRS relative spectral responses. The capabilities of the simulator were expanded to work in an unaggregated sample mode and to produce scans with additional samples beyond the standard scan. These features improve the capability to realistically add artifacts which act upon individual instrument samples prior to aggregation and which may originate from beyond the actual scan boundaries. The simulator was expanded to simulate all 16 M-bands and the EDR processing was improved to use these bands to make an SST product. The simulator is being used to generate global VIIRS data from and in parallel with the MODIS Aqua data stream. Studies have been conducted using the simulator to investigate the impact of instrument artifacts. This paper discusses the simulator improvements and results from the artifact impact studies.

  5. The VIIRS ocean data simulator enhancements and results

    NASA Astrophysics Data System (ADS)

    Robinson, Wayne D.; Patt, Frederick S.; Franz, Bryan A.; Turpie, Kevin R.; McClain, Charles R.

    2011-10-01

    The VIIRS Ocean Science Team (VOST) has been developing an Ocean Data Simulator to create realistic VIIRS SDR datasets based on MODIS water-leaving radiances. The simulator is helping to assess instrument performance and scientific processing algorithms. Several changes were made in the last two years to complete the simulator and broaden its usefulness. The simulator is now fully functional and includes all sensor characteristics measured during prelaunch testing, including electronic and optical crosstalk influences, polarization sensitivity, and relative spectral response. Also included is the simulation of cloud and land radiances to make more realistic data sets and to understand their important influence on nearby ocean color data. The atmospheric tables used in the processing, including aerosol and Rayleigh reflectance coefficients, have been modeled using VIIRS relative spectral responses. The capabilities of the simulator were expanded to work in an unaggregated sample mode and to produce scans with additional samples beyond the standard scan. These features improve the capability to realistically add artifacts which act upon individual instrument samples prior to aggregation and which may originate from beyond the actual scan boundaries. The simulator was expanded to simulate all 16 M-bands and the EDR processing was improved to use these bands to make an SST product. The simulator is being used to generate global VIIRS data from and in parallel with the MODIS Aqua data stream. Studies have been conducted using the simulator to investigate the impact of instrument artifacts. This paper discusses the simulator improvements and results from the artifact impact studies.

  6. Titan's organic chemistry: Results of simulation experiments

    NASA Technical Reports Server (NTRS)

    Sagan, Carl; Thompson, W. Reid; Khare, Bishun N.

    1992-01-01

    Recent low pressure continuous low plasma discharge simulations of the auroral electron driven organic chemistry in Titan's mesosphere are reviewed. These simulations yielded results in good accord with Voyager observations of gas phase organic species. Optical constants of the brownish solid tholins produced in similar experiments are in good accord with Voyager observations of the Titan haze. Titan tholins are rich in prebiotic organic constituents; the Huygens entry probe may shed light on some of the processes that led to the origin of life on Earth.

  7. Equations of State for Mixtures: Results from DFT Simulations of Xenon/Ethane Mixtures Compared to High Accuracy Validation Experiments on Z

    NASA Astrophysics Data System (ADS)

    Magyar, Rudolph

    2013-06-01

    We report a computational and validation study of equation of state (EOS) properties of liquid / dense plasma mixtures of xenon and ethane to explore and to illustrate the physics of the molecular scale mixing of light elements with heavy elements. Accurate EOS models are crucial to achieve high-fidelity hydrodynamics simulations of many high-energy-density phenomena such as inertial confinement fusion and strong shock waves. While the EOS is often tabulated for separate species, the equation of state for arbitrary mixtures is generally not available, requiring properties of the mixture to be approximated by combining physical properties of the pure systems. The main goal of this study is to access how accurate this approximation is under shock conditions. Density functional theory molecular dynamics (DFT-MD) at elevated-temperature and pressure is used to assess the thermodynamics of the xenon-ethane mixture. The simulations are unbiased as to elemental species and therefore provide comparable accuracy when describing total energies, pressures, and other physical properties of mixtures as they do for pure systems. In addition, we have performed shock compression experiments using the Sandia Z-accelerator on pure xenon, ethane, and various mixture ratios thereof. The Hugoniot results are compared to the DFT-MD results and the predictions of different rules for combing EOS tables. The DFT-based simulation results compare well with the experimental points, and it is found that a mixing rule based on pressure equilibration performs reliably well for the mixtures considered. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  8. Robust High-Resolution Cloth Using Parallelism, History-Based Collisions and Accurate Friction

    PubMed Central

    Selle, Andrew; Su, Jonathan; Irving, Geoffrey; Fedkiw, Ronald

    2015-01-01

    In this paper we simulate high resolution cloth consisting of up to 2 million triangles which allows us to achieve highly detailed folds and wrinkles. Since the level of detail is also influenced by object collision and self collision, we propose a more accurate model for cloth-object friction. We also propose a robust history-based repulsion/collision framework where repulsions are treated accurately and efficiently on a per time step basis. Distributed memory parallelism is used for both time evolution and collisions and we specifically address Gauss-Seidel ordering of repulsion/collision response. This algorithm is demonstrated by several high-resolution and high-fidelity simulations. PMID:19147895

  9. Monte Carlo simulations in Nuclear Medicine

    NASA Astrophysics Data System (ADS)

    Loudos, George K.

    2007-11-01

    Molecular imaging technologies provide unique abilities to localise signs of disease before symptoms appear, assist in drug testing, optimize and personalize therapy, and assess the efficacy of treatment regimes for different types of cancer. Monte Carlo simulation packages are used as an important tool for the optimal design of detector systems. In addition they have demonstrated potential to improve image quality and acquisition protocols. Many general purpose (MCNP, Geant4, etc) or dedicated codes (SimSET etc) have been developed aiming to provide accurate and fast results. Special emphasis will be given to GATE toolkit. The GATE code currently under development by the OpenGATE collaboration is the most accurate and promising code for performing realistic simulations. The purpose of this article is to introduce the non expert reader to the current status of MC simulations in nuclear medicine and briefly provide examples of current simulated systems, and present future challenges that include simulation of clinical studies and dosimetry applications.

  10. Parallel Higher-order Finite Element Method for Accurate Field Computations in Wakefield and PIC Simulations

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Candel, A.; Kabel, A.; Lee, L.

    Over the past years, SLAC's Advanced Computations Department (ACD), under SciDAC sponsorship, has developed a suite of 3D (2D) parallel higher-order finite element (FE) codes, T3P (T2P) and Pic3P (Pic2P), aimed at accurate, large-scale simulation of wakefields and particle-field interactions in radio-frequency (RF) cavities of complex shape. The codes are built on the FE infrastructure that supports SLAC's frequency domain codes, Omega3P and S3P, to utilize conformal tetrahedral (triangular)meshes, higher-order basis functions and quadratic geometry approximation. For time integration, they adopt an unconditionally stable implicit scheme. Pic3P (Pic2P) extends T3P (T2P) to treat charged-particle dynamics self-consistently using the PIC (particle-in-cell)more » approach, the first such implementation on a conformal, unstructured grid using Whitney basis functions. Examples from applications to the International Linear Collider (ILC), Positron Electron Project-II (PEP-II), Linac Coherent Light Source (LCLS) and other accelerators will be presented to compare the accuracy and computational efficiency of these codes versus their counterparts using structured grids.« less

  11. Accurate approximation of in-ecliptic trajectories for E-sail with constant pitch angle

    NASA Astrophysics Data System (ADS)

    Huo, Mingying; Mengali, Giovanni; Quarta, Alessandro A.

    2018-05-01

    Propellantless continuous-thrust propulsion systems, such as electric solar wind sails, may be successfully used for new space missions, especially those requiring high-energy orbit transfers. When the mass-to-thrust ratio is sufficiently large, the spacecraft trajectory is characterized by long flight times with a number of revolutions around the Sun. The corresponding mission analysis, especially when addressed within an optimal context, requires a significant amount of simulation effort. Analytical trajectories are therefore useful aids in a preliminary phase of mission design, even though exact solution are very difficult to obtain. The aim of this paper is to present an accurate, analytical, approximation of the spacecraft trajectory generated by an electric solar wind sail with a constant pitch angle, using the latest mathematical model of the thrust vector. Assuming a heliocentric circular parking orbit and a two-dimensional scenario, the simulation results show that the proposed equations are able to accurately describe the actual spacecraft trajectory for a long time interval when the propulsive acceleration magnitude is sufficiently small.

  12. The accurate particle tracer code

    NASA Astrophysics Data System (ADS)

    Wang, Yulei; Liu, Jian; Qin, Hong; Yu, Zhi; Yao, Yicun

    2017-11-01

    The Accurate Particle Tracer (APT) code is designed for systematic large-scale applications of geometric algorithms for particle dynamical simulations. Based on a large variety of advanced geometric algorithms, APT possesses long-term numerical accuracy and stability, which are critical for solving multi-scale and nonlinear problems. To provide a flexible and convenient I/O interface, the libraries of Lua and Hdf5 are used. Following a three-step procedure, users can efficiently extend the libraries of electromagnetic configurations, external non-electromagnetic forces, particle pushers, and initialization approaches by use of the extendible module. APT has been used in simulations of key physical problems, such as runaway electrons in tokamaks and energetic particles in Van Allen belt. As an important realization, the APT-SW version has been successfully distributed on the world's fastest computer, the Sunway TaihuLight supercomputer, by supporting master-slave architecture of Sunway many-core processors. Based on large-scale simulations of a runaway beam under parameters of the ITER tokamak, it is revealed that the magnetic ripple field can disperse the pitch-angle distribution significantly and improve the confinement of energetic runaway beam on the same time.

  13. The accurate particle tracer code

    DOE PAGES

    Wang, Yulei; Liu, Jian; Qin, Hong; ...

    2017-07-20

    The Accurate Particle Tracer (APT) code is designed for systematic large-scale applications of geometric algorithms for particle dynamical simulations. Based on a large variety of advanced geometric algorithms, APT possesses long-term numerical accuracy and stability, which are critical for solving multi-scale and nonlinear problems. To provide a flexible and convenient I/O interface, the libraries of Lua and Hdf5 are used. Following a three-step procedure, users can efficiently extend the libraries of electromagnetic configurations, external non-electromagnetic forces, particle pushers, and initialization approaches by use of the extendible module. APT has been used in simulations of key physical problems, such as runawaymore » electrons in tokamaks and energetic particles in Van Allen belt. As an important realization, the APT-SW version has been successfully distributed on the world’s fastest computer, the Sunway TaihuLight supercomputer, by supporting master–slave architecture of Sunway many-core processors. Here, based on large-scale simulations of a runaway beam under parameters of the ITER tokamak, it is revealed that the magnetic ripple field can disperse the pitch-angle distribution significantly and improve the confinement of energetic runaway beam on the same time.« less

  14. The accurate particle tracer code

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wang, Yulei; Liu, Jian; Qin, Hong

    The Accurate Particle Tracer (APT) code is designed for systematic large-scale applications of geometric algorithms for particle dynamical simulations. Based on a large variety of advanced geometric algorithms, APT possesses long-term numerical accuracy and stability, which are critical for solving multi-scale and nonlinear problems. To provide a flexible and convenient I/O interface, the libraries of Lua and Hdf5 are used. Following a three-step procedure, users can efficiently extend the libraries of electromagnetic configurations, external non-electromagnetic forces, particle pushers, and initialization approaches by use of the extendible module. APT has been used in simulations of key physical problems, such as runawaymore » electrons in tokamaks and energetic particles in Van Allen belt. As an important realization, the APT-SW version has been successfully distributed on the world’s fastest computer, the Sunway TaihuLight supercomputer, by supporting master–slave architecture of Sunway many-core processors. Here, based on large-scale simulations of a runaway beam under parameters of the ITER tokamak, it is revealed that the magnetic ripple field can disperse the pitch-angle distribution significantly and improve the confinement of energetic runaway beam on the same time.« less

  15. Simulation of DKIST solar adaptive optics system

    NASA Astrophysics Data System (ADS)

    Marino, Jose; Carlisle, Elizabeth; Schmidt, Dirk

    2016-07-01

    Solar adaptive optics (AO) simulations are a valuable tool to guide the design and optimization process of current and future solar AO and multi-conjugate AO (MCAO) systems. Solar AO and MCAO systems rely on extended object cross-correlating Shack-Hartmann wavefront sensors to measure the wavefront. Accurate solar AO simulations require computationally intensive operations, which have until recently presented a prohibitive computational cost. We present an update on the status of a solar AO and MCAO simulation tool being developed at the National Solar Observatory. The simulation tool is a multi-threaded application written in the C++ language that takes advantage of current large multi-core CPU computer systems and fast ethernet connections to provide accurate full simulation of solar AO and MCAO systems. It interfaces with KAOS, a state of the art solar AO control software developed by the Kiepenheuer-Institut fuer Sonnenphysik, that provides reliable AO control. We report on the latest results produced by the solar AO simulation tool.

  16. First results of coupled IPS/NIMROD/GENRAY simulations

    NASA Astrophysics Data System (ADS)

    Jenkins, Thomas; Kruger, S. E.; Held, E. D.; Harvey, R. W.; Elwasif, W. R.; Schnack, D. D.

    2010-11-01

    The Integrated Plasma Simulator (IPS) framework, developed by the SWIM Project Team, facilitates self-consistent simulations of complicated plasma behavior via the coupling of various codes modeling different spatial/temporal scales in the plasma. Here, we apply this capability to investigate the stabilization of tearing modes by ECCD. Under IPS control, the NIMROD code (MHD) evolves fluid equations to model bulk plasma behavior, while the GENRAY code (RF) calculates the self-consistent propagation and deposition of RF power in the resulting plasma profiles. GENRAY data is then used to construct moments of the quasilinear diffusion tensor (induced by the RF) which influence the dynamics of momentum/energy evolution in NIMROD's equations. We present initial results from these coupled simulations and demonstrate that they correctly capture the physics of magnetic island stabilization [Jenkins et al, PoP 17, 012502 (2010)] in the low-beta limit. We also discuss the process of code verification in these simulations, demonstrating good agreement between NIMROD and GENRAY predictions for the flux-surface-averaged, RF-induced currents. An overview of ongoing model development (synthetic diagnostics/plasma control systems; neoclassical effects; etc.) is also presented. Funded by US DoE.

  17. Medical Simulation Practices 2010 Survey Results

    NASA Technical Reports Server (NTRS)

    McCrindle, Jeffrey J.

    2011-01-01

    Medical Simulation Centers are an essential component of our learning infrastructure to prepare doctors and nurses for their careers. Unlike the military and aerospace simulation industry, very little has been published regarding the best practices currently in use within medical simulation centers. This survey attempts to provide insight into the current simulation practices at medical schools, hospitals, university nursing programs and community college nursing programs. Students within the MBA program at Saint Joseph's University conducted a survey of medical simulation practices during the summer 2010 semester. A total of 115 institutions responded to the survey. The survey resus discuss overall effectiveness of current simulation centers as well as the tools and techniques used to conduct the simulation activity

  18. Test Results from a Direct Drive Gas Reactor Simulator Coupled to a Brayton Power Conversion Unit

    NASA Technical Reports Server (NTRS)

    Hervol, David S.; Briggs, Maxwell H.; Owen, Albert K.; Bragg-Sitton, Shannon M.; Godfroy, Thomas J.

    2010-01-01

    Component level testing of power conversion units proposed for use in fission surface power systems has typically been done using relatively simple electric heaters for thermal input. These heaters do not adequately represent the geometry or response of proposed reactors. As testing of fission surface power systems transitions from the component level to the system level it becomes necessary to more accurately replicate these reactors using reactor simulators. The Direct Drive Gas-Brayton Power Conversion Unit test activity at the NASA Glenn Research Center integrates a reactor simulator with an existing Brayton test rig. The response of the reactor simulator to a change in Brayton shaft speed is shown as well as the response of the Brayton to an insertion of reactivity, corresponding to a drum reconfiguration. The lessons learned from these tests can be used to improve the design of future reactor simulators which can be used in system level fission surface power tests.

  19. Comparison the Results of Numerical Simulation And Experimental Results for Amirkabir Plasma Focus Facility

    NASA Astrophysics Data System (ADS)

    Goudarzi, Shervin; Amrollahi, R.; Niknam Sharak, M.

    2014-06-01

    In this paper the results of the numerical simulation for Amirkabir Mather-type Plasma Focus Facility (16 kV, 36μF and 115 nH) in several experiments with Argon as working gas at different working conditions (different discharge voltages and gas pressures) have been presented and compared with the experimental results. Two different models have been used for simulation: five-phase model of Lee and lumped parameter model of Gonzalez. It is seen that the results (optimum pressures and current signals) of the Lee model at different working conditions show better agreement than lumped parameter model with experimental values.

  20. FASTSIM2: a second-order accurate frictional rolling contact algorithm

    NASA Astrophysics Data System (ADS)

    Vollebregt, E. A. H.; Wilders, P.

    2011-01-01

    In this paper we consider the frictional (tangential) steady rolling contact problem. We confine ourselves to the simplified theory, instead of using full elastostatic theory, in order to be able to compute results fast, as needed for on-line application in vehicle system dynamics simulation packages. The FASTSIM algorithm is the leading technology in this field and is employed in all dominant railway vehicle system dynamics packages (VSD) in the world. The main contribution of this paper is a new version "FASTSIM2" of the FASTSIM algorithm, which is second-order accurate. This is relevant for VSD, because with the new algorithm 16 times less grid points are required for sufficiently accurate computations of the contact forces. The approach is based on new insights in the characteristics of the rolling contact problem when using the simplified theory, and on taking precise care of the contact conditions in the numerical integration scheme employed.

  1. An Accurate Link Correlation Estimator for Improving Wireless Protocol Performance

    PubMed Central

    Zhao, Zhiwei; Xu, Xianghua; Dong, Wei; Bu, Jiajun

    2015-01-01

    Wireless link correlation has shown significant impact on the performance of various sensor network protocols. Many works have been devoted to exploiting link correlation for protocol improvements. However, the effectiveness of these designs heavily relies on the accuracy of link correlation measurement. In this paper, we investigate state-of-the-art link correlation measurement and analyze the limitations of existing works. We then propose a novel lightweight and accurate link correlation estimation (LACE) approach based on the reasoning of link correlation formation. LACE combines both long-term and short-term link behaviors for link correlation estimation. We implement LACE as a stand-alone interface in TinyOS and incorporate it into both routing and flooding protocols. Simulation and testbed results show that LACE: (1) achieves more accurate and lightweight link correlation measurements than the state-of-the-art work; and (2) greatly improves the performance of protocols exploiting link correlation. PMID:25686314

  2. A time accurate prediction of the viscous flow in a turbine stage including a rotor in motion

    NASA Astrophysics Data System (ADS)

    Shavalikul, Akamol

    In this current study, the flow field in the Pennsylvania State University Axial Flow Turbine Research Facility (AFTRF) was simulated. This study examined four sets of simulations. The first two sets are for an individual NGV and for an individual rotor. The last two sets use a multiple reference frames approach for a complete turbine stage with two different interface models: a steady circumferential average approach called a mixing plane model, and a time accurate flow simulation approach called a sliding mesh model. The NGV passage flow field was simulated using a three-dimensional Reynolds Averaged Navier-Stokes finite volume solver (RANS) with a standard kappa -- epsilon turbulence model. The mean flow distributions on the NGV surfaces and endwall surfaces were computed. The numerical solutions indicate that two passage vortices begin to be observed approximately at the mid axial chord of the NGV suction surface. The first vortex is a casing passage vortex which occurs at the corner formed by the NGV suction surface and the casing. This vortex is created by the interaction of the passage flow and the radially inward flow, while the second vortex, the hub passage vortex, is observed near the hub. These two vortices become stronger towards the NGV trailing edge. By comparing the results from the X/Cx = 1.025 plane and the X/Cx = 1.09 plane, it can be concluded that the NGV wake decays rapidly within a short axial distance downstream of the NGV. For the rotor, a set of simulations was carried out to examine the flow fields associated with different pressure side tip extension configurations, which are designed to reduce the tip leakage flow. The simulation results show that significant reductions in tip leakage mass flow rate and aerodynamic loss reduction are possible by using suitable tip platform extensions located near the pressure side corner of the blade tip. The computations used realistic turbine rotor inlet flow conditions in a linear cascade arrangement

  3. Reconstructing the ideal results of a perturbed analog quantum simulator

    NASA Astrophysics Data System (ADS)

    Schwenk, Iris; Reiner, Jan-Michael; Zanker, Sebastian; Tian, Lin; Leppäkangas, Juha; Marthaler, Michael

    2018-04-01

    Well-controlled quantum systems can potentially be used as quantum simulators. However, a quantum simulator is inevitably perturbed by coupling to additional degrees of freedom. This constitutes a major roadblock to useful quantum simulations. So far there are only limited means to understand the effect of perturbation on the results of quantum simulation. Here we present a method which, in certain circumstances, allows for the reconstruction of the ideal result from measurements on a perturbed quantum simulator. We consider extracting the value of the correlator 〈Ôi(t ) Ôj(0 ) 〉 from the simulated system, where Ôi are the operators which couple the system to its environment. The ideal correlator can be straightforwardly reconstructed by using statistical knowledge of the environment, if any n -time correlator of operators Ôi of the ideal system can be written as products of two-time correlators. We give an approach to verify the validity of this assumption experimentally by additional measurements on the perturbed quantum simulator. The proposed method can allow for reliable quantum simulations with systems subjected to environmental noise without adding an overhead to the quantum system.

  4. Method for simulating discontinuous physical systems

    DOEpatents

    Baty, Roy S.; Vaughn, Mark R.

    2001-01-01

    The mathematical foundations of conventional numerical simulation of physical systems provide no consistent description of the behavior of such systems when subjected to discontinuous physical influences. As a result, the numerical simulation of such problems requires ad hoc encoding of specific experimental results in order to address the behavior of such discontinuous physical systems. In the present invention, these foundations are replaced by a new combination of generalized function theory and nonstandard analysis. The result is a class of new approaches to the numerical simulation of physical systems which allows the accurate and well-behaved simulation of discontinuous and other difficult physical systems, as well as simpler physical systems. Applications of this new class of numerical simulation techniques to process control, robotics, and apparatus design are outlined.

  5. An Accurate Transmitting Power Control Method in Wireless Communication Transceivers

    NASA Astrophysics Data System (ADS)

    Zhang, Naikang; Wen, Zhiping; Hou, Xunping; Bi, Bo

    2018-01-01

    Power control circuits are widely used in transceivers aiming at stabilizing the transmitted signal power to a specified value, thereby reducing power consumption and interference to other frequency bands. In order to overcome the shortcomings of traditional modes of power control, this paper proposes an accurate signal power detection method by multiplexing the receiver and realizes transmitting power control in the digital domain. The simulation results show that this novel digital power control approach has advantages of small delay, high precision and simplified design procedure. The proposed method is applicable to transceivers working at large frequency dynamic range, and has good engineering practicability.

  6. Glucose Meters: A Review of Technical Challenges to Obtaining Accurate Results

    PubMed Central

    Tonyushkina, Ksenia; Nichols, James H.

    2009-01-01

    , anemia, hypotension, and other disease states. This article reviews the challenges involved in obtaining accurate glucose meter results. PMID:20144348

  7. Achieving Actionable Results from Available Inputs: Metamodels Take Building Energy Simulations One Step Further

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Horsey, Henry; Fleming, Katherine; Ball, Brian

    Modeling commercial building energy usage can be a difficult and time-consuming task. The increasing prevalence of optimization algorithms provides one path for reducing the time and difficulty. Many use cases remain, however, where information regarding whole-building energy usage is valuable, but the time and expertise required to run and post-process a large number of building energy simulations is intractable. A relatively underutilized option to accurately estimate building energy consumption in real time is to pre-compute large datasets of potential building energy models, and use the set of results to quickly and efficiently provide highly accurate data. This process is calledmore » metamodeling. In this paper, two case studies are presented demonstrating the successful applications of metamodeling using the open-source OpenStudio Analysis Framework. The first case study involves the U.S. Department of Energy's Asset Score Tool, specifically the Preview Asset Score Tool, which is designed to give nontechnical users a near-instantaneous estimated range of expected results based on building system-level inputs. The second case study involves estimating the potential demand response capabilities of retail buildings in Colorado. The metamodel developed in this second application not only allows for estimation of a single building's expected performance, but also can be combined with public data to estimate the aggregate DR potential across various geographic (county and state) scales. In both case studies, the unique advantages of pre-computation allow building energy models to take the place of topdown actuarial evaluations. This paper ends by exploring the benefits of using metamodels and then examines the cost-effectiveness of this approach.« less

  8. Model improvements to simulate charging in SEM

    NASA Astrophysics Data System (ADS)

    Arat, K. T.; Klimpel, T.; Hagen, C. W.

    2018-03-01

    Charging of insulators is a complex phenomenon to simulate since the accuracy of the simulations is very sensitive to the interaction of electrons with matter and electric fields. In this study, we report model improvements for a previously developed Monte-Carlo simulator to more accurately simulate samples that charge. The improvements include both modelling of low energy electron scattering and charging of insulators. The new first-principle scattering models provide a more realistic charge distribution cloud in the material, and a better match between non-charging simulations and experimental results. Improvements on charging models mainly focus on redistribution of the charge carriers in the material with an induced conductivity (EBIC) and a breakdown model, leading to a smoother distribution of the charges. Combined with a more accurate tracing of low energy electrons in the electric field, we managed to reproduce the dynamically changing charging contrast due to an induced positive surface potential.

  9. DoSSiER: Database of scientific simulation and experimental results

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wenzel, Hans; Yarba, Julia; Genser, Krzystof

    The Geant4, GeantV and GENIE collaborations regularly perform validation and regression tests for simulation results. DoSSiER (Database of Scientific Simulation and Experimental Results) is being developed as a central repository to store the simulation results as well as the experimental data used for validation. DoSSiER can be easily accessed via a web application. In addition, a web service allows for programmatic access to the repository to extract records in json or xml exchange formats. In this paper, we describe the functionality and the current status of various components of DoSSiER as well as the technology choices we made.

  10. DoSSiER: Database of scientific simulation and experimental results

    DOE PAGES

    Wenzel, Hans; Yarba, Julia; Genser, Krzystof; ...

    2016-08-01

    The Geant4, GeantV and GENIE collaborations regularly perform validation and regression tests for simulation results. DoSSiER (Database of Scientific Simulation and Experimental Results) is being developed as a central repository to store the simulation results as well as the experimental data used for validation. DoSSiER can be easily accessed via a web application. In addition, a web service allows for programmatic access to the repository to extract records in json or xml exchange formats. In this paper, we describe the functionality and the current status of various components of DoSSiER as well as the technology choices we made.

  11. A new class of accurate, mesh-free hydrodynamic simulation methods

    NASA Astrophysics Data System (ADS)

    Hopkins, Philip F.

    2015-06-01

    We present two new Lagrangian methods for hydrodynamics, in a systematic comparison with moving-mesh, smoothed particle hydrodynamics (SPH), and stationary (non-moving) grid methods. The new methods are designed to simultaneously capture advantages of both SPH and grid-based/adaptive mesh refinement (AMR) schemes. They are based on a kernel discretization of the volume coupled to a high-order matrix gradient estimator and a Riemann solver acting over the volume `overlap'. We implement and test a parallel, second-order version of the method with self-gravity and cosmological integration, in the code GIZMO:1 this maintains exact mass, energy and momentum conservation; exhibits superior angular momentum conservation compared to all other methods we study; does not require `artificial diffusion' terms; and allows the fluid elements to move with the flow, so resolution is automatically adaptive. We consider a large suite of test problems, and find that on all problems the new methods appear competitive with moving-mesh schemes, with some advantages (particularly in angular momentum conservation), at the cost of enhanced noise. The new methods have many advantages versus SPH: proper convergence, good capturing of fluid-mixing instabilities, dramatically reduced `particle noise' and numerical viscosity, more accurate sub-sonic flow evolution, and sharp shock-capturing. Advantages versus non-moving meshes include: automatic adaptivity, dramatically reduced advection errors and numerical overmixing, velocity-independent errors, accurate coupling to gravity, good angular momentum conservation and elimination of `grid alignment' effects. We can, for example, follow hundreds of orbits of gaseous discs, while AMR and SPH methods break down in a few orbits. However, fixed meshes minimize `grid noise'. These differences are important for a range of astrophysical problems.

  12. Advanced Thermal Simulator Testing: Thermal Analysis and Test Results

    NASA Technical Reports Server (NTRS)

    Bragg-Sitton, Shannon M.; Dickens, Ricky; Dixon, David; Reid, Robert; Adams, Mike; Davis, Joe

    2008-01-01

    Work at the NASA Marshall Space Flight Center seeks to develop high fidelity, electrically heated thermal simulators that represent fuel elements in a nuclear reactor design to support non-nuclear testing applicable to the development of a space nuclear power or propulsion system. Comparison between the fuel pins and thermal simulators is made at the outer fuel clad surface, which corresponds to the outer sheath surface in the thermal simulator. The thermal simulators that are currently being tested correspond to a SNAP derivative reactor design that could be applied for Lunar surface power. These simulators are designed to meet the geometric and power requirements of a proposed surface power reactor design, accommodate testing of various axial power profiles, and incorporate imbedded instrumentation. This paper reports the results of thermal simulator analysis and testing in a bare element configuration, which does not incorporate active heat removal, and testing in a water-cooled calorimeter designed to mimic the heat removal that would be experienced in a reactor core.

  13. A machine learning method for fast and accurate characterization of depth-of-interaction gamma cameras

    NASA Astrophysics Data System (ADS)

    Pedemonte, Stefano; Pierce, Larry; Van Leemput, Koen

    2017-11-01

    Measuring the depth-of-interaction (DOI) of gamma photons enables increasing the resolution of emission imaging systems. Several design variants of DOI-sensitive detectors have been recently introduced to improve the performance of scanners for positron emission tomography (PET). However, the accurate characterization of the response of DOI detectors, necessary to accurately measure the DOI, remains an unsolved problem. Numerical simulations are, at the state of the art, imprecise, while measuring directly the characteristics of DOI detectors experimentally is hindered by the impossibility to impose the depth-of-interaction in an experimental set-up. In this article we introduce a machine learning approach for extracting accurate forward models of gamma imaging devices from simple pencil-beam measurements, using a nonlinear dimensionality reduction technique in combination with a finite mixture model. The method is purely data-driven, not requiring simulations, and is applicable to a wide range of detector types. The proposed method was evaluated both in a simulation study and with data acquired using a monolithic gamma camera designed for PET (the cMiCE detector), demonstrating the accurate recovery of the DOI characteristics. The combination of the proposed calibration technique with maximum- a posteriori estimation of the coordinates of interaction provided a depth resolution of  ≈1.14 mm for the simulated PET detector and  ≈1.74 mm for the cMiCE detector. The software and experimental data are made available at http://occiput.mgh.harvard.edu/depthembedding/.

  14. Accurate high-throughput structure mapping and prediction with transition metal ion FRET

    PubMed Central

    Yu, Xiaozhen; Wu, Xiongwu; Bermejo, Guillermo A.; Brooks, Bernard R.; Taraska, Justin W.

    2013-01-01

    Mapping the landscape of a protein’s conformational space is essential to understanding its functions and regulation. The limitations of many structural methods have made this process challenging for most proteins. Here, we report that transition metal ion FRET (tmFRET) can be used in a rapid, highly parallel screen, to determine distances from multiple locations within a protein at extremely low concentrations. The distances generated through this screen for the protein Maltose Binding Protein (MBP) match distances from the crystal structure to within a few angstroms. Furthermore, energy transfer accurately detects structural changes during ligand binding. Finally, fluorescence-derived distances can be used to guide molecular simulations to find low energy states. Our results open the door to rapid, accurate mapping and prediction of protein structures at low concentrations, in large complex systems, and in living cells. PMID:23273426

  15. Avoiding fractional electrons in subsystem DFT based ab-initio molecular dynamics yields accurate models for liquid water and solvated OH radical.

    PubMed

    Genova, Alessandro; Ceresoli, Davide; Pavanello, Michele

    2016-06-21

    In this work we achieve three milestones: (1) we present a subsystem DFT method capable of running ab-initio molecular dynamics simulations accurately and efficiently. (2) In order to rid the simulations of inter-molecular self-interaction error, we exploit the ability of semilocal frozen density embedding formulation of subsystem DFT to represent the total electron density as a sum of localized subsystem electron densities that are constrained to integrate to a preset, constant number of electrons; the success of the method relies on the fact that employed semilocal nonadditive kinetic energy functionals effectively cancel out errors in semilocal exchange-correlation potentials that are linked to static correlation effects and self-interaction. (3) We demonstrate this concept by simulating liquid water and solvated OH(•) radical. While the bulk of our simulations have been performed on a periodic box containing 64 independent water molecules for 52 ps, we also simulated a box containing 256 water molecules for 22 ps. The results show that, provided one employs an accurate nonadditive kinetic energy functional, the dynamics of liquid water and OH(•) radical are in semiquantitative agreement with experimental results or higher-level electronic structure calculations. Our assessments are based upon comparisons of radial and angular distribution functions as well as the diffusion coefficient of the liquid.

  16. Fast and Accurate Simulation Technique for Large Irregular Arrays

    NASA Astrophysics Data System (ADS)

    Bui-Van, Ha; Abraham, Jens; Arts, Michel; Gueuning, Quentin; Raucy, Christopher; Gonzalez-Ovejero, David; de Lera Acedo, Eloy; Craeye, Christophe

    2018-04-01

    A fast full-wave simulation technique is presented for the analysis of large irregular planar arrays of identical 3-D metallic antennas. The solution method relies on the Macro Basis Functions (MBF) approach and an interpolatory technique to compute the interactions between MBFs. The Harmonic-polynomial (HARP) model is established for the near-field interactions in a modified system of coordinates. For extremely large arrays made of complex antennas, two approaches assuming a limited radius of influence for mutual coupling are considered: one is based on a sparse-matrix LU decomposition and the other one on a tessellation of the array in the form of overlapping sub-arrays. The computation of all embedded element patterns is sped up with the help of the non-uniform FFT algorithm. Extensive validations are shown for arrays of log-periodic antennas envisaged for the low-frequency SKA (Square Kilometer Array) radio-telescope. The analysis of SKA stations with such a large number of elements has not been treated yet in the literature. Validations include comparison with results obtained with commercial software and with experiments. The proposed method is particularly well suited to array synthesis, in which several orders of magnitude can be saved in terms of computation time.

  17. NNLOPS accurate associated HW production

    NASA Astrophysics Data System (ADS)

    Astill, William; Bizon, Wojciech; Re, Emanuele; Zanderighi, Giulia

    2016-06-01

    We present a next-to-next-to-leading order accurate description of associated HW production consistently matched to a parton shower. The method is based on reweighting events obtained with the HW plus one jet NLO accurate calculation implemented in POWHEG, extended with the MiNLO procedure, to reproduce NNLO accurate Born distributions. Since the Born kinematics is more complex than the cases treated before, we use a parametrization of the Collins-Soper angles to reduce the number of variables required for the reweighting. We present phenomenological results at 13 TeV, with cuts suggested by the Higgs Cross section Working Group.

  18. Results from Binary Black Hole Simulations in Astrophysics Applications

    NASA Technical Reports Server (NTRS)

    Baker, John G.

    2007-01-01

    Present and planned gravitational wave observatories are opening a new astronomical window to the sky. A key source of gravitational waves is the merger of two black holes. The Laser Interferometer Space Antenna (LISA), in particular, is expected to observe these events with signal-to-noise ratio's in the thousands. To fully reap the scientific benefits of these observations requires a detailed understanding, based on numerical simulations, of the predictions of General Relativity for the waveform signals. New techniques for simulating binary black hole mergers, introduced two years ago, have led to dramatic advances in applied numerical simulation work. Over the last two years, numerical relativity researchers have made tremendous strides in understanding the late stages of binary black hole mergers. Simulations have been applied to test much of the basic physics of binary black hole interactions, showing robust results for merger waveform predictions, and illuminating such phenomena as spin-precession. Calculations have shown that merging systems can be kicked at up to 2500 km/s by the thrust from asymmetric emission. Recently, long lasting simulations of ten or more orbits allow tests of post-Newtonian (PN) approximation results for radiation from the last orbits of the binary's inspiral. Already, analytic waveform models based PN techniques with incorporated information from numerical simulations may be adequate for observations with current ground based observatories. As new advances in simulations continue to rapidly improve our theoretical understanding of the systems, it seems certain that high-precision predictions will be available in time for LISA and other advanced ground-based instruments. Future gravitational wave observatories are expected to make precision.

  19. Utilizing fast multipole expansions for efficient and accurate quantum-classical molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Schwörer, Magnus; Lorenzen, Konstantin; Mathias, Gerald; Tavan, Paul

    2015-03-01

    Recently, a novel approach to hybrid quantum mechanics/molecular mechanics (QM/MM) molecular dynamics (MD) simulations has been suggested [Schwörer et al., J. Chem. Phys. 138, 244103 (2013)]. Here, the forces acting on the atoms are calculated by grid-based density functional theory (DFT) for a solute molecule and by a polarizable molecular mechanics (PMM) force field for a large solvent environment composed of several 103-105 molecules as negative gradients of a DFT/PMM hybrid Hamiltonian. The electrostatic interactions are efficiently described by a hierarchical fast multipole method (FMM). Adopting recent progress of this FMM technique [Lorenzen et al., J. Chem. Theory Comput. 10, 3244 (2014)], which particularly entails a strictly linear scaling of the computational effort with the system size, and adapting this revised FMM approach to the computation of the interactions between the DFT and PMM fragments of a simulation system, here, we show how one can further enhance the efficiency and accuracy of such DFT/PMM-MD simulations. The resulting gain of total performance, as measured for alanine dipeptide (DFT) embedded in water (PMM) by the product of the gains in efficiency and accuracy, amounts to about one order of magnitude. We also demonstrate that the jointly parallelized implementation of the DFT and PMM-MD parts of the computation enables the efficient use of high-performance computing systems. The associated software is available online.

  20. Accurate Cold-Test Model of Helical TWT Slow-Wave Circuits

    NASA Technical Reports Server (NTRS)

    Kory, Carol L.; Dayton, James A., Jr.

    1997-01-01

    Recently, a method has been established to accurately calculate cold-test data for helical slow-wave structures using the three-dimensional electromagnetic computer code, MAFIA. Cold-test parameters have been calculated for several helical traveling-wave tube (TWT) slow-wave circuits possessing various support rod configurations, and results are presented here showing excellent agreement with experiment. The helical models include tape thickness, dielectric support shapes and material properties consistent with the actual circuits. The cold-test data from this helical model can be used as input into large-signal helical TWT interaction codes making it possible, for the first time, to design a complete TWT via computer simulation.

  1. Comparison between simulations and lab results on the ASSIST test-bench

    NASA Astrophysics Data System (ADS)

    Le Louarn, Miska; Madec, Pierre-Yves; Kolb, Johann; Paufique, Jerome; Oberti, Sylvain; La Penna, Paolo; Arsenault, Robin

    2016-07-01

    We present the latest comparison results between laboratory tests carried out on the ASSIST test bench and Octopus end-to end simulations. We simulated, as closely to the lab conditions as possible, the different AOF modes (Maintenance and commissioning mode (SCAO), GRAAL (GLAO in the near IR), Galacsi Wide Field mode (GLAO in the visible) and Galacsi narrow field mode (LTAO in the visible)). We then compared the simulation results to the ones obtained on the lab bench. Several aspects were investigated, like number of corrected modes, turbulence wind speeds, LGS photon flux etc. The agreement between simulations and lab is remarkably good for all investigated parameters, giving great confidence in both simulation tool and performance of the AO system in the lab.

  2. The use of Monte Carlo simulations for accurate dose determination with thermoluminescence dosemeters in radiation therapy beams.

    PubMed

    Mobit, P

    2002-01-01

    The energy responses of LiF-TLDs irradiated in megavoltage electron and photon beams have been determined experimentally by many investigators over the past 35 years but the results vary considerably. General cavity theory has been used to model some of the experimental findings but the predictions of these cavity theories differ from each other and from measurements by more than 13%. Recently, two groups or investigators using Monte Carlo simulations and careful experimental techniques showed that the energy response of 1 mm or 2 mm thick LiF-TLD irradiated by megavoltage photon and electron beams is not more than 5% less than unity for low-Z phantom materials like water or Perspex. However, when the depth of irradiation is significantly different from dmax and the TLD size is more than 5 mm, then the energy response is up to 12% less than unity for incident electron beams. Monte Carlo simulations of some of the experiments reported in the literature showed that some of the contradictory experimental results are reproducible with Monte Carlo simulations. Monte Carlo simulations show that the energy response of LiF-TLDs depends on the size of detector used in electron beams, the depth of irradiation and the incident electron energy. Other differences can be attributed to absolute dose determination and precision of the TL technique. Monte Carlo simulations have also been used to evaluate some of the published general cavity theories. The results show that some of the parameters used to evaluate Burlin's general cavity theory are wrong by factor of 3. Despite this, the estimation of the energy response for most clinical situations using Burlin's cavity equation agrees with Monte Carlo simulations within 1%.

  3. Accurate Modeling of Dark-Field Scattering Spectra of Plasmonic Nanostructures.

    PubMed

    Jiang, Liyong; Yin, Tingting; Dong, Zhaogang; Liao, Mingyi; Tan, Shawn J; Goh, Xiao Ming; Allioux, David; Hu, Hailong; Li, Xiangyin; Yang, Joel K W; Shen, Zexiang

    2015-10-27

    Dark-field microscopy is a widely used tool for measuring the optical resonance of plasmonic nanostructures. However, current numerical methods for simulating the dark-field scattering spectra were carried out with plane wave illumination either at normal incidence or at an oblique angle from one direction. In actual experiments, light is focused onto the sample through an annular ring within a range of glancing angles. In this paper, we present a theoretical model capable of accurately simulating the dark-field light source with an annular ring. Simulations correctly reproduce a counterintuitive blue shift in the scattering spectra from gold nanodisks with a diameter beyond 140 nm. We believe that our proposed simulation method can be potentially applied as a general tool capable of simulating the dark-field scattering spectra of plasmonic nanostructures as well as other dielectric nanostructures with sizes beyond the quasi-static limit.

  4. Modelling and Manufacturing of a 3D Printed Trachea for Cricothyroidotomy Simulation.

    PubMed

    Doucet, Gregory; Ryan, Stephen; Bartellas, Michael; Parsons, Michael; Dubrowski, Adam; Renouf, Tia

    2017-08-18

    Cricothyroidotomy is a life-saving medical procedure that allows for tracheal intubation. Most current cricothyroidotomy simulation models are either expensive or not anatomically accurate and provide the learner with an unrealistic simulation experience. The goal of this project is to improve current simulation techniques by utilizing rapid prototyping using 3D printing technology and expert opinions to develop inexpensive and anatomically accurate trachea simulators. In doing so, emergency cricothyroidotomy simulation can be made accessible, accurate, cost-effective and reproducible. Three-dimensional modelling software was used in conjunction with a desktop three-dimensional (3D) printer to design and manufacture an anatomically accurate model of the cartilage within the trachea (thyroid cartilage, cricoid cartilage, and the tracheal rings). The initial design was based on dimensions found in studies of tracheal anatomical configuration. This ensured that the landmarking necessary for emergency cricothyroidotomies was designed appropriately. Several revisions of the original model were made based on informal opinion from medical professionals to establish appropriate anatomical accuracy of the model for use in rural/remote cricothyroidotomy simulation. Using an entry-level desktop 3D printer, a low cost tracheal model was successfully designed that can be printed in less than three hours for only $1.70 Canadian dollars (CAD). Due to its anatomical accuracy, flexibility and durability, this model is great for use in emergency medicine simulation training. Additionally, the model can be assembled in conjunction with a membrane to simulate tracheal ligaments. Skin has been simulated as well to enhance the realism of the model. The result is an accurate simulation that will provide users with an anatomically correct model to practice important skills used in emergency airway surgery, specifically landmarking, incision and intubation. This design is a novel and easy

  5. Modelling and Manufacturing of a 3D Printed Trachea for Cricothyroidotomy Simulation

    PubMed Central

    Ryan, Stephen; Bartellas, Michael; Parsons, Michael; Dubrowski, Adam; Renouf, Tia

    2017-01-01

    Cricothyroidotomy is a life-saving medical procedure that allows for tracheal intubation. Most current cricothyroidotomy simulation models are either expensive or not anatomically accurate and provide the learner with an unrealistic simulation experience. The goal of this project is to improve current simulation techniques by utilizing rapid prototyping using 3D printing technology and expert opinions to develop inexpensive and anatomically accurate trachea simulators. In doing so, emergency cricothyroidotomy simulation can be made accessible, accurate, cost-effective and reproducible. Three-dimensional modelling software was used in conjunction with a desktop three-dimensional (3D) printer to design and manufacture an anatomically accurate model of the cartilage within the trachea (thyroid cartilage, cricoid cartilage, and the tracheal rings). The initial design was based on dimensions found in studies of tracheal anatomical configuration. This ensured that the landmarking necessary for emergency cricothyroidotomies was designed appropriately. Several revisions of the original model were made based on informal opinion from medical professionals to establish appropriate anatomical accuracy of the model for use in rural/remote cricothyroidotomy simulation. Using an entry-level desktop 3D printer, a low cost tracheal model was successfully designed that can be printed in less than three hours for only $1.70 Canadian dollars (CAD). Due to its anatomical accuracy, flexibility and durability, this model is great for use in emergency medicine simulation training. Additionally, the model can be assembled in conjunction with a membrane to simulate tracheal ligaments. Skin has been simulated as well to enhance the realism of the model. The result is an accurate simulation that will provide users with an anatomically correct model to practice important skills used in emergency airway surgery, specifically landmarking, incision and intubation. This design is a novel and easy

  6. Combining Graphical and Analytical Methods with Molecular Simulations To Analyze Time-Resolved FRET Measurements of Labeled Macromolecules Accurately

    PubMed Central

    2017-01-01

    Förster resonance energy transfer (FRET) measurements from a donor, D, to an acceptor, A, fluorophore are frequently used in vitro and in live cells to reveal information on the structure and dynamics of DA labeled macromolecules. Accurate descriptions of FRET measurements by molecular models are complicated because the fluorophores are usually coupled to the macromolecule via flexible long linkers allowing for diffusional exchange between multiple states with different fluorescence properties caused by distinct environmental quenching, dye mobilities, and variable DA distances. It is often assumed for the analysis of fluorescence intensity decays that DA distances and D quenching are uncorrelated (homogeneous quenching by FRET) and that the exchange between distinct fluorophore states is slow (quasistatic). This allows us to introduce the FRET-induced donor decay, εD(t), a function solely depending on the species fraction distribution of the rate constants of energy transfer by FRET, for a convenient joint analysis of fluorescence decays of FRET and reference samples by integrated graphical and analytical procedures. Additionally, we developed a simulation toolkit to model dye diffusion, fluorescence quenching by the protein surface, and FRET. A benchmark study with simulated fluorescence decays of 500 protein structures demonstrates that the quasistatic homogeneous model works very well and recovers for single conformations the average DA distances with an accuracy of < 2%. For more complex cases, where proteins adopt multiple conformations with significantly different dye environments (heterogeneous case), we introduce a general analysis framework and evaluate its power in resolving heterogeneities in DA distances. The developed fast simulation methods, relying on Brownian dynamics of a coarse-grained dye in its sterically accessible volume, allow us to incorporate structural information in the decay analysis for heterogeneous cases by relating dye states

  7. Algorithms and architecture for multiprocessor based circuit simulation

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Deutsch, J.T.

    Accurate electrical simulation is critical to the design of high performance integrated circuits. Logic simulators can verify function and give first-order timing information. Switch level simulators are more effective at dealing with charge sharing than standard logic simulators, but cannot provide accurate timing information or discover DC problems. Delay estimation techniques and cell level simulation can be used in constrained design methods, but must be tuned for each application, and circuit simulation must still be used to generate the cell models. None of these methods has the guaranteed accuracy that many circuit designers desire, and none can provide detailed waveformmore » information. Detailed electrical-level simulation can predict circuit performance if devices and parasitics are modeled accurately. However, the computational requirements of conventional circuit simulators make it impractical to simulate current large circuits. In this dissertation, the implementation of Iterated Timing Analysis (ITA), a relaxation-based technique for accurate circuit simulation, on a special-purpose multiprocessor is presented. The ITA method is an SOR-Newton, relaxation-based method which uses event-driven analysis and selective trace to exploit the temporal sparsity of the electrical network. Because event-driven selective trace techniques are employed, this algorithm lends itself to implementation on a data-driven computer.« less

  8. Avoiding fractional electrons in subsystem DFT based ab-initio molecular dynamics yields accurate models for liquid water and solvated OH radical

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Genova, Alessandro, E-mail: alessandro.genova@rutgers.edu; Pavanello, Michele, E-mail: m.pavanello@rutgers.edu; Ceresoli, Davide, E-mail: davide.ceresoli@cnr.it

    2016-06-21

    In this work we achieve three milestones: (1) we present a subsystem DFT method capable of running ab-initio molecular dynamics simulations accurately and efficiently. (2) In order to rid the simulations of inter-molecular self-interaction error, we exploit the ability of semilocal frozen density embedding formulation of subsystem DFT to represent the total electron density as a sum of localized subsystem electron densities that are constrained to integrate to a preset, constant number of electrons; the success of the method relies on the fact that employed semilocal nonadditive kinetic energy functionals effectively cancel out errors in semilocal exchange–correlation potentials that aremore » linked to static correlation effects and self-interaction. (3) We demonstrate this concept by simulating liquid water and solvated OH{sup •} radical. While the bulk of our simulations have been performed on a periodic box containing 64 independent water molecules for 52 ps, we also simulated a box containing 256 water molecules for 22 ps. The results show that, provided one employs an accurate nonadditive kinetic energy functional, the dynamics of liquid water and OH{sup •} radical are in semiquantitative agreement with experimental results or higher-level electronic structure calculations. Our assessments are based upon comparisons of radial and angular distribution functions as well as the diffusion coefficient of the liquid.« less

  9. Machine Learning of Accurate Energy-Conserving Molecular Force Fields

    NASA Astrophysics Data System (ADS)

    Chmiela, Stefan; Tkatchenko, Alexandre; Sauceda, Huziel; Poltavsky, Igor; Schütt, Kristof; Müller, Klaus-Robert; GDML Collaboration

    Efficient and accurate access to the Born-Oppenheimer potential energy surface (PES) is essential for long time scale molecular dynamics (MD) simulations. Using conservation of energy - a fundamental property of closed classical and quantum mechanical systems - we develop an efficient gradient-domain machine learning (GDML) approach to construct accurate molecular force fields using a restricted number of samples from ab initio MD trajectories (AIMD). The GDML implementation is able to reproduce global potential-energy surfaces of intermediate-size molecules with an accuracy of 0.3 kcal/mol for energies and 1 kcal/mol/Å for atomic forces using only 1000 conformational geometries for training. We demonstrate this accuracy for AIMD trajectories of molecules, including benzene, toluene, naphthalene, malonaldehyde, ethanol, uracil, and aspirin. The challenge of constructing conservative force fields is accomplished in our work by learning in a Hilbert space of vector-valued functions that obey the law of energy conservation. The GDML approach enables quantitative MD simulations for molecules at a fraction of cost of explicit AIMD calculations, thereby allowing the construction of efficient force fields with the accuracy and transferability of high-level ab initio methods.

  10. Computer Simulation of Microwave Devices

    NASA Technical Reports Server (NTRS)

    Kory, Carol L.

    1997-01-01

    The accurate simulation of cold-test results including dispersion, on-axis beam interaction impedance, and attenuation of a helix traveling-wave tube (TWT) slow-wave circuit using the three-dimensional code MAFIA (Maxwell's Equations Solved by the Finite Integration Algorithm) was demonstrated for the first time. Obtaining these results is a critical step in the design of TWT's. A well-established procedure to acquire these parameters is to actually build and test a model or a scale model of the circuit. However, this procedure is time-consuming and expensive, and it limits freedom to examine new variations to the basic circuit. These limitations make the need for computational methods crucial since they can lower costs, reduce tube development time, and lessen limitations on novel designs. Computer simulation has been used to accurately obtain cold-test parameters for several slow-wave circuits. Although the helix slow-wave circuit remains the mainstay of the TWT industry because of its exceptionally wide bandwidth, until recently it has been impossible to accurately analyze a helical TWT using its exact dimensions because of the complexity of its geometrical structure. A new computer modeling technique developed at the NASA Lewis Research Center overcomes these difficulties. The MAFIA three-dimensional mesh for a C-band helix slow-wave circuit is shown.

  11. Accurate atomistic potentials and training sets for boron-nitride nanostructures

    NASA Astrophysics Data System (ADS)

    Tamblyn, Isaac

    Boron nitride nanotubes exhibit exceptional structural, mechanical, and thermal properties. They are optically transparent and have high thermal stability, suggesting a wide range of opportunities for structural reinforcement of materials. Modeling can play an important role in determining the optimal approach to integrating nanotubes into a supporting matrix. Developing accurate, atomistic scale models of such nanoscale interfaces embedded within composites is challenging, however, due to the mismatch of length scales involved. Typical nanotube diameters range from 5-50 nm, with a length as large as a micron (i.e. a relevant length-scale for structural reinforcement). Unlike their carbon-based counterparts, well tested and transferable interatomic force fields are not common for BNNT. In light of this, we have developed an extensive training database of BN rich materials, under conditions relevant for BNNT synthesis and composites based on extensive first principles molecular dynamics simulations. Using this data, we have produced an artificial neural network potential capable of reproducing the accuracy of first principles data at significantly reduced computational cost, allowing for accurate simulation at the much larger length scales needed for composite design.

  12. A numerical simulation of finite-length Taylor-Couette flow

    NASA Technical Reports Server (NTRS)

    Streett, C. L.; Hussaini, M. Y.

    1988-01-01

    Results from numerical simulations of finite-length Taylor-Couette flow are presented. Included are time-accurate and steady-state studies of the change in the nature of the symmetric two-cell/asymmetric one-cell bifurcation with varying aspect ratio and of the Reynolds number/aspect ratio locus of the two-cell/four-cell bifurcation. Preliminary results from wavy-vortex simulations at low aspect ratios are also presented.

  13. Power and type I error results for a bias-correction approach recently shown to provide accurate odds ratios of genetic variants for the secondary phenotypes associated with primary diseases.

    PubMed

    Wang, Jian; Shete, Sanjay

    2011-11-01

    We recently proposed a bias correction approach to evaluate accurate estimation of the odds ratio (OR) of genetic variants associated with a secondary phenotype, in which the secondary phenotype is associated with the primary disease, based on the original case-control data collected for the purpose of studying the primary disease. As reported in this communication, we further investigated the type I error probabilities and powers of the proposed approach, and compared the results to those obtained from logistic regression analysis (with or without adjustment for the primary disease status). We performed a simulation study based on a frequency-matching case-control study with respect to the secondary phenotype of interest. We examined the empirical distribution of the natural logarithm of the corrected OR obtained from the bias correction approach and found it to be normally distributed under the null hypothesis. On the basis of the simulation study results, we found that the logistic regression approaches that adjust or do not adjust for the primary disease status had low power for detecting secondary phenotype associated variants and highly inflated type I error probabilities, whereas our approach was more powerful for identifying the SNP-secondary phenotype associations and had better-controlled type I error probabilities. © 2011 Wiley Periodicals, Inc.

  14. Results of GEANT simulations and comparison with first experiments at DANCE.

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Reifarth, R.; Bredeweg, T. A.; Browne, J. C.

    2003-07-29

    This report describes intensive Monte Carlo simulations carried out to be compared with the results of the first run cycle with DANCE (Detector for Advanced Neutron Capture Experiments). The experimental results were gained during the commissioning phase 2002/2003 with only a part of the array. Based on the results of these simulations the most important items to be improved before the next experiments will be addressed.

  15. Simulation of Benchmark Cases with the Terminal Area Simulation System (TASS)

    NASA Technical Reports Server (NTRS)

    Ahmad, Nash'at; Proctor, Fred

    2011-01-01

    The hydrodynamic core of the Terminal Area Simulation System (TASS) is evaluated against different benchmark cases. In the absence of closed form solutions for the equations governing atmospheric flows, the models are usually evaluated against idealized test cases. Over the years, various authors have suggested a suite of these idealized cases which have become standards for testing and evaluating the dynamics and thermodynamics of atmospheric flow models. In this paper, simulations of three such cases are described. In addition, the TASS model is evaluated against a test case that uses an exact solution of the Navier-Stokes equations. The TASS results are compared against previously reported simulations of these banchmark cases in the literature. It is demonstrated that the TASS model is highly accurate, stable and robust.

  16. Simulation of Benchmark Cases with the Terminal Area Simulation System (TASS)

    NASA Technical Reports Server (NTRS)

    Ahmad, Nashat N.; Proctor, Fred H.

    2011-01-01

    The hydrodynamic core of the Terminal Area Simulation System (TASS) is evaluated against different benchmark cases. In the absence of closed form solutions for the equations governing atmospheric flows, the models are usually evaluated against idealized test cases. Over the years, various authors have suggested a suite of these idealized cases which have become standards for testing and evaluating the dynamics and thermodynamics of atmospheric flow models. In this paper, simulations of three such cases are described. In addition, the TASS model is evaluated against a test case that uses an exact solution of the Navier-Stokes equations. The TASS results are compared against previously reported simulations of these benchmark cases in the literature. It is demonstrated that the TASS model is highly accurate, stable and robust.

  17. First results from simulations of supersymmetric lattices

    NASA Astrophysics Data System (ADS)

    Catterall, Simon

    2009-01-01

    We conduct the first numerical simulations of lattice theories with exact supersymmetry arising from the orbifold constructions of \\cite{Cohen:2003xe,Cohen:2003qw,Kaplan:2005ta}. We consider the Script Q = 4 theory in D = 0,2 dimensions and the Script Q = 16 theory in D = 0,2,4 dimensions. We show that the U(N) theories do not possess vacua which are stable non-perturbatively, but that this problem can be circumvented after truncation to SU(N). We measure the distribution of scalar field eigenvalues, the spectrum of the fermion operator and the phase of the Pfaffian arising after integration over the fermions. We monitor supersymmetry breaking effects by measuring a simple Ward identity. Our results indicate that simulations of Script N = 4 super Yang-Mills may be achievable in the near future.

  18. Multiple Optical Filter Design Simulation Results

    NASA Astrophysics Data System (ADS)

    Mendelsohn, J.; Englund, D. C.

    1986-10-01

    In this paper we continue our investigation of the application of matched filters to robotic vision problems. Specifically, we are concerned with the tray-picking problem. Our principal interest in this paper is the examination of summation affects which arise from attempting to reduce the matched filter memory size by averaging of matched filters. While the implementation of matched filtering theory to applications in pattern recognition or machine vision is ideally through the use of optics and optical correlators, in this paper the results were obtained through a digital simulation of the optical process.

  19. Comparison of methods for accurate end-point detection of potentiometric titrations

    NASA Astrophysics Data System (ADS)

    Villela, R. L. A.; Borges, P. P.; Vyskočil, L.

    2015-01-01

    Detection of the end point in potentiometric titrations has wide application on experiments that demand very low measurement uncertainties mainly for certifying reference materials. Simulations of experimental coulometric titration data and consequential error analysis of the end-point values were conducted using a programming code. These simulations revealed that the Levenberg-Marquardt method is in general more accurate than the traditional second derivative technique used currently as end-point detection for potentiometric titrations. Performance of the methods will be compared and presented in this paper.

  20. Lattice Boltzmann simulations of immiscible displacement process with large viscosity ratios

    NASA Astrophysics Data System (ADS)

    Rao, Parthib; Schaefer, Laura

    2017-11-01

    Immiscible displacement is a key physical mechanism involved in enhanced oil recovery and carbon sequestration processes. This multiphase flow phenomenon involves a complex interplay of viscous, capillary, inertial and wettability effects. The lattice Boltzmann (LB) method is an accurate and efficient technique for modeling and simulating multiphase/multicomponent flows especially in complex flow configurations and media. In this presentation we present numerical simulation results of displacement process in thin long channels. The results are based on a new psuedo-potential multicomponent LB model with multiple relaxation time collision (MRT) model and explicit forcing scheme. We demonstrate that the proposed model is capable of accurately simulating the displacement process involving fluids with a wider range of viscosity ratios (>100) and which also leads to viscosity-independent interfacial tension and reduction of some important numerical artifacts.

  1. Simulations Build Efficacy: Empirical Results from a Four-Week Congressional Simulation

    ERIC Educational Resources Information Center

    Mariani, Mack; Glenn, Brian J.

    2014-01-01

    This article describes a four-week congressional committee simulation implemented in upper level courses on Congress and the Legislative process at two liberal arts colleges. We find that the students participating in the simulation possessed high levels of political knowledge and confidence in their political skills prior to the simulation. An…

  2. Numerical Simulation of Natural Convection of a Nanofluid in an Inclined Heated Enclosure Using Two-Phase Lattice Boltzmann Method: Accurate Effects of Thermophoresis and Brownian Forces.

    PubMed

    Ahmed, Mahmoud; Eslamian, Morteza

    2015-12-01

    Laminar natural convection in differentially heated (β = 0°, where β is the inclination angle), inclined (β = 30° and 60°), and bottom-heated (β = 90°) square enclosures filled with a nanofluid is investigated, using a two-phase lattice Boltzmann simulation approach. The effects of the inclination angle on Nu number and convection heat transfer coefficient are studied. The effects of thermophoresis and Brownian forces which create a relative drift or slip velocity between the particles and the base fluid are included in the simulation. The effect of thermophoresis is considered using an accurate and quantitative formula proposed by the authors. Some of the existing results on natural convection are erroneous due to using wrong thermophoresis models or simply ignoring the effect. Here we show that thermophoresis has a considerable effect on heat transfer augmentation in laminar natural convection. Our non-homogenous modeling approach shows that heat transfer in nanofluids is a function of the inclination angle and Ra number. It also reveals some details of flow behavior which cannot be captured by single-phase models. The minimum heat transfer rate is associated with β = 90° (bottom-heated) and the maximum heat transfer rate occurs in an inclination angle which varies with the Ra number.

  3. Fast Plasma Instrument for MMS: Simulation Results

    NASA Technical Reports Server (NTRS)

    Figueroa-Vinas, Adolfo; Adrian, Mark L.; Lobell, James V.; Simpson, David G.; Barrie, Alex; Winkert, George E.; Yeh, Pen-Shu; Moore, Thomas E.

    2008-01-01

    Magnetospheric Multiscale (MMS) mission will study small-scale reconnection structures and their rapid motions from closely spaced platforms using instruments capable of high angular, energy, and time resolution measurements. The Dual Electron Spectrometer (DES) of the Fast Plasma Instrument (FPI) for MMS meets these demanding requirements by acquiring the electron velocity distribution functions (VDFs) for the full sky with high-resolution angular measurements every 30 ms. This will provide unprecedented access to electron scale dynamics within the reconnection diffusion region. The DES consists of eight half-top-hat energy analyzers. Each analyzer has a 6 deg. x 11.25 deg. Full-sky coverage is achieved by electrostatically stepping the FOV of each of the eight sensors through four discrete deflection look directions. Data compression and burst memory management will provide approximately 30 minutes of high time resolution data during each orbit of the four MMS spacecraft. Each spacecraft will intelligently downlink the data sequences that contain the greatest amount of temporal structure. Here we present the results of a simulation of the DES analyzer measurements, data compression and decompression, as well as ground-based analysis using as a seed re-processed Cluster/PEACE electron measurements. The Cluster/PEACE electron measurements have been reprocessed through virtual DES analyzers with their proper geometrical, energy, and timing scale factors and re-mapped via interpolation to the DES angular and energy phase-space sampling measurements. The results of the simulated DES measurements are analyzed and the full moments of the simulated VDFs are compared with those obtained from the Cluster/PEACE spectrometer using a standard quadrature moment, a newly implemented spectral spherical harmonic method, and a singular value decomposition method. Our preliminary moment calculations show a remarkable agreement within the uncertainties of the measurements, with the

  4. On the accurate analysis of vibroacoustics in head insert gradient coils.

    PubMed

    Winkler, Simone A; Alejski, Andrew; Wade, Trevor; McKenzie, Charles A; Rutt, Brian K

    2017-10-01

    To accurately analyze vibroacoustics in MR head gradient coils. A detailed theoretical model for gradient coil vibroacoustics, including the first description and modeling of Lorentz damping, is introduced and implemented in a multiphysics software package. Numerical finite-element method simulations were used to establish a highly accurate vibroacoustic model in head gradient coils in detail, including the newly introduced Lorentz damping effect. Vibroacoustic coupling was examined through an additional modal analysis. Thorough experimental studies were used to validate simulations. Average experimental sound pressure levels (SPLs) and accelerations over the 0-3000 Hz frequency range were 97.6 dB, 98.7 dB, and 95.4 dB, as well as 20.6 g, 8.7 g, and 15.6 g for the X-, Y-, and Z-gradients, respectively. A reasonable agreement between simulations and measurements was achieved. Vibroacoustic coupling showed a coupled resonance at 2300 Hz for the Z-gradient that is responsible for a sharp peak and the highest SPL value in the acoustic spectrum. We have developed and used more realistic multiphysics simulation methods to gain novel insights into the underlying concepts for vibroacoustics in head gradient coils, which will permit improved analyses of existing gradient coils and novel SPL reduction strategies for future gradient coil designs. Magn Reson Med 78:1635-1645, 2017. © 2016 International Society for Magnetic Resonance in Medicine. © 2016 International Society for Magnetic Resonance in Medicine.

  5. A Fast and Accurate Method of Radiation Hydrodynamics Calculation in Spherical Symmetry

    NASA Astrophysics Data System (ADS)

    Stamer, Torsten; Inutsuka, Shu-ichiro

    2018-06-01

    We develop a new numerical scheme for solving the radiative transfer equation in a spherically symmetric system. This scheme does not rely on any kind of diffusion approximation, and it is accurate for optically thin, thick, and intermediate systems. In the limit of a homogeneously distributed extinction coefficient, our method is very accurate and exceptionally fast. We combine this fast method with a slower but more generally applicable method to describe realistic problems. We perform various test calculations, including a simplified protostellar collapse simulation. We also discuss possible future improvements.

  6. Using Large Signal Code TESLA for Wide Band Klystron Simulations

    DTIC Science & Technology

    2006-04-01

    tuning procedure TESLA simulates of high power klystron [3]. accurately actual eigenmodes of the structure as a solution Wide band klystrons very often...on band klystrons with two-gap two-mode resonators. The decomposition of simulation region into an external results of TESLA simulations for NRL S ...UNCLASSIFIED Defense Technical Information Center Compilation Part Notice ADP022454 TITLE: Using Large Signal Code TESLA for Wide Band Klystron

  7. Accurate atomistic first-principles calculations of electronic stopping

    DOE PAGES

    Schleife, André; Kanai, Yosuke; Correa, Alfredo A.

    2015-01-20

    In this paper, we show that atomistic first-principles calculations based on real-time propagation within time-dependent density functional theory are capable of accurately describing electronic stopping of light projectile atoms in metal hosts over a wide range of projectile velocities. In particular, we employ a plane-wave pseudopotential scheme to solve time-dependent Kohn-Sham equations for representative systems of H and He projectiles in crystalline aluminum. This approach to simulate nonadiabatic electron-ion interaction provides an accurate framework that allows for quantitative comparison with experiment without introducing ad hoc parameters such as effective charges, or assumptions about the dielectric function. Finally, our work clearlymore » shows that this atomistic first-principles description of electronic stopping is able to disentangle contributions due to tightly bound semicore electrons and geometric aspects of the stopping geometry (channeling versus off-channeling) in a wide range of projectile velocities.« less

  8. Analysis of the impact of simulation model simplifications on the quality of low-energy buildings simulation results

    NASA Astrophysics Data System (ADS)

    Klimczak, Marcin; Bojarski, Jacek; Ziembicki, Piotr; Kęskiewicz, Piotr

    2017-11-01

    The requirements concerning energy performance of buildings and their internal installations, particularly HVAC systems, have been growing continuously in Poland and all over the world. The existing, traditional calculation methods following from the static heat exchange model are frequently not sufficient for a reasonable heating design of a building. Both in Poland and elsewhere in the world, methods and software are employed which allow a detailed simulation of the heating and moisture conditions in a building, and also an analysis of the performance of HVAC systems within a building. However, these systems are usually difficult in use and complex. In addition, the development of a simulation model that is sufficiently adequate to the real building requires considerable time involvement of a designer, is time-consuming and laborious. A simplification of the simulation model of a building renders it possible to reduce the costs of computer simulations. The paper analyses in detail the effect of introducing a number of different variants of the simulation model developed in Design Builder on the quality of final results obtained. The objective of this analysis is to find simplifications which allow obtaining simulation results which have an acceptable level of deviations from the detailed model, thus facilitating a quick energy performance analysis of a given building.

  9. Results of a joint NOAA/NASA sounder simulation study

    NASA Technical Reports Server (NTRS)

    Phillips, N.; Susskind, Joel; Mcmillin, L.

    1988-01-01

    This paper presents the results of a joint NOAA and NASA sounder simulation study in which the accuracies of atmospheric temperature profiles and surface skin temperature measuremnents retrieved from two sounders were compared: (1) the currently used IR temperature sounder HIRS2 (High-resolution Infrared Radiation Sounder 2); and (2) the recently proposed high-spectral-resolution IR sounder AMTS (Advanced Moisture and Temperature Sounder). Simulations were conducted for both clear and partial cloud conditions. Data were analyzed at NASA using a physical inversion technique and at NOAA using a statistical technique. Results show significant improvement of AMTS compared to HIRS2 for both clear and cloudy conditions. The improvements are indicated by both methods of data analysis, but the physical retrievals outperform the statistical retrievals.

  10. [Results of Simulation Studies

    NASA Technical Reports Server (NTRS)

    2003-01-01

    Lattice Monte Carlo and off-lattice molecular dynamics simulations of h(sub 1)t(sub 4) and h(sub 4)t(sub l) (head/tail) amphiphile solutions have been performed as a function of surfactant concentration and temperature. The lattice and off-lattice systems exhibit quite different self-assembly behavior at equivalent thermodynamic conditions. We found that in the weakly aggregating regime (no preferred-size micelles), all models yield similar micelle size distributions at the same average aggregation number, albeit at different thermodynamic conditions (temperatures). In the strongly aggregating regime, this mapping between models (through temperature adjustment) fails, and the models exhibit qualitatively different micellization behavior. Incipient micellization in a model self-associating telechelic polymer solution results in a network with a transient elastic response that decays by a two-step relaxation: the first is due to a heterogeneous jump-diffusion process involving entrapment of end-groups within well-defined clusters and this is followed by rapid diffusion to neighboring clusters and a decay (terminal relaxation) due to cluster disintegration. The viscoelastic response of the solution manifests characteristics of a glass transition and entangled polymer network.

  11. LES-ODT Simulations of Turbulent Reacting Shear Layers

    NASA Astrophysics Data System (ADS)

    Hoffie, Andreas; Echekki, Tarek

    2012-11-01

    Large-eddy simulations (LES) combined with the one-dimensional turbulence (ODT) simulations of a spatially developing turbulent reacting shear layer with heat release and high Reynolds numbers were conducted and compared to results from direct numerical simulations (DNS) of the same configuration. The LES-ODT approach is based on LES solutions for momentum on a coarse grid and solutions for momentum and reactive scalars on a fine ODT grid, which is embedded in the LES computational domain. The shear layer is simulated with a single-step, second-order reaction with an Arrhenius reaction rate. The transport equations are solved using a low Mach number approximation. The LES-ODT simulations yield reasonably accurate predictions of turbulence and passive/reactive scalars' statistics compared to DNS results.

  12. On the role of numerical simulations in studies of reduced gravity-induced physiological effects in humans. Results from NELME.

    NASA Astrophysics Data System (ADS)

    Perez-Poch, Antoni

    Computer simulations are becoming a promising research line of work, as physiological models become more and more sophisticated and reliable. Technological advances in state-of-the-art hardware technology and software allow nowadays for better and more accurate simulations of complex phenomena, such as the response of the human cardiovascular system to long-term exposure to microgravity. Experimental data for long-term missions are difficult to achieve and reproduce, therefore the predictions of computer simulations are of a major importance in this field. Our approach is based on a previous model developed and implemented in our laboratory (NELME: Numercial Evaluation of Long-term Microgravity Effects). The software simulates the behaviour of the cardiovascular system and different human organs, has a modular archi-tecture, and allows to introduce perturbations such as physical exercise or countermeasures. The implementation is based on a complex electrical-like model of this control system, using inexpensive development frameworks, and has been tested and validated with the available experimental data. The objective of this work is to analyse and simulate long-term effects and gender differences when individuals are exposed to long-term microgravity. Risk probability of a health impairement which may put in jeopardy a long-term mission is also evaluated. . Gender differences have been implemented for this specific work, as an adjustment of a number of parameters that are included in the model. Women versus men physiological differences have been therefore taken into account, based upon estimations from the physiology bibliography. A number of simulations have been carried out for long-term exposure to microgravity. Gravity varying continuosly from Earth-based to zero, and time exposure are the two main variables involved in the construction of results, including responses to patterns of physical aerobic ex-ercise and thermal stress simulating an extra

  13. An accurate and efficient laser-envelope solver for the modeling of laser-plasma accelerators

    DOE PAGES

    Benedetti, C.; Schroeder, C. B.; Geddes, C. G. R.; ...

    2017-10-17

    Detailed and reliable numerical modeling of laser-plasma accelerators (LPAs), where a short and intense laser pulse interacts with an underdense plasma over distances of up to a meter, is a formidably challenging task. This is due to the great disparity among the length scales involved in the modeling, ranging from the micron scale of the laser wavelength to the meter scale of the total laser-plasma interaction length. The use of the time-averaged ponderomotive force approximation, where the laser pulse is described by means of its envelope, enables efficient modeling of LPAs by removing the need to model the details ofmore » electron motion at the laser wavelength scale. Furthermore, it allows simulations in cylindrical geometry which captures relevant 3D physics at 2D computational cost. A key element of any code based on the time-averaged ponderomotive force approximation is the laser envelope solver. In this paper we present the accurate and efficient envelope solver used in the code INF & RNO (INtegrated Fluid & paRticle simulatioN cOde). The features of the INF & RNO laser solver enable an accurate description of the laser pulse evolution deep into depletion even at a reasonably low resolution, resulting in significant computational speed-ups.« less

  14. An accurate and efficient laser-envelope solver for the modeling of laser-plasma accelerators

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Benedetti, C.; Schroeder, C. B.; Geddes, C. G. R.

    Detailed and reliable numerical modeling of laser-plasma accelerators (LPAs), where a short and intense laser pulse interacts with an underdense plasma over distances of up to a meter, is a formidably challenging task. This is due to the great disparity among the length scales involved in the modeling, ranging from the micron scale of the laser wavelength to the meter scale of the total laser-plasma interaction length. The use of the time-averaged ponderomotive force approximation, where the laser pulse is described by means of its envelope, enables efficient modeling of LPAs by removing the need to model the details ofmore » electron motion at the laser wavelength scale. Furthermore, it allows simulations in cylindrical geometry which captures relevant 3D physics at 2D computational cost. A key element of any code based on the time-averaged ponderomotive force approximation is the laser envelope solver. In this paper we present the accurate and efficient envelope solver used in the code INF & RNO (INtegrated Fluid & paRticle simulatioN cOde). The features of the INF & RNO laser solver enable an accurate description of the laser pulse evolution deep into depletion even at a reasonably low resolution, resulting in significant computational speed-ups.« less

  15. An accurate and efficient laser-envelope solver for the modeling of laser-plasma accelerators

    NASA Astrophysics Data System (ADS)

    Benedetti, C.; Schroeder, C. B.; Geddes, C. G. R.; Esarey, E.; Leemans, W. P.

    2018-01-01

    Detailed and reliable numerical modeling of laser-plasma accelerators (LPAs), where a short and intense laser pulse interacts with an underdense plasma over distances of up to a meter, is a formidably challenging task. This is due to the great disparity among the length scales involved in the modeling, ranging from the micron scale of the laser wavelength to the meter scale of the total laser-plasma interaction length. The use of the time-averaged ponderomotive force approximation, where the laser pulse is described by means of its envelope, enables efficient modeling of LPAs by removing the need to model the details of electron motion at the laser wavelength scale. Furthermore, it allows simulations in cylindrical geometry which captures relevant 3D physics at 2D computational cost. A key element of any code based on the time-averaged ponderomotive force approximation is the laser envelope solver. In this paper we present the accurate and efficient envelope solver used in the code INF&RNO (INtegrated Fluid & paRticle simulatioN cOde). The features of the INF&RNO laser solver enable an accurate description of the laser pulse evolution deep into depletion even at a reasonably low resolution, resulting in significant computational speed-ups.

  16. Accurate Treatment of Collision and Water-Delivery in Models of Terrestrial Planet Formation

    NASA Astrophysics Data System (ADS)

    Haghighipour, N.; Maindl, T. I.; Schaefer, C. M.; Wandel, O.

    2017-08-01

    We have developed a comprehensive approach in simulating collisions and growth of embryos to terrestrial planets where we use a combination of SPH and N-body codes to model collisions and the transfer of water and chemical compounds accurately.

  17. Simulation of realistic retinoscopic measurement

    NASA Astrophysics Data System (ADS)

    Tan, Bo; Chen, Ying-Ling; Baker, K.; Lewis, J. W.; Swartz, T.; Jiang, Y.; Wang, M.

    2007-03-01

    Realistic simulation of ophthalmic measurements on normal and diseased eyes is presented. We use clinical data of ametropic and keratoconus patients to construct anatomically accurate three-dimensional eye models and simulate the measurement of a streak retinoscope with all the optical elements. The results show the clinical observations including the anomalous motion in high myopia and the scissors reflex in keratoconus. The demonstrated technique can be applied to other ophthalmic instruments and to other and more extensively abnormal eye conditions. It provides promising features for medical training and for evaluating and developing ocular instruments.

  18. Proton Upset Monte Carlo Simulation

    NASA Technical Reports Server (NTRS)

    O'Neill, Patrick M.; Kouba, Coy K.; Foster, Charles C.

    2009-01-01

    The Proton Upset Monte Carlo Simulation (PROPSET) program calculates the frequency of on-orbit upsets in computer chips (for given orbits such as Low Earth Orbit, Lunar Orbit, and the like) from proton bombardment based on the results of heavy ion testing alone. The software simulates the bombardment of modern microelectronic components (computer chips) with high-energy (.200 MeV) protons. The nuclear interaction of the proton with the silicon of the chip is modeled and nuclear fragments from this interaction are tracked using Monte Carlo techniques to produce statistically accurate predictions.

  19. An accurate halo model for fitting non-linear cosmological power spectra and baryonic feedback models

    NASA Astrophysics Data System (ADS)

    Mead, A. J.; Peacock, J. A.; Heymans, C.; Joudaki, S.; Heavens, A. F.

    2015-12-01

    We present an optimized variant of the halo model, designed to produce accurate matter power spectra well into the non-linear regime for a wide range of cosmological models. To do this, we introduce physically motivated free parameters into the halo-model formalism and fit these to data from high-resolution N-body simulations. For a variety of Λ cold dark matter (ΛCDM) and wCDM models, the halo-model power is accurate to ≃ 5 per cent for k ≤ 10h Mpc-1 and z ≤ 2. An advantage of our new halo model is that it can be adapted to account for the effects of baryonic feedback on the power spectrum. We demonstrate this by fitting the halo model to power spectra from the OWLS (OverWhelmingly Large Simulations) hydrodynamical simulation suite via parameters that govern halo internal structure. We are able to fit all feedback models investigated at the 5 per cent level using only two free parameters, and we place limits on the range of these halo parameters for feedback models investigated by the OWLS simulations. Accurate predictions to high k are vital for weak-lensing surveys, and these halo parameters could be considered nuisance parameters to marginalize over in future analyses to mitigate uncertainty regarding the details of feedback. Finally, we investigate how lensing observables predicted by our model compare to those from simulations and from HALOFIT for a range of k-cuts and feedback models and quantify the angular scales at which these effects become important. Code to calculate power spectra from the model presented in this paper can be found at https://github.com/alexander-mead/hmcode.

  20. Petascale Kinetic Simulations in Space Sciences: New Simulations and Data Discovery Techniques and Physics Results

    NASA Astrophysics Data System (ADS)

    Karimabadi, Homa

    2012-03-01

    Recent advances in simulation technology and hardware are enabling breakthrough science where many longstanding problems can now be addressed for the first time. In this talk, we focus on kinetic simulations of the Earth's magnetosphere and magnetic reconnection process which is the key mechanism that breaks the protective shield of the Earth's dipole field, allowing the solar wind to enter the Earth's magnetosphere. This leads to the so-called space weather where storms on the Sun can affect space-borne and ground-based technological systems on Earth. The talk will consist of three parts: (a) overview of a new multi-scale simulation technique where each computational grid is updated based on its own unique timestep, (b) Presentation of a new approach to data analysis that we refer to as Physics Mining which entails combining data mining and computer vision algorithms with scientific visualization to extract physics from the resulting massive data sets. (c) Presentation of several recent discoveries in studies of space plasmas including the role of vortex formation and resulting turbulence in magnetized plasmas.

  1. Numerical simulation and characterization of trapping noise in InGaP-GaAs heterojunctions devices at high injection

    NASA Astrophysics Data System (ADS)

    Nallatamby, Jean-Christophe; Abdelhadi, Khaled; Jacquet, Jean-Claude; Prigent, Michel; Floriot, Didier; Delage, Sylvain; Obregon, Juan

    2013-03-01

    Commercially available simulators present considerable advantages in performing accurate DC, AC and transient simulations of semiconductor devices, including many fundamental and parasitic effects which are not generally taken into account in house-made simulators. Nevertheless, while the TCAD simulators of the public domain we have tested give accurate results for the simulation of diffusion noise, none of the tested simulators perform trap-assisted GR noise accurately. In order to overcome the aforementioned problem we propose a robust solution to accurately simulate GR noise due to traps. It is based on numerical processing of the output data of one of the simulators available in the public-domain, namely SENTAURUS (from Synopsys). We have linked together, through a dedicated Data Access Component (DAC), the deterministic output data available from SENTAURUS and a powerful, customizable post-processing tool developed on the mathematical SCILAB software package. Thus, robust simulations of GR noise in semiconductor devices can be performed by using GR Langevin sources associated to the scalar Green functions responses of the device. Our method takes advantage of the accuracy of the deterministic simulations of electronic devices obtained with SENTAURUS. A Comparison between 2-D simulations and measurements of low frequency noise on InGaP-GaAs heterojunctions, at low as well as high injection levels, demonstrates the validity of the proposed simulation tool.

  2. A simple and accurate rule-based modeling framework for simulation of autocrine/paracrine stimulation of glioblastoma cell motility and proliferation by L1CAM in 2-D culture.

    PubMed

    Caccavale, Justin; Fiumara, David; Stapf, Michael; Sweitzer, Liedeke; Anderson, Hannah J; Gorky, Jonathan; Dhurjati, Prasad; Galileo, Deni S

    2017-12-11

    Glioblastoma multiforme (GBM) is a devastating brain cancer for which there is no known cure. Its malignancy is due to rapid cell division along with high motility and invasiveness of cells into the brain tissue. Simple 2-dimensional laboratory assays (e.g., a scratch assay) commonly are used to measure the effects of various experimental perturbations, such as treatment with chemical inhibitors. Several mathematical models have been developed to aid the understanding of the motile behavior and proliferation of GBM cells. However, many are mathematically complicated, look at multiple interdependent phenomena, and/or use modeling software not freely available to the research community. These attributes make the adoption of models and simulations of even simple 2-dimensional cell behavior an uncommon practice by cancer cell biologists. Herein, we developed an accurate, yet simple, rule-based modeling framework to describe the in vitro behavior of GBM cells that are stimulated by the L1CAM protein using freely available NetLogo software. In our model L1CAM is released by cells to act through two cell surface receptors and a point of signaling convergence to increase cell motility and proliferation. A simple graphical interface is provided so that changes can be made easily to several parameters controlling cell behavior, and behavior of the cells is viewed both pictorially and with dedicated graphs. We fully describe the hierarchical rule-based modeling framework, show simulation results under several settings, describe the accuracy compared to experimental data, and discuss the potential usefulness for predicting future experimental outcomes and for use as a teaching tool for cell biology students. It is concluded that this simple modeling framework and its simulations accurately reflect much of the GBM cell motility behavior observed experimentally in vitro in the laboratory. Our framework can be modified easily to suit the needs of investigators interested in other

  3. An accurate reactive power control study in virtual flux droop control

    NASA Astrophysics Data System (ADS)

    Wang, Aimeng; Zhang, Jia

    2017-12-01

    This paper investigates the problem of reactive power sharing based on virtual flux droop method. Firstly, flux droop control method is derived, where complicated multiple feedback loops and parameter regulation are avoided. Then, the reasons for inaccurate reactive power sharing are theoretically analyzed. Further, a novel reactive power control scheme is proposed which consists of three parts: compensation control, voltage recovery control and flux droop control. Finally, the proposed reactive power control strategy is verified in a simplified microgrid model with two parallel DGs. The simulation results show that the proposed control scheme can achieve accurate reactive power sharing and zero deviation of voltage. Meanwhile, it has some advantages of simple control and excellent dynamic and static performance.

  4. Individuals Achieve More Accurate Results with Meters That Are Codeless and Employ Dynamic Electrochemistry

    PubMed Central

    Rao, Anoop; Wiley, Meg; Iyengar, Sridhar; Nadeau, Dan; Carnevale, Julie

    2010-01-01

    Background Studies have shown that controlling blood glucose can reduce the onset and progression of the long-term microvascular and neuropathic complications associated with the chronic course of diabetes mellitus. Improved glycemic control can be achieved by frequent testing combined with changes in medication, exercise, and diet. Technological advancements have enabled improvements in analytical accuracy of meters, and this paper explores two such parameters to which that accuracy can be attributed. Methods Four blood glucose monitoring systems (with or without dynamic electrochemistry algorithms, codeless or requiring coding prior to testing) were evaluated and compared with respect to their accuracy. Results Altogether, 108 blood glucose values were obtained for each system from 54 study participants and compared with the reference values. The analysis depicted in the International Organization for Standardization table format indicates that the devices with dynamic electrochemistry and the codeless feature had the highest proportion of acceptable results overall (System A, 101/103). Results were significant when compared at the 10% bias level with meters that were codeless and utilized static electrochemistry (p = .017) or systems that had static electrochemistry but needed coding (p = .008). Conclusions Analytical performance of these blood glucose meters differed significantly depending on their technologic features. Meters that utilized dynamic electrochemistry and did not require coding were more accurate than meters that used static electrochemistry or required coding. PMID:20167178

  5. Combining DSMC Simulations and ROSINA/COPS Data of Comet 67P/Churyumov-Gerasimenko to Develop a Realistic Empirical Coma Model and to Determine Accurate Production Rates

    NASA Astrophysics Data System (ADS)

    Hansen, K. C.; Fougere, N.; Bieler, A. M.; Altwegg, K.; Combi, M. R.; Gombosi, T. I.; Huang, Z.; Rubin, M.; Tenishev, V.; Toth, G.; Tzou, C. Y.

    2015-12-01

    We have previously published results from the AMPS DSMC (Adaptive Mesh Particle Simulator Direct Simulation Monte Carlo) model and its characterization of the neutral coma of comet 67P/Churyumov-Gerasimenko through detailed comparison with data collected by the ROSINA/COPS (Rosetta Orbiter Spectrometer for Ion and Neutral Analysis/COmet Pressure Sensor) instrument aboard the Rosetta spacecraft [Bieler, 2015]. Results from these DSMC models have been used to create an empirical model of the near comet coma (<200 km) of comet 67P. The empirical model characterizes the neutral coma in a comet centered, sun fixed reference frame as a function of heliocentric distance, radial distance from the comet, local time and declination. The model is a significant improvement over more simple empirical models, such as the Haser model. While the DSMC results are a more accurate representation of the coma at any given time, the advantage of a mean state, empirical model is the ease and speed of use. One use of such an empirical model is in the calculation of a total cometary coma production rate from the ROSINA/COPS data. The COPS data are in situ measurements of gas density and velocity along the ROSETTA spacecraft track. Converting the measured neutral density into a production rate requires knowledge of the neutral gas distribution in the coma. Our empirical model provides this information and therefore allows us to correct for the spacecraft location to calculate a production rate as a function of heliocentric distance. We will present the full empirical model as well as the calculated neutral production rate for the period of August 2014 - August 2015 (perihelion).

  6. Can phenological models predict tree phenology accurately under climate change conditions?

    NASA Astrophysics Data System (ADS)

    Chuine, Isabelle; Bonhomme, Marc; Legave, Jean Michel; García de Cortázar-Atauri, Inaki; Charrier, Guillaume; Lacointe, André; Améglio, Thierry

    2014-05-01

    or compromise dormancy break at the species equatorward range limits leading to a delay or even impossibility to flower or set new leaves. These models are classically parameterized with flowering or budburst dates only, with no information on the dormancy break date because this information is very scarce. We evaluated the efficiency of a set of process-based phenological models to accurately predict the dormancy break dates of four fruit trees. Our results show that models calibrated solely with flowering or budburst dates do not accurately predict the dormancy break date. Providing dormancy break date for the model parameterization results in much more accurate simulation of this latter, with however a higher error than that on flowering or bud break dates. But most importantly, we show also that models not calibrated with dormancy break dates can generate significant differences in forecasted flowering or bud break dates when using climate scenarios. Our results claim for the urgent need of massive measurements of dormancy break dates in forest and fruit trees to yield more robust projections of phenological changes in a near future.

  7. Radiometrically accurate scene-based nonuniformity correction for array sensors.

    PubMed

    Ratliff, Bradley M; Hayat, Majeed M; Tyo, J Scott

    2003-10-01

    A novel radiometrically accurate scene-based nonuniformity correction (NUC) algorithm is described. The technique combines absolute calibration with a recently reported algebraic scene-based NUC algorithm. The technique is based on the following principle: First, detectors that are along the perimeter of the focal-plane array are absolutely calibrated; then the calibration is transported to the remaining uncalibrated interior detectors through the application of the algebraic scene-based algorithm, which utilizes pairs of image frames exhibiting arbitrary global motion. The key advantage of this technique is that it can obtain radiometric accuracy during NUC without disrupting camera operation. Accurate estimates of the bias nonuniformity can be achieved with relatively few frames, which can be fewer than ten frame pairs. Advantages of this technique are discussed, and a thorough performance analysis is presented with use of simulated and real infrared imagery.

  8. Accurate Phylogenetic Tree Reconstruction from Quartets: A Heuristic Approach

    PubMed Central

    Reaz, Rezwana; Bayzid, Md. Shamsuzzoha; Rahman, M. Sohel

    2014-01-01

    Supertree methods construct trees on a set of taxa (species) combining many smaller trees on the overlapping subsets of the entire set of taxa. A ‘quartet’ is an unrooted tree over taxa, hence the quartet-based supertree methods combine many -taxon unrooted trees into a single and coherent tree over the complete set of taxa. Quartet-based phylogeny reconstruction methods have been receiving considerable attentions in the recent years. An accurate and efficient quartet-based method might be competitive with the current best phylogenetic tree reconstruction methods (such as maximum likelihood or Bayesian MCMC analyses), without being as computationally intensive. In this paper, we present a novel and highly accurate quartet-based phylogenetic tree reconstruction method. We performed an extensive experimental study to evaluate the accuracy and scalability of our approach on both simulated and biological datasets. PMID:25117474

  9. Earth resources mission performance studies. Volume 2: Simulation results

    NASA Technical Reports Server (NTRS)

    1974-01-01

    Simulations were made at three month intervals to investigate the EOS mission performance over the four seasons of the year. The basic objectives of the study were: (1) to evaluate the ability of an EOS type system to meet a representative set of specific collection requirements, and (2) to understand the capabilities and limitations of the EOS that influence the system's ability to satisfy certain collection objectives. Although the results were obtained from a consideration of a two sensor EOS system, the analysis can be applied to any remote sensing system having similar optical and operational characteristics. While the category related results are applicable only to the specified requirement configuration, the results relating to general capability and limitations of the sensors can be applied in extrapolating to other U.S. based EOS collection requirements. The TRW general purpose mission simulator and analytic techniques discussed in this report can be applied to a wide range of collection and planning problems of earth orbiting imaging systems.

  10. A method for data handling numerical results in parallel OpenFOAM simulations

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Anton, Alin; Muntean, Sebastian

    Parallel computational fluid dynamics simulations produce vast amount of numerical result data. This paper introduces a method for reducing the size of the data by replaying the interprocessor traffic. The results are recovered only in certain regions of interest configured by the user. A known test case is used for several mesh partitioning scenarios using the OpenFOAM toolkit{sup ®}[1]. The space savings obtained with classic algorithms remain constant for more than 60 Gb of floating point data. Our method is most efficient on large simulation meshes and is much better suited for compressing large scale simulation results than the regular algorithms.

  11. Accurate acoustic power measurement for low-intensity focused ultrasound using focal axial vibration velocity

    NASA Astrophysics Data System (ADS)

    Tao, Chenyang; Guo, Gepu; Ma, Qingyu; Tu, Juan; Zhang, Dong; Hu, Jimin

    2017-07-01

    Low-intensity focused ultrasound is a form of therapy that can have reversible acoustothermal effects on biological tissue, depending on the exposure parameters. The acoustic power (AP) should be chosen with caution for the sake of safety. To recover the energy of counteracted radial vibrations at the focal point, an accurate AP measurement method using the focal axial vibration velocity (FAVV) is proposed in explicit formulae and is demonstrated experimentally using a laser vibrometer. The experimental APs for two transducers agree well with theoretical calculations and numerical simulations, showing that AP is proportional to the square of the FAVV, with a fixed power gain determined by the physical parameters of the transducers. The favorable results suggest that the FAVV can be used as a valuable parameter for non-contact AP measurement, providing a new strategy for accurate power control for low-intensity focused ultrasound in biomedical engineering.

  12. Space Geodetic Technique Co-location in Space: Simulation Results for the GRASP Mission

    NASA Astrophysics Data System (ADS)

    Kuzmicz-Cieslak, M.; Pavlis, E. C.

    2011-12-01

    The Global Geodetic Observing System-GGOS, places very stringent requirements in the accuracy and stability of future realizations of the International Terrestrial Reference Frame (ITRF): an origin definition at 1 mm or better at epoch and a temporal stability on the order of 0.1 mm/y, with similar numbers for the scale (0.1 ppb) and orientation components. These goals were derived from the requirements of Earth science problems that are currently the international community's highest priority. None of the geodetic positioning techniques can achieve this goal alone. This is due in part to the non-observability of certain attributes from a single technique. Another limitation is imposed from the extent and uniformity of the tracking network and the schedule of observational availability and number of suitable targets. The final limitation derives from the difficulty to "tie" the reference points of each technique at the same site, to an accuracy that will support the GGOS goals. The future GGOS network will address decisively the ground segment and to certain extent the space segment requirements. The JPL-proposed multi-technique mission GRASP (Geodetic Reference Antenna in Space) attempts to resolve the accurate tie between techniques, using their co-location in space, onboard a well-designed spacecraft equipped with GNSS receivers, a SLR retroreflector array, a VLBI beacon and a DORIS system. Using the anticipated system performance for all four techniques at the time the GGOS network is completed (ca 2020), we generated a number of simulated data sets for the development of a TRF. Our simulation studies examine the degree to which GRASP can improve the inter-technique "tie" issue compared to the classical approach, and the likely modus operandi for such a mission. The success of the examined scenarios is judged by the quality of the origin and scale definition of the resulting TRF.

  13. Migrating Shoals on Ebb-tidal Deltas: Results from Numerical Simulations

    NASA Astrophysics Data System (ADS)

    van der Vegt, M.; Ridderinkhof, W.; De Swart, H. E.; Hoekstra, P.

    2016-02-01

    Many ebb-tidal deltas show repetitive patterns of channel- shoal generation, migration and attachment of shoals to the downdrift barrier coast. For the Wadden Sea coast along the Dutch, German en Danish coastline the typical time scale of shoal attachment ranges from several to hundred years. There is a weak correlation between the tidal prism and the typical time scale of shoal attachment. The main aim of this research is to clarify the physical processes that result in the formation of shoals on ebb-tidal deltas and to study what determines their propagation speed. To this end numerical simulations were performed in Delft3D. Starting from an idealized geometry with a sloping bed on the shelf sea and a flat bed in the back barrier basin, the model was spun up until an approximate morphodynamic steady state was realized. The model was forced with tides and constant wave forcing based on the yearly average conditions along the Dutch Wadden coast. The resulting ebb-tidal delta is called the equilibrium delta. Next, two types of scenarios were run. First, the equilibrium delta was breached by creating a channel and adding the removed sand volume to the downdrift shoal. Second, the wave climate was made more realistic by adding storms and subsequently its effect on the equilibrium delta was simulated. Based on the model results we conclude the following. First, the model is able to realistically simulate the migration of shoals and the attachment to the downdrift barrier island. Second, larger waves result in faster propagation of the shoals. Third, simulations suggest that shoals only migrate when they are shallower than a critical maximum depth with respect to the wave height. These shallow shoals can be `man-made' or be generated during storms. When no storms were added to the wave climate and the bed was not artificially disturbed, no migrating shoals were simulated. During the presentation the underlying physical processes will be discussed in detail.

  14. TU-EF-204-01: Accurate Prediction of CT Tube Current Modulation: Estimating Tube Current Modulation Schemes for Voxelized Patient Models Used in Monte Carlo Simulations

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    McMillan, K; Bostani, M; McNitt-Gray, M

    2015-06-15

    Purpose: Most patient models used in Monte Carlo-based estimates of CT dose, including computational phantoms, do not have tube current modulation (TCM) data associated with them. While not a problem for fixed tube current simulations, this is a limitation when modeling the effects of TCM. Therefore, the purpose of this work was to develop and validate methods to estimate TCM schemes for any voxelized patient model. Methods: For 10 patients who received clinically-indicated chest (n=5) and abdomen/pelvis (n=5) scans on a Siemens CT scanner, both CT localizer radiograph (“topogram”) and image data were collected. Methods were devised to estimate themore » complete x-y-z TCM scheme using patient attenuation data: (a) available in the Siemens CT localizer radiograph/topogram itself (“actual-topo”) and (b) from a simulated topogram (“sim-topo”) derived from a projection of the image data. For comparison, the actual TCM scheme was extracted from the projection data of each patient. For validation, Monte Carlo simulations were performed using each TCM scheme to estimate dose to the lungs (chest scans) and liver (abdomen/pelvis scans). Organ doses from simulations using the actual TCM were compared to those using each of the estimated TCM methods (“actual-topo” and “sim-topo”). Results: For chest scans, the average differences between doses estimated using actual TCM schemes and estimated TCM schemes (“actual-topo” and “sim-topo”) were 3.70% and 4.98%, respectively. For abdomen/pelvis scans, the average differences were 5.55% and 6.97%, respectively. Conclusion: Strong agreement between doses estimated using actual and estimated TCM schemes validates the methods for simulating Siemens topograms and converting attenuation data into TCM schemes. This indicates that the methods developed in this work can be used to accurately estimate TCM schemes for any patient model or computational phantom, whether a CT localizer radiograph is available or

  15. An accurate model for predicting high frequency noise of nanoscale NMOS SOI transistors

    NASA Astrophysics Data System (ADS)

    Shen, Yanfei; Cui, Jie; Mohammadi, Saeed

    2017-05-01

    A nonlinear and scalable model suitable for predicting high frequency noise of N-type Metal Oxide Semiconductor (NMOS) transistors is presented. The model is developed for a commercial 45 nm CMOS SOI technology and its accuracy is validated through comparison with measured performance of a microwave low noise amplifier. The model employs the virtual source nonlinear core and adds parasitic elements to accurately simulate the RF behavior of multi-finger NMOS transistors up to 40 GHz. For the first time, the traditional long-channel thermal noise model is supplemented with an injection noise model to accurately represent the noise behavior of these short-channel transistors up to 26 GHz. The developed model is simple and easy to extract, yet very accurate.

  16. Electron-cloud updated simulation results for the PSR, and recent results for the SNS

    NASA Astrophysics Data System (ADS)

    Pivi, M.; Furman, M. A.

    2002-05-01

    Recent simulation results for the main features of the electron cloud in the storage ring of the Spallation Neutron Source (SNS) at Oak Ridge, and updated results for the Proton Storage Ring (PSR) at Los Alamos are presented in this paper. A refined model for the secondary emission process including the so called true secondary, rediffused and backscattered electrons has recently been included in the electron-cloud code.

  17. Multiscale optical simulation settings: challenging applications handled with an iterative ray-tracing FDTD interface method.

    PubMed

    Leiner, Claude; Nemitz, Wolfgang; Schweitzer, Susanne; Kuna, Ladislav; Wenzl, Franz P; Hartmann, Paul; Satzinger, Valentin; Sommer, Christian

    2016-03-20

    We show that with an appropriate combination of two optical simulation techniques-classical ray-tracing and the finite difference time domain method-an optical device containing multiple diffractive and refractive optical elements can be accurately simulated in an iterative simulation approach. We compare the simulation results with experimental measurements of the device to discuss the applicability and accuracy of our iterative simulation procedure.

  18. Measurements of spectral parameters of water-vapour transitions near 1388 and 1345 nm for accurate simulation of high-pressure absorption spectra

    NASA Astrophysics Data System (ADS)

    Liu, Xiang; Jeffries, Jay B.; Hanson, Ronald K.

    2007-05-01

    Quantitative near-infrared absorption spectroscopy of water-vapour overtone and combination bands at high pressures is complicated by pressure broadening and shifting of individual lines and the blending of neighbouring transitions. An experimental and computational methodology is developed to determine accurate high-pressure absorption spectra. This case study investigates two water-vapour transitions, one near 1388 nm (7203.9 cm-1) and the other near 1345 nm (7435.6 cm-1), for potential two-line absorption measurements of temperature in the range of 400-1050 K with a pressure varying from 5-25 atm. The required quantitative spectroscopy data (line strength, collisional broadening, and pressure-induced frequency shift) of the target transitions and their neighbours (a total of four H2O vapour transitions near 1388 nm and six transitions near 1345 nm) are measured in neat H2O vapour, H2O-air and H2O-CO2 mixtures as a function of temperature (296-1000 K) at low pressures (<800 Torr). Precise values of the line strength S(T), pressure-broadening coefficients γair(T) and \\gamma _{CO_2 } (T), and pressure-shift coefficients δair(T) and \\delta _{CO_2 } (T) for the ten transitions were inferred from the measured spectra and compared with data from HITRAN 2004. A hybrid spectroscopic database was constructed by modifying HITRAN 2004 to incorporate these values for simulation of water-vapour-absorption spectra at high pressures. Simulations using this hybrid database are in good agreement with high pressure experiments and demonstrate that data collected at modest pressures can be used to simulate high-pressure absorption spectra.

  19. Particle kinetic simulation of high altitude hypervelocity flight

    NASA Technical Reports Server (NTRS)

    Boyd, Iain; Haas, Brian L.

    1994-01-01

    Rarefied flows about hypersonic vehicles entering the upper atmosphere or through nozzles expanding into a near vacuum may only be simulated accurately with a direct simulation Monte Carlo (DSMC) method. Under this grant, researchers enhanced the models employed in the DSMC method and performed simulations in support of existing NASA projects or missions. DSMC models were developed and validated for simulating rotational, vibrational, and chemical relaxation in high-temperature flows, including effects of quantized anharmonic oscillators and temperature-dependent relaxation rates. State-of-the-art advancements were made in simulating coupled vibration-dissociation recombination for post-shock flows. Models were also developed to compute vehicle surface temperatures directly in the code rather than requiring isothermal estimates. These codes were instrumental in simulating aerobraking of NASA's Magellan spacecraft during orbital maneuvers to assess heat transfer and aerodynamic properties of the delicate satellite. NASA also depended upon simulations of entry of the Galileo probe into the atmosphere of Jupiter to provide drag and flow field information essential for accurate interpretation of an onboard experiment. Finally, the codes have been used extensively to simulate expanding nozzle flows in low-power thrusters in support of propulsion activities at NASA-Lewis. Detailed comparisons between continuum calculations and DSMC results helped to quantify the limitations of continuum CFD codes in rarefied applications.

  20. Simulation Analysis of Helicopter Ground Resonance Nonlinear Dynamics

    NASA Astrophysics Data System (ADS)

    Zhu, Yan; Lu, Yu-hui; Ling, Ai-min

    2017-07-01

    In order to accurately predict the dynamic instability of helicopter ground resonance, a modeling and simulation method of helicopter ground resonance considering nonlinear dynamic characteristics of components (rotor lead-lag damper, landing gear wheel and absorber) is presented. The numerical integral method is used to calculate the transient responses of the body and rotor, simulating some disturbance. To obtain quantitative instabilities, Fast Fourier Transform (FFT) is conducted to estimate the modal frequencies, and the mobile rectangular window method is employed in the predictions of the modal damping in terms of the response time history. Simulation results show that ground resonance simulation test can exactly lead up the blade lead-lag regressing mode frequency, and the modal damping obtained according to attenuation curves are close to the test results. The simulation test results are in accordance with the actual accident situation, and prove the correctness of the simulation method. This analysis method used for ground resonance simulation test can give out the results according with real helicopter engineering tests.

  1. Extreme Environment Simulation - Current and New Capabilities to Simulate Venus and Other Planetary Bodies

    NASA Technical Reports Server (NTRS)

    Kremic, Tibor; Vento, Dan; Lalli, Nick; Palinski, Timothy

    2014-01-01

    Science, technology, and planetary mission communities have a growing interest in components and systems that are capable of working in extreme (high) temperature and pressure conditions. Terrestrial applications range from scientific research, aerospace, defense, automotive systems, energy storage and power distribution, deep mining and others. As the target environments get increasingly extreme, capabilities to develop and test the sensors and systems designed to operate in such environments will be required. An application of particular importance to the planetary science community is the ability for a robotic lander to survive on the Venus surface where pressures are nearly 100 times that of Earth and temperatures approach 500C. The scientific importance and relevance of Venus missions are stated in the current Planetary Decadal Survey. Further, several missions to Venus were proposed in the most recent Discovery call. Despite this interest, the ability to accurately simulate Venus conditions at a scale that can test and validate instruments and spacecraft systems and accurately simulate the Venus atmosphere has been lacking. This paper discusses and compares the capabilities that are known to exist within and outside the United States to simulate the extreme environmental conditions found in terrestrial or planetary surfaces including the Venus atmosphere and surface. The paper then focuses on discussing the recent additional capability found in the NASA Glenn Extreme Environment Rig (GEER). The GEER, located at the NASA Glenn Research Center in Cleveland, Ohio, is designed to simulate not only the temperature and pressure extremes described, but can also accurately reproduce the atmospheric compositions of bodies in the solar system including those with acidic and hazardous elements. GEER capabilities and characteristics are described along with operational considerations relevant to potential users. The paper presents initial operating results and concludes

  2. Determining accurate measurements of the growth rate from the galaxy correlation function in simulations

    NASA Astrophysics Data System (ADS)

    Contreras, Carlos; Blake, Chris; Poole, Gregory B.; Marin, Felipe

    2013-04-01

    We use high-resolution N-body simulations to develop a new, flexible empirical approach for measuring the growth rate from redshift-space distortions in the 2-point galaxy correlation function. We quantify the systematic error in measuring the growth rate in a 1 h-3 Gpc3 volume over a range of redshifts, from the dark matter particle distribution and a range of halo-mass catalogues with a number density comparable to the latest large-volume galaxy surveys such as the WiggleZ Dark Energy Survey and the Baryon Oscillation Spectroscopic Survey. Our simulations allow us to span halo masses with bias factors ranging from unity (probed by emission-line galaxies) to more massive haloes hosting luminous red galaxies. We show that the measured growth rate is sensitive to the model adopted for the small-scale real-space correlation function, and in particular that the `standard' assumption of a power-law correlation function can result in a significant systematic error in the growth-rate determination. We introduce a new, empirical fitting function that produces results with a lower (5-10 per cent) amplitude of systematic error. We also introduce a new technique which permits the galaxy pairwise velocity distribution, the quantity which drives the non-linear growth of structure, to be measured as a non-parametric stepwise function. Our (model-independent) results agree well with an exponential pairwise velocity distribution, expected from theoretical considerations, and are consistent with direct measurements of halo velocity differences from the parent catalogues. In a companion paper, we present the application of our new methodology to the WiggleZ Survey data set.

  3. Experimental and simulational result multipactors in 112 MHz QWR injector

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Xin, T.; Ben-Zvi, I.; Belomestnykh, S.

    2015-05-03

    The first RF commissioning of 112 MHz QWR superconducting electron gun was done in late 2014. The coaxial Fundamental Power Coupler (FPC) and Cathode Stalk (stalk) were installed and tested for the first time. During this experiment, we observed several multipacting barriers at different gun voltage levels. The simulation work was done within the same range. The comparison between the experimental observation and the simulation results are presented in this paper. The observations during the test are consisted with the simulation predictions. We were able to overcome most of the multipacting barriers and reach 1.8 MV gun voltage under pulsedmore » mode after several round of conditioning processes.« less

  4. Application of dynamic Monte Carlo technique in proton beam radiotherapy using Geant4 simulation toolkit

    NASA Astrophysics Data System (ADS)

    Guan, Fada

    Monte Carlo method has been successfully applied in simulating the particles transport problems. Most of the Monte Carlo simulation tools are static and they can only be used to perform the static simulations for the problems with fixed physics and geometry settings. Proton therapy is a dynamic treatment technique in the clinical application. In this research, we developed a method to perform the dynamic Monte Carlo simulation of proton therapy using Geant4 simulation toolkit. A passive-scattering treatment nozzle equipped with a rotating range modulation wheel was modeled in this research. One important application of the Monte Carlo simulation is to predict the spatial dose distribution in the target geometry. For simplification, a mathematical model of a human body is usually used as the target, but only the average dose over the whole organ or tissue can be obtained rather than the accurate spatial dose distribution. In this research, we developed a method using MATLAB to convert the medical images of a patient from CT scanning into the patient voxel geometry. Hence, if the patient voxel geometry is used as the target in the Monte Carlo simulation, the accurate spatial dose distribution in the target can be obtained. A data analysis tool---root was used to score the simulation results during a Geant4 simulation and to analyze the data and plot results after simulation. Finally, we successfully obtained the accurate spatial dose distribution in part of a human body after treating a patient with prostate cancer using proton therapy.

  5. Optimization of the GBMV2 implicit solvent force field for accurate simulation of protein conformational equilibria.

    PubMed

    Lee, Kuo Hao; Chen, Jianhan

    2017-06-15

    Accurate treatment of solvent environment is critical for reliable simulations of protein conformational equilibria. Implicit treatment of solvation, such as using the generalized Born (GB) class of models arguably provides an optimal balance between computational efficiency and physical accuracy. Yet, GB models are frequently plagued by a tendency to generate overly compact structures. The physical origins of this drawback are relatively well understood, and the key to a balanced implicit solvent protein force field is careful optimization of physical parameters to achieve a sufficient level of cancellation of errors. The latter has been hampered by the difficulty of generating converged conformational ensembles of non-trivial model proteins using the popular replica exchange sampling technique. Here, we leverage improved sampling efficiency of a newly developed multi-scale enhanced sampling technique to re-optimize the generalized-Born with molecular volume (GBMV2) implicit solvent model with the CHARMM36 protein force field. Recursive optimization of key GBMV2 parameters (such as input radii) and protein torsion profiles (via the CMAP torsion cross terms) has led to a more balanced GBMV2 protein force field that recapitulates the structures and stabilities of both helical and β-hairpin model peptides. Importantly, this force field appears to be free of the over-compaction bias, and can generate structural ensembles of several intrinsically disordered proteins of various lengths that seem highly consistent with available experimental data. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  6. Dynamic Biological Functioning Important for Simulating and Stabilizing Ocean Biogeochemistry

    NASA Astrophysics Data System (ADS)

    Buchanan, P. J.; Matear, R. J.; Chase, Z.; Phipps, S. J.; Bindoff, N. L.

    2018-04-01

    The biogeochemistry of the ocean exerts a strong influence on the climate by modulating atmospheric greenhouse gases. In turn, ocean biogeochemistry depends on numerous physical and biological processes that change over space and time. Accurately simulating these processes is fundamental for accurately simulating the ocean's role within the climate. However, our simulation of these processes is often simplistic, despite a growing understanding of underlying biological dynamics. Here we explore how new parameterizations of biological processes affect simulated biogeochemical properties in a global ocean model. We combine 6 different physical realizations with 6 different biogeochemical parameterizations (36 unique ocean states). The biogeochemical parameterizations, all previously published, aim to more accurately represent the response of ocean biology to changing physical conditions. We make three major findings. First, oxygen, carbon, alkalinity, and phosphate fields are more sensitive to changes in the ocean's physical state. Only nitrate is more sensitive to changes in biological processes, and we suggest that assessment protocols for ocean biogeochemical models formally include the marine nitrogen cycle to assess their performance. Second, we show that dynamic variations in the production, remineralization, and stoichiometry of organic matter in response to changing environmental conditions benefit the simulation of ocean biogeochemistry. Third, dynamic biological functioning reduces the sensitivity of biogeochemical properties to physical change. Carbon and nitrogen inventories were 50% and 20% less sensitive to physical changes, respectively, in simulations that incorporated dynamic biological functioning. These results highlight the importance of a dynamic biology for ocean properties and climate.

  7. CFD Simulation of Aerial Crop Spraying

    NASA Astrophysics Data System (ADS)

    Omar, Zamri; Qiang, Kua Yong; Mohd, Sofian; Rosly, Nurhayati

    2016-11-01

    Aerial crop spraying, also known as crop dusting, is made for aerial application of pesticides or fertilizer. An agricultural aircraft which is converted from an aircraft has been built to combine with the aerial crop spraying for the purpose. In recent years, many studies on the aerial crop spraying were conducted because aerial application is the most economical, large and rapid treatment for the crops. The main objective of this research is to study the airflow of aerial crop spraying system using Computational Fluid Dynamics. This paper is focus on the effect of aircraft speed and nozzle orientation on the distribution of spray droplet at a certain height. Successful and accurate of CFD simulation will improve the quality of spray during the real situation and reduce the spray drift. The spray characteristics and efficiency are determined from the calculated results of CFD. Turbulence Model (k-ɛ Model) is used for the airflow in the fluid domain to achieve a more accurate simulation. Furthermore, spray simulation is done by setting the Flat-fan Atomizer Model of Discrete Phase Model (DPM) at the nozzle exit. The interaction of spray from each flat-fan atomizer can also be observed from the simulation. The evaluation of this study is validation and grid dependency study using field data from industry.

  8. Time-accurate simulations of a shear layer forced at a single frequency

    NASA Technical Reports Server (NTRS)

    Claus, R. W.; Huang, P. G.; Macinnes, J. M.

    1988-01-01

    Calculations are presented for the forced shear layer studied experimentally by Oster and Wygnanski, and Weisbrot. Two different computational approaches are examined: Direct Numerical Simulation (DNS) and Large Eddy Simulation (LES). The DNS approach solves the full three dimensional Navier-Stokes equations for a temporally evolving mixing layer, while the LES approach solves the two dimensional Navier-Stokes equations with a subgrid scale turbulence model. While the comparison between these calculations and experimental data was hampered by a lack of information on the inflow boundary conditions, the calculations are shown to qualitatively agree with several aspects of the experiment. The sensitivity of these calculations to factors such as mesh refinement and Reynolds number is illustrated.

  9. Accomplishments and challenges of surgical simulation.

    PubMed

    Satava, R M

    2001-03-01

    For nearly a decade, advanced computer technologies have created extraordinary educational tools using three-dimensional (3D) visualization and virtual reality. Pioneering efforts in surgical simulation with these tools have resulted in a first generation of simulators for surgical technical skills. Accomplishments include simulations with 3D models of anatomy for practice of surgical tasks, initial assessment of student performance in technical skills, and awareness by professional societies of potential in surgical education and certification. However, enormous challenges remain, which include improvement of technical fidelity, standardization of accurate metrics for performance evaluation, integration of simulators into a robust educational curriculum, stringent evaluation of simulators for effectiveness and value added to surgical training, determination of simulation application to certification of surgical technical skills, and a business model to implement and disseminate simulation successfully throughout the medical education community. This review looks at the historical progress of surgical simulators, their accomplishments, and the challenges that remain.

  10. Accurate Simulation and Detection of Coevolution Signals in Multiple Sequence Alignments

    PubMed Central

    Ackerman, Sharon H.; Tillier, Elisabeth R.; Gatti, Domenico L.

    2012-01-01

    Background While the conserved positions of a multiple sequence alignment (MSA) are clearly of interest, non-conserved positions can also be important because, for example, destabilizing effects at one position can be compensated by stabilizing effects at another position. Different methods have been developed to recognize the evolutionary relationship between amino acid sites, and to disentangle functional/structural dependencies from historical/phylogenetic ones. Methodology/Principal Findings We have used two complementary approaches to test the efficacy of these methods. In the first approach, we have used a new program, MSAvolve, for the in silico evolution of MSAs, which records a detailed history of all covarying positions, and builds a global coevolution matrix as the accumulated sum of individual matrices for the positions forced to co-vary, the recombinant coevolution, and the stochastic coevolution. We have simulated over 1600 MSAs for 8 protein families, which reflect sequences of different sizes and proteins with widely different functions. The calculated coevolution matrices were compared with the coevolution matrices obtained for the same evolved MSAs with different coevolution detection methods. In a second approach we have evaluated the capacity of the different methods to predict close contacts in the representative X-ray structures of an additional 150 protein families using only experimental MSAs. Conclusions/Significance Methods based on the identification of global correlations between pairs were found to be generally superior to methods based only on local correlations in their capacity to identify coevolving residues using either simulated or experimental MSAs. However, the significant variability in the performance of different methods with different proteins suggests that the simulation of MSAs that replicate the statistical properties of the experimental MSA can be a valuable tool to identify the coevolution detection method that is most

  11. Simulation results of corkscrew motion in DARHT-II

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chan, K. D.; Ekdahl, C. A.; Chen, Y. J.

    2003-01-01

    DARHT-II, the second axis of the Dual-Axis Radiographic Hydrodynamics Test Facility, is being commissioned. DARHT-II is a linear induction accelerator producing 2-microsecond electron beam pulses at 20 MeV and 2 kA. These 2-microsecond pulses will be chopped into four short pulses to produce time resolved x-ray images. Radiographic application requires the DARHT-II beam to have excellent beam quality, and it is important to study various beam effects that may cause quality degradation of a DARHT-II beam. One of the beam dynamic effects under study is 'corkscrew' motion. For corkscrew motion, the beam centroid is deflected off axis due to misalignmentsmore » of the solenoid magnets. The deflection depends on the beam energy variation, which is expected to vary by {+-}0.5% during the 'flat-top' part of a beam pulse. Such chromatic aberration will result in broadening of beam spot size. In this paper, we will report simulation results of our study of corkscrew motion in DARHT-II. Sensitivities of beam spot size to various accelerator parameters and the strategy for minimizing corkscrew motion will be described. Measured magnet misalignment is used in the simulation.« less

  12. Pairagon: a highly accurate, HMM-based cDNA-to-genome aligner.

    PubMed

    Lu, David V; Brown, Randall H; Arumugam, Manimozhiyan; Brent, Michael R

    2009-07-01

    The most accurate way to determine the intron-exon structures in a genome is to align spliced cDNA sequences to the genome. Thus, cDNA-to-genome alignment programs are a key component of most annotation pipelines. The scoring system used to choose the best alignment is a primary determinant of alignment accuracy, while heuristics that prevent consideration of certain alignments are a primary determinant of runtime and memory usage. Both accuracy and speed are important considerations in choosing an alignment algorithm, but scoring systems have received much less attention than heuristics. We present Pairagon, a pair hidden Markov model based cDNA-to-genome alignment program, as the most accurate aligner for sequences with high- and low-identity levels. We conducted a series of experiments testing alignment accuracy with varying sequence identity. We first created 'perfect' simulated cDNA sequences by splicing the sequences of exons in the reference genome sequences of fly and human. The complete reference genome sequences were then mutated to various degrees using a realistic mutation simulator and the perfect cDNAs were aligned to them using Pairagon and 12 other aligners. To validate these results with natural sequences, we performed cross-species alignment using orthologous transcripts from human, mouse and rat. We found that aligner accuracy is heavily dependent on sequence identity. For sequences with 100% identity, Pairagon achieved accuracy levels of >99.6%, with one quarter of the errors of any other aligner. Furthermore, for human/mouse alignments, which are only 85% identical, Pairagon achieved 87% accuracy, higher than any other aligner. Pairagon source and executables are freely available at http://mblab.wustl.edu/software/pairagon/

  13. Three-Dimensional Imaging in Rhinoplasty: A Comparison of the Simulated versus Actual Result.

    PubMed

    Persing, Sarah; Timberlake, Andrew; Madari, Sarika; Steinbacher, Derek

    2018-05-22

    Computer imaging has become increasingly popular for rhinoplasty. Three-dimensional (3D) analysis permits a more comprehensive view from multiple vantage points. However, the predictability and concordance between the simulated and actual result have not been morphometrically studied. The purpose of this study was to aesthetically and quantitatively compare the simulated to actual rhinoplasty result. A retrospective review of 3D images (VECTRA, Canfield) for rhinoplasty patients was performed. Images (preop, simulated, and actual) were randomized. A blinded panel of physicians rated the images (1 = poor, 5 = excellent). The image series considered "best" was also recorded. A quantitative assessment of nasolabial angle and tip projection was compared. Paired and two-sample t tests were performed for statistical analysis (P < 0.05 as significant). Forty patients were included. 67.5% of preoperative images were rated as poor (mean = 1.7). The simulation received a mean score of 2.9 (good in 60% of cases). 82.5% of actual cases were rated good to excellent (mean 3.4) (P < 0.001). Overall, the panel significantly preferred the actual postoperative result in 77.5% of cases compared to the simulation in 22.5% of cases (P < 0.001). The actual nasal tip was more projected compared to the simulations for both males and females. There was no significant difference in nasal tip rotation between simulated and postoperative groups. 3D simulation is a powerful communication and planning tool in rhinoplasty. In this study, the actual result was deemed more aesthetic than the simulated image. Surgeon experience is important to translate the plan and achieve favorable postoperative results. This journal requires that authors assign a level of evidence to each article. For a full description of these Evidence-Based Medicine ratings, please refer to the Table of Contents or the online Instructions to Authors www.springer.com/00266 .

  14. Interactive visualization of numerical simulation results: A tool for mission planning and data analysis

    NASA Technical Reports Server (NTRS)

    Berchem, J.; Raeder, J.; Walker, R. J.; Ashour-Abdalla, M.

    1995-01-01

    We report on the development of an interactive system for visualizing and analyzing numerical simulation results. This system is based on visualization modules which use the Application Visualization System (AVS) and the NCAR graphics packages. Examples from recent simulations are presented to illustrate how these modules can be used for displaying and manipulating simulation results to facilitate their comparison with phenomenological model results and observations.

  15. Hybrid Reynolds-Averaged/Large Eddy Simulation of a Cavity Flameholder; Assessment of Modeling Sensitivities

    NASA Technical Reports Server (NTRS)

    Baurle, R. A.

    2015-01-01

    Steady-state and scale-resolving simulations have been performed for flow in and around a model scramjet combustor flameholder. The cases simulated corresponded to those used to examine this flowfield experimentally using particle image velocimetry. A variety of turbulence models were used for the steady-state Reynolds-averaged simulations which included both linear and non-linear eddy viscosity models. The scale-resolving simulations used a hybrid Reynolds-averaged / large eddy simulation strategy that is designed to be a large eddy simulation everywhere except in the inner portion (log layer and below) of the boundary layer. Hence, this formulation can be regarded as a wall-modeled large eddy simulation. This effort was undertaken to formally assess the performance of the hybrid Reynolds-averaged / large eddy simulation modeling approach in a flowfield of interest to the scramjet research community. The numerical errors were quantified for both the steady-state and scale-resolving simulations prior to making any claims of predictive accuracy relative to the measurements. The steady-state Reynolds-averaged results showed a high degree of variability when comparing the predictions obtained from each turbulence model, with the non-linear eddy viscosity model (an explicit algebraic stress model) providing the most accurate prediction of the measured values. The hybrid Reynolds-averaged/large eddy simulation results were carefully scrutinized to ensure that even the coarsest grid had an acceptable level of resolution for large eddy simulation, and that the time-averaged statistics were acceptably accurate. The autocorrelation and its Fourier transform were the primary tools used for this assessment. The statistics extracted from the hybrid simulation strategy proved to be more accurate than the Reynolds-averaged results obtained using the linear eddy viscosity models. However, there was no predictive improvement noted over the results obtained from the explicit

  16. GATE Monte Carlo simulation of dose distribution using MapReduce in a cloud computing environment.

    PubMed

    Liu, Yangchuan; Tang, Yuguo; Gao, Xin

    2017-12-01

    The GATE Monte Carlo simulation platform has good application prospects of treatment planning and quality assurance. However, accurate dose calculation using GATE is time consuming. The purpose of this study is to implement a novel cloud computing method for accurate GATE Monte Carlo simulation of dose distribution using MapReduce. An Amazon Machine Image installed with Hadoop and GATE is created to set up Hadoop clusters on Amazon Elastic Compute Cloud (EC2). Macros, the input files for GATE, are split into a number of self-contained sub-macros. Through Hadoop Streaming, the sub-macros are executed by GATE in Map tasks and the sub-results are aggregated into final outputs in Reduce tasks. As an evaluation, GATE simulations were performed in a cubical water phantom for X-ray photons of 6 and 18 MeV. The parallel simulation on the cloud computing platform is as accurate as the single-threaded simulation on a local server and the simulation correctness is not affected by the failure of some worker nodes. The cloud-based simulation time is approximately inversely proportional to the number of worker nodes. For the simulation of 10 million photons on a cluster with 64 worker nodes, time decreases of 41× and 32× were achieved compared to the single worker node case and the single-threaded case, respectively. The test of Hadoop's fault tolerance showed that the simulation correctness was not affected by the failure of some worker nodes. The results verify that the proposed method provides a feasible cloud computing solution for GATE.

  17. A more accurate method using MOVES (Motor Vehicle Emission Simulator) to estimate emission burden for regional-level analysis.

    PubMed

    Liu, Xiaobo

    2015-07-01

    The U.S. Environmental Protection Agency's (EPA) Motor Vehicle Emission Simulator (MOVES) is required by the EPA to replace Mobile 6 as an official on-road emission model. Incorporated with annual vehicle mile traveled (VMT) by Highways Performance Monitoring System (HPMS) vehicle class, MOVES allocates VMT from HPMS to MOVES source (vehicle) types and calculates emission burden by MOVES source type. However, the calculated running emission burden by MOVES source type may be deviated from the actual emission burden because of MOVES source population, specifically the population fraction by MOVES source type in HPMS vehicle class. The deviation is also the result of the use of the universal set of parameters, i.e., relative mileage accumulation rate (relativeMAR), packaged in MOVES default database. This paper presents a novel approach by adjusting the relativeMAR to eliminate the impact of MOVES source population on running exhaust emission and to keep start and evaporative emissions unchanged for both MOVES2010b and MOVES2014. Results from MOVES runs using this approach indicated significant improvements on VMT distribution and emission burden estimation for each MOVES source type. The deviation of VMT by MOVES source type is minimized by using this approach from 12% to less than 0.05% for MOVES2010b and from 50% to less than 0.2% for MOVES2014 except for MOVES source type 53. Source type 53 still remains about 30% variation. The improvement of VMT distribution results in the elimination of emission burden deviation for each MOVES source type. For MOVES2010b, the deviation of emission burdens decreases from -12% for particulate matter less than 2.5 μm (PM2.5) and -9% for carbon monoxide (CO) to less than 0.002%. For MOVES2014, it drops from 80% for CO and 97% for PM2.5 to 0.006%. This approach is developed to more accurately estimate the total emission burdens using EPA's MOVES, both MOVES2010b and MOVES2014, by redistributing vehicle mile traveled (VMT) by

  18. Accurate schemes for calculation of thermodynamic properties of liquid mixtures from molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Caro, Miguel A.; Laurila, Tomi; Lopez-Acevedo, Olga

    2016-12-01

    We explore different schemes for improved accuracy of entropy calculations in aqueous liquid mixtures from molecular dynamics (MD) simulations. We build upon the two-phase thermodynamic (2PT) model of Lin et al. [J. Chem. Phys. 119, 11792 (2003)] and explore new ways to obtain the partition between the gas-like and solid-like parts of the density of states, as well as the effect of the chosen ideal "combinatorial" entropy of mixing, both of which have a large impact on the results. We also propose a first-order correction to the issue of kinetic energy transfer between degrees of freedom (DoF). This problem arises when the effective temperatures of translational, rotational, and vibrational DoF are not equal, either due to poor equilibration or reduced system size/time sampling, which are typical problems for ab initio MD. The new scheme enables improved convergence of the results with respect to configurational sampling, by up to one order of magnitude, for short MD runs. To ensure a meaningful assessment, we perform MD simulations of liquid mixtures of water with several other molecules of varying sizes: methanol, acetonitrile, N, N-dimethylformamide, and n-butanol. Our analysis shows that results in excellent agreement with experiment can be obtained with little computational effort for some systems. However, the ability of the 2PT method to succeed in these calculations is strongly influenced by the choice of force field, the fluidicity (hard-sphere) formalism employed to obtain the solid/gas partition, and the assumed combinatorial entropy of mixing. We tested two popular force fields, GAFF and OPLS with SPC/E water. For the mixtures studied, the GAFF force field seems to perform as a slightly better "all-around" force field when compared to OPLS+SPC/E.

  19. Robust state preparation in quantum simulations of Dirac dynamics

    NASA Astrophysics Data System (ADS)

    Song, Xue-Ke; Deng, Fu-Guo; Lamata, Lucas; Muga, J. G.

    2017-02-01

    A nonrelativistic system such as an ultracold trapped ion may perform a quantum simulation of a Dirac equation dynamics under specific conditions. The resulting Hamiltonian and dynamics are highly controllable, but the coupling between momentum and internal levels poses some difficulties to manipulate the internal states accurately in wave packets. We use invariants of motion to inverse engineer robust population inversion processes with a homogeneous, time-dependent simulated electric field. This exemplifies the usefulness of inverse-engineering techniques to improve the performance of quantum simulation protocols.

  20. Accurate Treatment of Collisions and Water-Delivery in Models of Terrestrial Planet Formation

    NASA Astrophysics Data System (ADS)

    Haghighipour, Nader; Maindl, Thomas; Schaefer, Christoph

    2017-10-01

    It is widely accepted that collisions among solid bodies, ignited by their interactions with planetary embryos is the key process in the formation of terrestrial planets and transport of volatiles and chemical compounds to their accretion zones. Unfortunately, due to computational complexities, these collisions are often treated in a rudimentary way. Impacts are considered to be perfectly inelastic and volatiles are considered to be fully transferred from one object to the other. This perfect-merging assumption has profound effects on the mass and composition of final planetary bodies as it grossly overestimates the masses of these objects and the amounts of volatiles and chemical elements transferred to them. It also entirely neglects collisional-loss of volatiles (e.g., water) and draws an unrealistic connection between these properties and the chemical structure of the protoplanetary disk (i.e., the location of their original carriers). We have developed a new and comprehensive methodology to simulate growth of embryos to planetary bodies where we use a combination of SPH and N-body codes to accurately model collisions as well as the transport/transfer of chemical compounds. Our methodology accounts for the loss of volatiles (e.g., ice sublimation) during the orbital evolution of their careers and accurately tracks their transfer from one body to another. Results of our simulations show that traditional N-body modeling of terrestrial planet formation overestimates the amount of the mass and water contents of the final planets by over 60% implying that not only the amount of water they suggest is far from being realistic, small planets such as Mars can also form in these simulations when collisions are treated properly. We will present details of our methodology and discuss its implications for terrestrial planet formation and water delivery to Earth.

  1. Numerical simulation of the rapid intensification of Hurricane Katrina (2005): Sensitivity to boundary layer parameterization schemes

    NASA Astrophysics Data System (ADS)

    Liu, Jianjun; Zhang, Feimin; Pu, Zhaoxia

    2017-04-01

    Accurate forecasting of the intensity changes of hurricanes is an important yet challenging problem in numerical weather prediction. The rapid intensification of Hurricane Katrina (2005) before its landfall in the southern US is studied with the Advanced Research version of the WRF (Weather Research and Forecasting) model. The sensitivity of numerical simulations to two popular planetary boundary layer (PBL) schemes, the Mellor-Yamada-Janjic (MYJ) and the Yonsei University (YSU) schemes, is investigated. It is found that, compared with the YSU simulation, the simulation with the MYJ scheme produces better track and intensity evolution, better vortex structure, and more accurate landfall time and location. Large discrepancies (e.g., over 10 hPa in simulated minimum sea level pressure) are found between the two simulations during the rapid intensification period. Further diagnosis indicates that stronger surface fluxes and vertical mixing in the PBL from the simulation with the MYJ scheme lead to enhanced air-sea interaction, which helps generate more realistic simulations of the rapid intensification process. Overall, the results from this study suggest that improved representation of surface fluxes and vertical mixing in the PBL is essential for accurate prediction of hurricane intensity changes.

  2. Individuals achieve more accurate results with meters that are codeless and employ dynamic electrochemistry.

    PubMed

    Rao, Anoop; Wiley, Meg; Iyengar, Sridhar; Nadeau, Dan; Carnevale, Julie

    2010-01-01

    Studies have shown that controlling blood glucose can reduce the onset and progression of the long-term microvascular and neuropathic complications associated with the chronic course of diabetes mellitus. Improved glycemic control can be achieved by frequent testing combined with changes in medication, exercise, and diet. Technological advancements have enabled improvements in analytical accuracy of meters, and this paper explores two such parameters to which that accuracy can be attributed. Four blood glucose monitoring systems (with or without dynamic electrochemistry algorithms, codeless or requiring coding prior to testing) were evaluated and compared with respect to their accuracy. Altogether, 108 blood glucose values were obtained for each system from 54 study participants and compared with the reference values. The analysis depicted in the International Organization for Standardization table format indicates that the devices with dynamic electrochemistry and the codeless feature had the highest proportion of acceptable results overall (System A, 101/103). Results were significant when compared at the 10% bias level with meters that were codeless and utilized static electrochemistry (p = .017) or systems that had static electrochemistry but needed coding (p = .008). Analytical performance of these blood glucose meters differed significantly depending on their technologic features. Meters that utilized dynamic electrochemistry and did not require coding were more accurate than meters that used static electrochemistry or required coding. 2010 Diabetes Technology Society.

  3. TRIM—3D: a three-dimensional model for accurate simulation of shallow water flow

    USGS Publications Warehouse

    Casulli, Vincenzo; Bertolazzi, Enrico; Cheng, Ralph T.

    1993-01-01

    A semi-implicit finite difference formulation for the numerical solution of three-dimensional tidal circulation is discussed. The governing equations are the three-dimensional Reynolds equations in which the pressure is assumed to be hydrostatic. A minimal degree of implicitness has been introduced in the finite difference formula so that the resulting algorithm permits the use of large time steps at a minimal computational cost. This formulation includes the simulation of flooding and drying of tidal flats, and is fully vectorizable for an efficient implementation on modern vector computers. The high computational efficiency of this method has made it possible to provide the fine details of circulation structure in complex regions that previous studies were unable to obtain. For proper interpretation of the model results suitable interactive graphics is also an essential tool.

  4. The AAO fiber instrument data simulator

    NASA Astrophysics Data System (ADS)

    Goodwin, Michael; Farrell, Tony; Smedley, Scott; Heald, Ron; Heijmans, Jeroen; De Silva, Gayandhi; Carollo, Daniela

    2012-09-01

    The fiber instrument data simulator is an in-house software tool that simulates detector images of fiber-fed spectrographs developed by the Australian Astronomical Observatory (AAO). In addition to helping validate the instrument designs, the resulting simulated images are used to develop the required data reduction software. Example applications that have benefited from the tool usage are the HERMES and SAMI instrumental projects for the Anglo-Australian Telescope (AAT). Given the sophistication of these projects an end-to-end data simulator that accurately models the predicted detector images is required. The data simulator encompasses all aspects of the transmission and optical aberrations of the light path: from the science object, through the atmosphere, telescope, fibers, spectrograph and finally the camera detectors. The simulator runs under a Linux environment that uses pre-calculated information derived from ZEMAX models and processed data from MATLAB. In this paper, we discuss the aspects of the model, software, example simulations and verification.

  5. Initial Data Analysis Results for ATD-2 ISAS HITL Simulation

    NASA Technical Reports Server (NTRS)

    Lee, Hanbong

    2017-01-01

    To evaluate the operational procedures and information requirements for the core functional capabilities of the ATD-2 project, such as tactical surface metering tool, APREQ-CFR procedure, and data element exchanges between ramp and tower, human-in-the-loop (HITL) simulations were performed in March, 2017. This presentation shows the initial data analysis results from the HITL simulations. With respect to the different runway configurations and metering values in tactical surface scheduler, various airport performance metrics were analyzed and compared. These metrics include gate holding time, taxi-out in time, runway throughput, queue size and wait time in queue, and TMI flight compliance. In addition to the metering value, other factors affecting the airport performance in the HITL simulation, including run duration, runway changes, and TMI constraints, are also discussed.

  6. Novel high-fidelity realistic explosion damage simulation for urban environments

    NASA Astrophysics Data System (ADS)

    Liu, Xiaoqing; Yadegar, Jacob; Zhu, Youding; Raju, Chaitanya; Bhagavathula, Jaya

    2010-04-01

    Realistic building damage simulation has a significant impact in modern modeling and simulation systems especially in diverse panoply of military and civil applications where these simulation systems are widely used for personnel training, critical mission planning, disaster management, etc. Realistic building damage simulation should incorporate accurate physics-based explosion models, rubble generation, rubble flyout, and interactions between flying rubble and their surrounding entities. However, none of the existing building damage simulation systems sufficiently faithfully realize the criteria of realism required for effective military applications. In this paper, we present a novel physics-based high-fidelity and runtime efficient explosion simulation system to realistically simulate destruction to buildings. In the proposed system, a family of novel blast models is applied to accurately and realistically simulate explosions based on static and/or dynamic detonation conditions. The system also takes account of rubble pile formation and applies a generic and scalable multi-component based object representation to describe scene entities and highly scalable agent-subsumption architecture and scheduler to schedule clusters of sequential and parallel events. The proposed system utilizes a highly efficient and scalable tetrahedral decomposition approach to realistically simulate rubble formation. Experimental results demonstrate that the proposed system has the capability to realistically simulate rubble generation, rubble flyout and their primary and secondary impacts on surrounding objects including buildings, constructions, vehicles and pedestrians in clusters of sequential and parallel damage events.

  7. Robust and accurate decoding of motoneuron behavior and prediction of the resulting force output.

    PubMed

    Thompson, Christopher K; Negro, Francesco; Johnson, Michael D; Holmes, Matthew R; McPherson, Laura Miller; Powers, Randall K; Farina, Dario; Heckman, Charles J

    2018-05-03

    The spinal alpha motoneuron is the only cell in the human CNS whose discharge can be routinely recorded in humans. We have reengineered motor unit collection and decomposition approaches, originally developed in humans, to measure the neural drive to muscle and estimate muscle force generation in the decerebrate cat model. Experimental, computational, and predictive approaches are used to demonstrate the validity of this approach across a wide range of modes to activate the motor pool. The utility of this approach is shown through the ability to track individual motor units across trials, allowing for better predictions of muscle force than the electromyography signal, and providing insights in to the stereotypical discharge characteristics in response to synaptic activation of the motor pool. This approach now allows for a direct link between the intracellular data of single motoneurons, the discharge properties of motoneuron populations, and muscle force generation in the same preparation. The discharge of a spinal alpha motoneuron and the resulting contraction of its muscle fibers represents the functional quantum of the motor system. Recent advances in the recording and decomposition of the electromyographic signal allows for the identification of several tens of concurrently active motor units. These detailed population data provide the potential to achieve deep insights into the synaptic organization of motor commands. Yet most of our understanding of the synaptic input to motoneurons is derived from intracellular recordings in animal preparations. Thus, it is necessary to extend the new electrode and decomposition methods to recording of motor unit populations in these same preparations. To achieve this goal, we use high-density electrode arrays and decomposition techniques, analogous to those developed for humans, to record and decompose the activity of tens of concurrently active motor units in a hindlimb muscle in the decerebrate cat. Our results showed

  8. The Validity of Quasi-Steady-State Approximations in Discrete Stochastic Simulations

    PubMed Central

    Kim, Jae Kyoung; Josić, Krešimir; Bennett, Matthew R.

    2014-01-01

    In biochemical networks, reactions often occur on disparate timescales and can be characterized as either fast or slow. The quasi-steady-state approximation (QSSA) utilizes timescale separation to project models of biochemical networks onto lower-dimensional slow manifolds. As a result, fast elementary reactions are not modeled explicitly, and their effect is captured by nonelementary reaction-rate functions (e.g., Hill functions). The accuracy of the QSSA applied to deterministic systems depends on how well timescales are separated. Recently, it has been proposed to use the nonelementary rate functions obtained via the deterministic QSSA to define propensity functions in stochastic simulations of biochemical networks. In this approach, termed the stochastic QSSA, fast reactions that are part of nonelementary reactions are not simulated, greatly reducing computation time. However, it is unclear when the stochastic QSSA provides an accurate approximation of the original stochastic simulation. We show that, unlike the deterministic QSSA, the validity of the stochastic QSSA does not follow from timescale separation alone, but also depends on the sensitivity of the nonelementary reaction rate functions to changes in the slow species. The stochastic QSSA becomes more accurate when this sensitivity is small. Different types of QSSAs result in nonelementary functions with different sensitivities, and the total QSSA results in less sensitive functions than the standard or the prefactor QSSA. We prove that, as a result, the stochastic QSSA becomes more accurate when nonelementary reaction functions are obtained using the total QSSA. Our work provides an apparently novel condition for the validity of the QSSA in stochastic simulations of biochemical reaction networks with disparate timescales. PMID:25099817

  9. NPE 2010 results - Independent performance assessment by simulated CTBT violation scenarios

    NASA Astrophysics Data System (ADS)

    Ross, O.; Bönnemann, C.; Ceranna, L.; Gestermann, N.; Hartmann, G.; Plenefisch, T.

    2012-04-01

    earthquakes by seismological analysis. The remaining event at Black Thunder Mine, Wyoming, on 23 Oct at 21:15 UTC showed clear explosion characteristics. It caused also Infrasound detections at one station in Canada. An infrasonic one station localization algorithm led to event localization results comparable in precision to the teleseismic localization. However, the analysis of regional seismological stations gave the most accurate result giving an error ellipse of about 60 square kilometer. Finally a forward ATM simulation was performed with the candidate event as source in order to reproduce the original detection scenario. The ATM results showed a simulated station fingerprint in the IMS very similar to the fictitious detections given in the NPE 2010 scenario which is an additional confirmation that the event was correctly identified. The shown event analysis of the NPE 2010 serves as successful example for Data Fusion between the technology of radionuclide detection supported by ATM and seismological methodology as well as infrasound signal processing.

  10. Accurate van der Waals coefficients from density functional theory

    PubMed Central

    Tao, Jianmin; Perdew, John P.; Ruzsinszky, Adrienn

    2012-01-01

    The van der Waals interaction is a weak, long-range correlation, arising from quantum electronic charge fluctuations. This interaction affects many properties of materials. A simple and yet accurate estimate of this effect will facilitate computer simulation of complex molecular materials and drug design. Here we develop a fast approach for accurate evaluation of dynamic multipole polarizabilities and van der Waals (vdW) coefficients of all orders from the electron density and static multipole polarizabilities of each atom or other spherical object, without empirical fitting. Our dynamic polarizabilities (dipole, quadrupole, octupole, etc.) are exact in the zero- and high-frequency limits, and exact at all frequencies for a metallic sphere of uniform density. Our theory predicts dynamic multipole polarizabilities in excellent agreement with more expensive many-body methods, and yields therefrom vdW coefficients C6, C8, C10 for atom pairs with a mean absolute relative error of only 3%. PMID:22205765

  11. Numerical simulation of granular flows : comparison with experimental results

    NASA Astrophysics Data System (ADS)

    Pirulli, M.; Mangeney-Castelnau, A.; Lajeunesse, E.; Vilotte, J.-P.; Bouchut, F.; Bristeau, M. O.; Perthame, B.

    2003-04-01

    Granular avalanches such as rock or debris flows regularly cause large amounts of human and material damages. Numerical simulation of granular avalanches should provide a useful tool for investigating, within realistic geological contexts, the dynamics of these flows and of their arrest phase and for improving the risk assessment of such natural hazards. Validation of debris avalanche numerical model on granular experiments over inclined plane is performed here. The comparison is performed by simulating granular flow of glass beads from a reservoir through a gate down an inclined plane. This unsteady situation evolves toward the steady state observed in the laboratory. Furthermore simulation exactly reproduces the arrest phase obtained by suddenly closing the gate of the reservoir once a thick flow has developped. The spreading of a granular mass released from rest at the top of a rough inclined plane is also investigated. The evolution of the avalanche shape, the velocity and the characteristics of the arrest phase are compared with experimental results and analysis of the involved forces are studied for various flow laws.

  12. Physically Based Modeling and Simulation with Dynamic Spherical Volumetric Simplex Splines

    PubMed Central

    Tan, Yunhao; Hua, Jing; Qin, Hong

    2009-01-01

    In this paper, we present a novel computational modeling and simulation framework based on dynamic spherical volumetric simplex splines. The framework can handle the modeling and simulation of genus-zero objects with real physical properties. In this framework, we first develop an accurate and efficient algorithm to reconstruct the high-fidelity digital model of a real-world object with spherical volumetric simplex splines which can represent with accuracy geometric, material, and other properties of the object simultaneously. With the tight coupling of Lagrangian mechanics, the dynamic volumetric simplex splines representing the object can accurately simulate its physical behavior because it can unify the geometric and material properties in the simulation. The visualization can be directly computed from the object’s geometric or physical representation based on the dynamic spherical volumetric simplex splines during simulation without interpolation or resampling. We have applied the framework for biomechanic simulation of brain deformations, such as brain shifting during the surgery and brain injury under blunt impact. We have compared our simulation results with the ground truth obtained through intra-operative magnetic resonance imaging and the real biomechanic experiments. The evaluations demonstrate the excellent performance of our new technique. PMID:20161636

  13. An Accurate Centroiding Algorithm for PSF Reconstruction

    NASA Astrophysics Data System (ADS)

    Lu, Tianhuan; Luo, Wentao; Zhang, Jun; Zhang, Jiajun; Li, Hekun; Dong, Fuyu; Li, Yingke; Liu, Dezi; Fu, Liping; Li, Guoliang; Fan, Zuhui

    2018-07-01

    In this work, we present a novel centroiding method based on Fourier space Phase Fitting (FPF) for Point Spread Function (PSF) reconstruction. We generate two sets of simulations to test our method. The first set is generated by GalSim with an elliptical Moffat profile and strong anisotropy that shifts the center of the PSF. The second set of simulations is drawn from CFHT i band stellar imaging data. We find non-negligible anisotropy from CFHT stellar images, which leads to ∼0.08 scatter in units of pixels using a polynomial fitting method (Vakili & Hogg). When we apply the FPF method to estimate the centroid in real space, the scatter reduces to ∼0.04 in S/N = 200 CFHT-like sample. In low signal-to-noise ratio (S/N; 50 and 100) CFHT-like samples, the background noise dominates the shifting of the centroid; therefore, the scatter estimated from different methods is similar. We compare polynomial fitting and FPF using GalSim simulation with optical anisotropy. We find that in all S/N (50, 100, and 200) samples, FPF performs better than polynomial fitting by a factor of ∼3. In general, we suggest that in real observations there exists anisotropy that shifts the centroid, and thus, the FPF method provides a better way to accurately locate it.

  14. Communication: Adaptive boundaries in multiscale simulations

    NASA Astrophysics Data System (ADS)

    Wagoner, Jason A.; Pande, Vijay S.

    2018-04-01

    Combined-resolution simulations are an effective way to study molecular properties across a range of length and time scales. These simulations can benefit from adaptive boundaries that allow the high-resolution region to adapt (change size and/or shape) as the simulation progresses. The number of degrees of freedom required to accurately represent even a simple molecular process can vary by several orders of magnitude throughout the course of a simulation, and adaptive boundaries react to these changes to include an appropriate but not excessive amount of detail. Here, we derive the Hamiltonian and distribution function for such a molecular simulation. We also design an algorithm that can efficiently sample the boundary as a new coordinate of the system. We apply this framework to a mixed explicit/continuum simulation of a peptide in solvent. We use this example to discuss the conditions necessary for a successful implementation of adaptive boundaries that is both efficient and accurate in reproducing molecular properties.

  15. Melt-rock reaction in the asthenospheric mantle: Perspectives from high-order accurate numerical simulations in 2D and 3D

    NASA Astrophysics Data System (ADS)

    Tirupathi, S.; Schiemenz, A. R.; Liang, Y.; Parmentier, E.; Hesthaven, J.

    2013-12-01

    The style and mode of melt migration in the mantle are important to the interpretation of basalts erupted on the surface. Both grain-scale diffuse porous flow and channelized melt migration have been proposed. To better understand the mechanisms and consequences of melt migration in a heterogeneous mantle, we have undertaken a numerical study of reactive dissolution in an upwelling and viscously deformable mantle where solubility of pyroxene increases upwards. Our setup is similar to that described in [1], except we use a larger domain size in 2D and 3D and a new numerical method. To enable efficient simulations in 3D through parallel computing, we developed a high-order accurate numerical method for the magma dynamics problem using discontinuous Galerkin methods and constructed the problem using the numerical library deal.II [2]. Linear stability analyses of the reactive dissolution problem reveal three dynamically distinct regimes [3] and the simulations reported in this study were run in the stable regime and the unstable wave regime where small perturbations in porosity grows periodically. The wave regime is more relevant to melt migration beneath the mid-ocean ridges but computationally more challenging. Extending the 2D simulations in the stable regime in [1] to 3D using various combinations of sustained perturbations in porosity at the base of the upwelling column (which may result from a viened mantle), we show the geometry and distribution of dunite channel and high-porosity melt channels are highly correlated with inflow perturbation through superposition. Strong nonlinear interactions among compaction, dissolution, and upwelling give rise to porosity waves and high-porosity melt channels in the wave regime. These compaction-dissolution waves have well organized but time-dependent structures in the lower part of the simulation domain. High-porosity melt channels nucleate along nodal lines of the porosity waves, growing downwards. The wavelength scales

  16. Simulating immersed particle collisions: the Devil's in the details

    NASA Astrophysics Data System (ADS)

    Biegert, Edward; Vowinckel, Bernhard; Meiburg, Eckart

    2015-11-01

    Simulating densely-packed particle-laden flows with any degree of confidence requires accurate modeling of particle-particle collisions. To this end, we investigate a few collision models from the fluids and granular flow communities using sphere-wall collisions, which have been studied by a number of experimental groups. These collisions involve enough complexities--gravity, particle-wall lubrication forces, particle-wall contact stresses, particle-wake interactions--to challenge any collision model. Evaluating the successes and shortcomings of the collision models, we seek improvements in order to obtain more consistent results. We will highlight several implementation details that are crucial for obtaining accurate results.

  17. Results of intravehicular manned cargo-transfer studies in simulated weightlessness

    NASA Technical Reports Server (NTRS)

    Spady, A. A., Jr.; Beasley, G. P.; Yenni, K. R.; Eisele, D. F.

    1972-01-01

    A parametric investigation was conducted in a water immersion simulator to determine the effect of package mass, moment of inertia, and size on the ability of man to transfer cargo in simulated weightlessness. Results from this study indicate that packages with masses of at least 744 kg and moments of inertia of at least 386 kg-m2 can be manually handled and transferred satisfactorily under intravehicular conditions using either one- or two-rail motion aids. Data leading to the conclusions and discussions of test procedures and equipment are presented.

  18. Double Cluster Heads Model for Secure and Accurate Data Fusion in Wireless Sensor Networks

    PubMed Central

    Fu, Jun-Song; Liu, Yun

    2015-01-01

    Secure and accurate data fusion is an important issue in wireless sensor networks (WSNs) and has been extensively researched in the literature. In this paper, by combining clustering techniques, reputation and trust systems, and data fusion algorithms, we propose a novel cluster-based data fusion model called Double Cluster Heads Model (DCHM) for secure and accurate data fusion in WSNs. Different from traditional clustering models in WSNs, two cluster heads are selected after clustering for each cluster based on the reputation and trust system and they perform data fusion independently of each other. Then, the results are sent to the base station where the dissimilarity coefficient is computed. If the dissimilarity coefficient of the two data fusion results exceeds the threshold preset by the users, the cluster heads will be added to blacklist, and the cluster heads must be reelected by the sensor nodes in a cluster. Meanwhile, feedback is sent from the base station to the reputation and trust system, which can help us to identify and delete the compromised sensor nodes in time. Through a series of extensive simulations, we found that the DCHM performed very well in data fusion security and accuracy. PMID:25608211

  19. Fast and accurate calculation of dilute quantum gas using Uehling–Uhlenbeck model equation

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yano, Ryosuke, E-mail: ryosuke.yano@tokiorisk.co.jp

    The Uehling–Uhlenbeck (U–U) model equation is studied for the fast and accurate calculation of a dilute quantum gas. In particular, the direct simulation Monte Carlo (DSMC) method is used to solve the U–U model equation. DSMC analysis based on the U–U model equation is expected to enable the thermalization to be accurately obtained using a small number of sample particles and the dilute quantum gas dynamics to be calculated in a practical time. Finally, the applicability of DSMC analysis based on the U–U model equation to the fast and accurate calculation of a dilute quantum gas is confirmed by calculatingmore » the viscosity coefficient of a Bose gas on the basis of the Green–Kubo expression and the shock layer of a dilute Bose gas around a cylinder.« less

  20. Time-accurate unsteady flow simulations supporting the SRM T+68-second pressure spike anomaly investigation (STS-54B)

    NASA Astrophysics Data System (ADS)

    Dougherty, N. S.; Burnette, D. W.; Holt, J. B.; Matienzo, Jose

    1993-07-01

    Time-accurate unsteady flow simulations are being performed supporting the SRM T+68sec pressure 'spike' anomaly investigation. The anomaly occurred in the RH SRM during the STS-54 flight (STS-54B) but not in the LH SRM (STS-54A) causing a momentary thrust mismatch approaching the allowable limit at that time into the flight. Full-motor internal flow simulations using the USA-2D axisymmetric code are in progress for the nominal propellant burn-back geometry and flow conditions at T+68-sec--Pc = 630 psi, gamma = 1.1381, T(sub c) = 6200 R, perfect gas without aluminum particulate. In a cooperative effort with other investigation team members, CFD-derived pressure loading on the NBR and castable inhibitors was used iteratively to obtain nominal deformed geometry of each inhibitor, and the deformed (bent back) inhibitor geometry was entered into this model. Deformed geometry was computed using structural finite-element models. A solution for the unsteady flow has been obtained for the nominal flow conditions (existing prior to the occurrence of the anomaly) showing sustained standing pressure oscillations at nominally 14.5 Hz in the motor IL acoustic mode that flight and static test data confirm to be normally present at this time. Average mass flow discharged from the nozzle was confirmed to be the nominal expected (9550 lbm/sec). The local inlet boundary condition is being perturbed at the location of the presumed reconstructed anomaly as identified by interior ballistics performance specialist team members. A time variation in local mass flow is used to simulate sudden increase in burning area due to localized propellant grain cracks. The solution will proceed to develop a pressure rise (proportional to total mass flow rate change squared). The volume-filling time constant (equivalent to 0.5 Hz) comes into play in shaping the rise rate of the developing pressure 'spike' as it propagates at the speed of sound in both directions to the motor head end and nozzle. The

  1. Vibronic coupling simulations for linear and nonlinear optical processes: Simulation results

    NASA Astrophysics Data System (ADS)

    Silverstein, Daniel W.; Jensen, Lasse

    2012-02-01

    A vibronic coupling model based on time-dependent wavepacket approach is applied to simulate linear optical processes, such as one-photon absorbance and resonance Raman scattering, and nonlinear optical processes, such as two-photon absorbance and resonance hyper-Raman scattering, on a series of small molecules. Simulations employing both the long-range corrected approach in density functional theory and coupled cluster are compared and also examined based on available experimental data. Although many of the small molecules are prone to anharmonicity in their potential energy surfaces, the harmonic approach performs adequately. A detailed discussion of the non-Condon effects is illustrated by the molecules presented in this work. Linear and nonlinear Raman scattering simulations allow for the quantification of interference between the Franck-Condon and Herzberg-Teller terms for different molecules.

  2. Simulating Dissolution of Intravitreal Triamcinolone Acetonide Suspensions in an Anatomically Accurate Rabbit Eye Model

    PubMed Central

    Horner, Marc; Muralikrishnan, R.

    2010-01-01

    ABSTRACT Purpose A computational fluid dynamics (CFD) study examined the impact of particle size on dissolution rate and residence of intravitreal suspension depots of Triamcinolone Acetonide (TAC). Methods A model for the rabbit eye was constructed using insights from high-resolution NMR imaging studies (Sawada 2002). The current model was compared to other published simulations in its ability to predict clearance of various intravitreally injected materials. Suspension depots were constructed explicitly rendering individual particles in various configurations: 4 or 16 mg drug confined to a 100 μL spherical depot, or 4 mg exploded to fill the entire vitreous. Particle size was reduced systematically in each configuration. The convective diffusion/dissolution process was simulated using a multiphase model. Results Release rate became independent of particle diameter below a certain value. The size-independent limits occurred for particle diameters ranging from 77 to 428 μM depending upon the depot configuration. Residence time predicted for the spherical depots in the size-independent limit was comparable to that observed in vivo. Conclusions Since the size-independent limit was several-fold greater than the particle size of commercially available pharmaceutical TAC suspensions, differences in particle size amongst such products are predicted to be immaterial to their duration or performance. PMID:20467888

  3. Highly Accurate Quantitative Analysis Of Enantiomeric Mixtures from Spatially Frequency Encoded 1H NMR Spectra.

    PubMed

    Plainchont, Bertrand; Pitoux, Daisy; Cyrille, Mathieu; Giraud, Nicolas

    2018-02-06

    We propose an original concept to measure accurately enantiomeric excesses on proton NMR spectra, which combines high-resolution techniques based on a spatial encoding of the sample, with the use of optically active weakly orienting solvents. We show that it is possible to simulate accurately dipolar edited spectra of enantiomers dissolved in a chiral liquid crystalline phase, and to use these simulations to calibrate integrations that can be measured on experimental data, in order to perform a quantitative chiral analysis. This approach is demonstrated on a chemical intermediate for which optical purity is an essential criterion. We find that there is a very good correlation between the experimental and calculated integration ratios extracted from G-SERF spectra, which paves the way to a general method of determination of enantiomeric excesses based on the observation of 1 H nuclei.

  4. Tau-independent Phase Analysis: A Novel Method for Accurately Determining Phase Shifts.

    PubMed

    Tackenberg, Michael C; Jones, Jeff R; Page, Terry L; Hughey, Jacob J

    2018-06-01

    Estimations of period and phase are essential in circadian biology. While many techniques exist for estimating period, comparatively few methods are available for estimating phase. Current approaches to analyzing phase often vary between studies and are sensitive to coincident changes in period and the stage of the circadian cycle at which the stimulus occurs. Here we propose a new technique, tau-independent phase analysis (TIPA), for quantifying phase shifts in multiple types of circadian time-course data. Through comprehensive simulations, we show that TIPA is both more accurate and more precise than the standard actogram approach. TIPA is computationally simple and therefore will enable accurate and reproducible quantification of phase shifts across multiple subfields of chronobiology.

  5. Conducting Simulation Studies in the R Programming Environment.

    PubMed

    Hallgren, Kevin A

    2013-10-12

    Simulation studies allow researchers to answer specific questions about data analysis, statistical power, and best-practices for obtaining accurate results in empirical research. Despite the benefits that simulation research can provide, many researchers are unfamiliar with available tools for conducting their own simulation studies. The use of simulation studies need not be restricted to researchers with advanced skills in statistics and computer programming, and such methods can be implemented by researchers with a variety of abilities and interests. The present paper provides an introduction to methods used for running simulation studies using the R statistical programming environment and is written for individuals with minimal experience running simulation studies or using R. The paper describes the rationale and benefits of using simulations and introduces R functions relevant for many simulation studies. Three examples illustrate different applications for simulation studies, including (a) the use of simulations to answer a novel question about statistical analysis, (b) the use of simulations to estimate statistical power, and (c) the use of simulations to obtain confidence intervals of parameter estimates through bootstrapping. Results and fully annotated syntax from these examples are provided.

  6. Accurate determinations of alpha(s) from realistic lattice QCD.

    PubMed

    Mason, Q; Trottier, H D; Davies, C T H; Foley, K; Gray, A; Lepage, G P; Nobes, M; Shigemitsu, J

    2005-07-29

    We obtain a new value for the QCD coupling constant by combining lattice QCD simulations with experimental data for hadron masses. Our lattice analysis is the first to (1) include vacuum polarization effects from all three light-quark flavors (using MILC configurations), (2) include third-order terms in perturbation theory, (3) systematically estimate fourth and higher-order terms, (4) use an unambiguous lattice spacing, and (5) use an [symbol: see text](a2)-accurate QCD action. We use 28 different (but related) short-distance quantities to obtain alpha((5)/(MS))(M(Z)) = 0.1170(12).

  7. Is 50 Hz high enough ECG sampling frequency for accurate HRV analysis?

    PubMed

    Mahdiani, Shadi; Jeyhani, Vala; Peltokangas, Mikko; Vehkaoja, Antti

    2015-01-01

    With the worldwide growth of mobile wireless technologies, healthcare services can be provided at anytime and anywhere. Usage of wearable wireless physiological monitoring system has been extensively increasing during the last decade. These mobile devices can continuously measure e.g. the heart activity and wirelessly transfer the data to the mobile phone of the patient. One of the significant restrictions for these devices is usage of energy, which leads to requiring low sampling rate. This article is presented in order to investigate the lowest adequate sampling frequency of ECG signal, for achieving accurate enough time domain heart rate variability (HRV) parameters. For this purpose the ECG signals originally measured with high 5 kHz sampling rate were down-sampled to simulate the measurement with lower sampling rate. Down-sampling loses information, decreases temporal accuracy, which was then restored by interpolating the signals to their original sampling rates. The HRV parameters obtained from the ECG signals with lower sampling rates were compared. The results represent that even when the sampling rate of ECG signal is equal to 50 Hz, the HRV parameters are almost accurate with a reasonable error.

  8. Development and application of accurate analytical models for single active electron potentials

    NASA Astrophysics Data System (ADS)

    Miller, Michelle; Jaron-Becker, Agnieszka; Becker, Andreas

    2015-05-01

    The single active electron (SAE) approximation is a theoretical model frequently employed to study scenarios in which inner-shell electrons may productively be treated as frozen spectators to a physical process of interest, and accurate analytical approximations for these potentials are sought as a useful simulation tool. Density function theory is often used to construct a SAE potential, requiring that a further approximation for the exchange correlation functional be enacted. In this study, we employ the Krieger, Li, and Iafrate (KLI) modification to the optimized-effective-potential (OEP) method to reduce the complexity of the problem to the straightforward solution of a system of linear equations through simple arguments regarding the behavior of the exchange-correlation potential in regions where a single orbital dominates. We employ this method for the solution of atomic and molecular potentials, and use the resultant curve to devise a systematic construction for highly accurate and useful analytical approximations for several systems. Supported by the U.S. Department of Energy (Grant No. DE-FG02-09ER16103), and the U.S. National Science Foundation (Graduate Research Fellowship, Grants No. PHY-1125844 and No. PHY-1068706).

  9. A robust recognition and accurate locating method for circular coded diagonal target

    NASA Astrophysics Data System (ADS)

    Bao, Yunna; Shang, Yang; Sun, Xiaoliang; Zhou, Jiexin

    2017-10-01

    As a category of special control points which can be automatically identified, artificial coded targets have been widely developed in the field of computer vision, photogrammetry, augmented reality, etc. In this paper, a new circular coded target designed by RockeTech technology Corp. Ltd is analyzed and studied, which is called circular coded diagonal target (CCDT). A novel detection and recognition method with good robustness is proposed in the paper, and implemented on Visual Studio. In this algorithm, firstly, the ellipse features of the center circle are used for rough positioning. Then, according to the characteristics of the center diagonal target, a circular frequency filter is designed to choose the correct center circle and eliminates non-target noise. The precise positioning of the coded target is done by the correlation coefficient fitting extreme value method. Finally, the coded target recognition is achieved by decoding the binary sequence in the outer ring of the extracted target. To test the proposed algorithm, this paper has carried out simulation experiments and real experiments. The results show that the CCDT recognition and accurate locating method proposed in this paper can robustly recognize and accurately locate the targets in complex and noisy background.

  10. Iterative feature refinement for accurate undersampled MR image reconstruction

    NASA Astrophysics Data System (ADS)

    Wang, Shanshan; Liu, Jianbo; Liu, Qiegen; Ying, Leslie; Liu, Xin; Zheng, Hairong; Liang, Dong

    2016-05-01

    Accelerating MR scan is of great significance for clinical, research and advanced applications, and one main effort to achieve this is the utilization of compressed sensing (CS) theory. Nevertheless, the existing CSMRI approaches still have limitations such as fine structure loss or high computational complexity. This paper proposes a novel iterative feature refinement (IFR) module for accurate MR image reconstruction from undersampled K-space data. Integrating IFR with CSMRI which is equipped with fixed transforms, we develop an IFR-CS method to restore meaningful structures and details that are originally discarded without introducing too much additional complexity. Specifically, the proposed IFR-CS is realized with three iterative steps, namely sparsity-promoting denoising, feature refinement and Tikhonov regularization. Experimental results on both simulated and in vivo MR datasets have shown that the proposed module has a strong capability to capture image details, and that IFR-CS is comparable and even superior to other state-of-the-art reconstruction approaches.

  11. High Fidelity BWR Fuel Simulations

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yoon, Su Jong

    This report describes the Consortium for Advanced Simulation of Light Water Reactors (CASL) work conducted for completion of the Thermal Hydraulics Methods (THM) Level 3 milestone THM.CFD.P13.03: High Fidelity BWR Fuel Simulation. High fidelity computational fluid dynamics (CFD) simulation for Boiling Water Reactor (BWR) was conducted to investigate the applicability and robustness performance of BWR closures. As a preliminary study, a CFD model with simplified Ferrule spacer grid geometry of NUPEC BWR Full-size Fine-mesh Bundle Test (BFBT) benchmark has been implemented. Performance of multiphase segregated solver with baseline boiling closures has been evaluated. Although the mean values of void fractionmore » and exit quality of CFD result for BFBT case 4101-61 agreed with experimental data, the local void distribution was not predicted accurately. The mesh quality was one of the critical factors to obtain converged result. The stability and robustness of the simulation was mainly affected by the mesh quality, combination of BWR closure models. In addition, the CFD modeling of fully-detailed spacer grid geometry with mixing vane is necessary for improving the accuracy of CFD simulation.« less

  12. Impact of detector simulation in particle physics collider experiments

    NASA Astrophysics Data System (ADS)

    Daniel Elvira, V.

    2017-06-01

    Through the last three decades, accurate simulation of the interactions of particles with matter and modeling of detector geometries has proven to be of critical importance to the success of the international high-energy physics (HEP) experimental programs. For example, the detailed detector modeling and accurate physics of the Geant4-based simulation software of the CMS and ATLAS particle physics experiments at the European Center of Nuclear Research (CERN) Large Hadron Collider (LHC) was a determinant factor for these collaborations to deliver physics results of outstanding quality faster than any hadron collider experiment ever before. This review article highlights the impact of detector simulation on particle physics collider experiments. It presents numerous examples of the use of simulation, from detector design and optimization, through software and computing development and testing, to cases where the use of simulation samples made a difference in the precision of the physics results and publication turnaround, from data-taking to submission. It also presents estimates of the cost and economic impact of simulation in the CMS experiment. Future experiments will collect orders of magnitude more data with increasingly complex detectors, taxing heavily the performance of simulation and reconstruction software. Consequently, exploring solutions to speed up simulation and reconstruction software to satisfy the growing demand of computing resources in a time of flat budgets is a matter that deserves immediate attention. The article ends with a short discussion on the potential solutions that are being considered, based on leveraging core count growth in multicore machines, using new generation coprocessors, and re-engineering HEP code for concurrency and parallel computing.

  13. Multiscale simulation of molecular processes in cellular environments.

    PubMed

    Chiricotto, Mara; Sterpone, Fabio; Derreumaux, Philippe; Melchionna, Simone

    2016-11-13

    We describe the recent advances in studying biological systems via multiscale simulations. Our scheme is based on a coarse-grained representation of the macromolecules and a mesoscopic description of the solvent. The dual technique handles particles, the aqueous solvent and their mutual exchange of forces resulting in a stable and accurate methodology allowing biosystems of unprecedented size to be simulated.This article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'. © 2016 The Author(s).

  14. Next Generation Vehicle Positioning and Simulation Solutions : Using GPS and Advanced Simulation Tools to Improve Highway Safety

    DOT National Transportation Integrated Search

    2013-06-03

    "Integrated Global Positioning System and Inertial Navigation Unit (GPS/INU) Simulator for Enhanced Traffic Safety," is a project awarded to Ohio State University to integrate different simulation models to accurately study the relationship between v...

  15. TOPAS Tool for Particle Simulation

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Perl, Joseph

    2013-05-30

    TOPAS lets users simulate the passage of subatomic particles moving through any kind of radiation therapy treatment system, can import a patient geometry, can record dose and other quantities, has advanced graphics, and is fully four-dimensional (3D plus time) to handle the most challenging time-dependent aspects of modern cancer treatments.TOPAS unlocks the power of the most accurate particle transport simulation technique, the Monte Carlo (MC) method, while removing the painstaking coding work such methods used to require. Research physicists can use TOPAS to improve delivery systems towards safer and more effective radiation therapy treatments, easily setting up and running complexmore » simulations that previously used to take months of preparation. Clinical physicists can use TOPAS to increase accuracy while reducing side effects, simulating patient-specific treatment plans at the touch of a button. TOPAS is designed as a “user code” layered on top of the Geant4 Simulation Toolkit. TOPAS includes the standard Geant4 toolkit, plus additional code to make Geant4 easier to control and to extend Geant4 functionality. TOPAS aims to make proton simulation both “reliable” and “repeatable.” “Reliable” means both accurate physics and a high likelihood to simulate precisely what the user intended to simulate, reducing issues of wrong units, wrong materials, wrong scoring locations, etc. “Repeatable” means not just getting the same result from one simulation to another, but being able to easily restore a previously used setup and reducing sources of error when a setup is passed from one user to another. TOPAS control system incorporates key lessons from safety management, proactively removing possible sources of user error such as line-ordering mistakes In control files. TOPAS has been used to model proton therapy treatment examples including the UCSF eye treatment head, the MGH stereotactic alignment in radiosurgery treatment head and the MGH gantry

  16. Intracranial hemorrhage alters scalp potential distribution in bioimpedance cerebral monitoring: Preliminary results from FEM simulation on a realistic head model and human subjects

    PubMed Central

    Atefi, Seyed Reza; Seoane, Fernando; Kamalian, Shervin; Rosenthal, Eric S.; Lev, Michael H.; Bonmassar, Giorgio

    2016-01-01

    Purpose: Current diagnostic neuroimaging for detection of intracranial hemorrhage (ICH) is limited to fixed scanners requiring patient transport and extensive infrastructure support. ICH diagnosis would therefore benefit from a portable diagnostic technology, such as electrical bioimpedance (EBI). Through simulations and patient observation, the authors assessed the influence of unilateral ICH hematomas on quasisymmetric scalp potential distributions in order to establish the feasibility of EBI technology as a potential tool for early diagnosis. Methods: Finite element method (FEM) simulations and experimental left–right hemispheric scalp potential differences of healthy and damaged brains were compared with respect to the asymmetry caused by ICH lesions on quasisymmetric scalp potential distributions. In numerical simulations, this asymmetry was measured at 25 kHz and visualized on the scalp as the normalized potential difference between the healthy and ICH damaged models. Proof-of-concept simulations were extended in a pilot study of experimental scalp potential measurements recorded between 0 and 50 kHz with the authors’ custom-made bioimpedance spectrometer. Mean left–right scalp potential differences recorded from the frontal, central, and parietal brain regions of ten healthy control and six patients suffering from acute/subacute ICH were compared. The observed differences were measured at the 5% level of significance using the two-sample Welch t-test. Results: The 3D-anatomically accurate FEM simulations showed that the normalized scalp potential difference between the damaged and healthy brain models is zero everywhere on the head surface, except in the vicinity of the lesion, where it can vary up to 5%. The authors’ preliminary experimental results also confirmed that the left–right scalp potential difference in patients with ICH (e.g., 64 mV) is significantly larger than in healthy subjects (e.g., 20.8 mV; P < 0.05). Conclusions: Realistic

  17. Parametric model of human body shape and ligaments for patient-specific epidural simulation.

    PubMed

    Vaughan, Neil; Dubey, Venketesh N; Wee, Michael Y K; Isaacs, Richard

    2014-10-01

    This work is to build upon the concept of matching a person's weight, height and age to their overall body shape to create an adjustable three-dimensional model. A versatile and accurate predictor of body size and shape and ligament thickness is required to improve simulation for medical procedures. A model which is adjustable for any size, shape, body mass, age or height would provide ability to simulate procedures on patients of various body compositions. Three methods are provided for estimating body circumferences and ligament thicknesses for each patient. The first method is using empirical relations from body shape and size. The second method is to load a dataset from a magnetic resonance imaging (MRI) scan or ultrasound scan containing accurate ligament measurements. The third method is a developed artificial neural network (ANN) which uses MRI dataset as a training set and improves accuracy using error back-propagation, which learns to increase accuracy as more patient data is added. The ANN is trained and tested with clinical data from 23,088 patients. The ANN can predict subscapular skinfold thickness within 3.54 mm, waist circumference 3.92 cm, thigh circumference 2.00 cm, arm circumference 1.21 cm, calf circumference 1.40 cm, triceps skinfold thickness 3.43 mm. Alternative regression analysis method gave overall slightly less accurate predictions for subscapular skinfold thickness within 3.75 mm, waist circumference 3.84 cm, thigh circumference 2.16 cm, arm circumference 1.34 cm, calf circumference 1.46 cm, triceps skinfold thickness 3.89 mm. These calculations are used to display a 3D graphics model of the patient's body shape using OpenGL and adjusted by 3D mesh deformations. A patient-specific epidural simulator is presented using the developed body shape model, able to simulate needle insertion procedures on a 3D model of any patient size and shape. The developed ANN gave the most accurate results for body shape, size and ligament thickness. The

  18. Comparative Performance of Four Single Extreme Outlier Discordancy Tests from Monte Carlo Simulations

    PubMed Central

    Díaz-González, Lorena; Quiroz-Ruiz, Alfredo

    2014-01-01

    Using highly precise and accurate Monte Carlo simulations of 20,000,000 replications and 102 independent simulation experiments with extremely low simulation errors and total uncertainties, we evaluated the performance of four single outlier discordancy tests (Grubbs test N2, Dixon test N8, skewness test N14, and kurtosis test N15) for normal samples of sizes 5 to 20. Statistical contaminations of a single observation resulting from parameters called δ from ±0.1 up to ±20 for modeling the slippage of central tendency or ε from ±1.1 up to ±200 for slippage of dispersion, as well as no contamination (δ = 0 and ε = ±1), were simulated. Because of the use of precise and accurate random and normally distributed simulated data, very large replications, and a large number of independent experiments, this paper presents a novel approach for precise and accurate estimations of power functions of four popular discordancy tests and, therefore, should not be considered as a simple simulation exercise unrelated to probability and statistics. From both criteria of the Power of Test proposed by Hayes and Kinsella and the Test Performance Criterion of Barnett and Lewis, Dixon test N8 performs less well than the other three tests. The overall performance of these four tests could be summarized as N2≅N15 > N14 > N8. PMID:24737992

  19. Comparative performance of four single extreme outlier discordancy tests from Monte Carlo simulations.

    PubMed

    Verma, Surendra P; Díaz-González, Lorena; Rosales-Rivera, Mauricio; Quiroz-Ruiz, Alfredo

    2014-01-01

    Using highly precise and accurate Monte Carlo simulations of 20,000,000 replications and 102 independent simulation experiments with extremely low simulation errors and total uncertainties, we evaluated the performance of four single outlier discordancy tests (Grubbs test N2, Dixon test N8, skewness test N14, and kurtosis test N15) for normal samples of sizes 5 to 20. Statistical contaminations of a single observation resulting from parameters called δ from ±0.1 up to ±20 for modeling the slippage of central tendency or ε from ±1.1 up to ±200 for slippage of dispersion, as well as no contamination (δ = 0 and ε = ±1), were simulated. Because of the use of precise and accurate random and normally distributed simulated data, very large replications, and a large number of independent experiments, this paper presents a novel approach for precise and accurate estimations of power functions of four popular discordancy tests and, therefore, should not be considered as a simple simulation exercise unrelated to probability and statistics. From both criteria of the Power of Test proposed by Hayes and Kinsella and the Test Performance Criterion of Barnett and Lewis, Dixon test N8 performs less well than the other three tests. The overall performance of these four tests could be summarized as N2≅N15 > N14 > N8.

  20. Pelvic orientation for total hip arthroplasty in lateral decubitus: can it be accurately measured?

    PubMed

    Sykes, Alice M; Hill, Janet C; Orr, John F; Gill, Harinderjit S; Salazar, Jose J; Humphreys, Lee D; Beverland, David E

    2016-05-16

    During total hip arthroplasty (THA), accurately predicting acetabular cup orientation remains a key challenge, in great part because of uncertainty about pelvic orientation. This pilot study aimed to develop and validate a technique to measure pelvic orientation; establish its accuracy in the location of anatomical landmarks and subsequently; investigate if limb movement during a simulated surgical procedure alters pelvic orientation. The developed technique measured 3-D orientation of an isolated Sawbone pelvis, it was then implemented to measure pelvic orientation in lateral decubitus with post-THA patients (n = 20) using a motion capture system. Orientation of the isolated Sawbone pelvis was accurately measured, demonstrated by high correlations with angular data from a coordinate measurement machine; R-squared values close to 1 for all pelvic axes. When applied to volunteer subjects, largest movements occurred about the longitudinal pelvic axis; internal and external pelvic rotation. Rotations about the anteroposterior axis, which directly affect inclination angles, showed >75% of participants had movement within ±5° of neutral, 0°. The technique accurately measured orientation of the isolated bony pelvis. This was not the case in a simulated theatre environment. Soft tissue landmarks were difficult to palpate repeatedly. These findings have direct clinical relevance, landmark registration in lateral decubitus is a potential source of error, contributing here to large ranges in measured movement. Surgeons must be aware that present techniques using bony landmarks to reference pelvic orientation for cup implantation, both computer-based and mechanical, may not be sufficiently accurate.

  1. Broadband impedance boundary conditions for the simulation of sound propagation in the time domain.

    PubMed

    Bin, Jonghoon; Yousuff Hussaini, M; Lee, Soogab

    2009-02-01

    An accurate and practical surface impedance boundary condition in the time domain has been developed for application to broadband-frequency simulation in aeroacoustic problems. To show the capability of this method, two kinds of numerical simulations are performed and compared with the analytical/experimental results: one is acoustic wave reflection by a monopole source over an impedance surface and the other is acoustic wave propagation in a duct with a finite impedance wall. Both single-frequency and broadband-frequency simulations are performed within the framework of linearized Euler equations. A high-order dispersion-relation-preserving finite-difference method and a low-dissipation, low-dispersion Runge-Kutta method are used for spatial discretization and time integration, respectively. The results show excellent agreement with the analytical/experimental results at various frequencies. The method accurately predicts both the amplitude and the phase of acoustic pressure and ensures the well-posedness of the broadband time-domain impedance boundary condition.

  2. Simulation loop between cad systems, GEANT-4 and GeoModel: Implementation and results

    NASA Astrophysics Data System (ADS)

    Sharmazanashvili, A.; Tsutskiridze, Niko

    2016-09-01

    Compare analysis of simulation and as-built geometry descriptions of detector is important field of study for data_vs_Monte-Carlo discrepancies. Shapes consistency and detalization is not important while adequateness of volumes and weights of detector components are essential for tracking. There are 2 main reasons of faults of geometry descriptions in simulation: (1) Difference between simulated and as-built geometry descriptions; (2) Internal inaccuracies of geometry transformations added by simulation software infrastructure itself. Georgian Engineering team developed hub on the base of CATIA platform and several tools enabling to read in CATIA different descriptions used by simulation packages, like XML->CATIA; VP1->CATIA; Geo-Model->CATIA; Geant4->CATIA. As a result it becomes possible to compare different descriptions with each other using the full power of CATIA and investigate both classes of reasons of faults of geometry descriptions. Paper represents results of case studies of ATLAS Coils and End-Cap toroid structures.

  3. A Novel Simulation Technician Laboratory Design: Results of a Survey-Based Study

    PubMed Central

    Hughes, Patrick G; Friedl, Ed; Ortiz Figueroa, Fabiana; Cepeda Brito, Jose R; Frey, Jennifer; Birmingham, Lauren E; Atkinson, Steven Scott

    2016-01-01

    Objective  The purpose of this study was to elicit feedback from simulation technicians prior to developing the first simulation technician-specific simulation laboratory in Akron, OH. Background Simulation technicians serve a vital role in simulation centers within hospitals/health centers around the world. The first simulation technician degree program in the US has been approved in Akron, OH. To satisfy the requirements of this program and to meet the needs of this special audience of learners, a customized simulation lab is essential.  Method A web-based survey was circulated to simulation technicians prior to completion of the lab for the new program. The survey consisted of questions aimed at identifying structural and functional design elements of a novel simulation center for the training of simulation technicians. Quantitative methods were utilized to analyze data. Results Over 90% of technicians (n=65) think that a lab designed explicitly for the training of technicians is novel and beneficial. Approximately 75% of respondents think that the space provided appropriate audiovisual (AV) infrastructure and space to evaluate the ability of technicians to be independent. The respondents think that the lab needed more storage space, visualization space for a large number of students, and more space in the technical/repair area. Conclusions  A space designed for the training of simulation technicians was considered to be beneficial. This laboratory requires distinct space for technical repair, adequate bench space for the maintenance and repair of simulators, an appropriate AV infrastructure, and space to evaluate the ability of technicians to be independent. PMID:27096134

  4. Acoustic-based proton range verification in heterogeneous tissue: simulation studies

    NASA Astrophysics Data System (ADS)

    Jones, Kevin C.; Nie, Wei; Chu, James C. H.; Turian, Julius V.; Kassaee, Alireza; Sehgal, Chandra M.; Avery, Stephen

    2018-01-01

    Acoustic-based proton range verification (protoacoustics) is a potential in vivo technique for determining the Bragg peak position. Previous measurements and simulations have been restricted to homogeneous water tanks. Here, a CT-based simulation method is proposed and applied to a liver and prostate case to model the effects of tissue heterogeneity on the protoacoustic amplitude and time-of-flight range verification accuracy. For the liver case, posterior irradiation with a single proton pencil beam was simulated for detectors placed on the skin. In the prostate case, a transrectal probe measured the protoacoustic pressure generated by irradiation with five separate anterior proton beams. After calculating the proton beam dose deposition, each CT voxel’s material properties were mapped based on Hounsfield Unit values, and thermoacoustically-generated acoustic wave propagation was simulated with the k-Wave MATLAB toolbox. By comparing the simulation results for the original liver CT to homogenized variants, the effects of heterogeneity were assessed. For the liver case, 1.4 cGy of dose at the Bragg peak generated 50 mPa of pressure (13 cm distal), a 2×  lower amplitude than simulated in a homogeneous water tank. Protoacoustic triangulation of the Bragg peak based on multiple detector measurements resulted in 0.4 mm accuracy for a δ-function proton pulse irradiation of the liver. For the prostate case, higher amplitudes are simulated (92-1004 mPa) for closer detectors (<8 cm). For four of the prostate beams, the protoacoustic range triangulation was accurate to  ⩽1.6 mm (δ-function proton pulse). Based on the results, application of protoacoustic range verification to heterogeneous tissue will result in decreased signal amplitudes relative to homogeneous water tank measurements, but accurate range verification is still expected to be possible.

  5. A comparison among observations and earthquake simulator results for the allcal2 California fault model

    USGS Publications Warehouse

    Tullis, Terry. E.; Richards-Dinger, Keith B.; Barall, Michael; Dieterich, James H.; Field, Edward H.; Heien, Eric M.; Kellogg, Louise; Pollitz, Fred F.; Rundle, John B.; Sachs, Michael K.; Turcotte, Donald L.; Ward, Steven N.; Yikilmaz, M. Burak

    2012-01-01

    In order to understand earthquake hazards we would ideally have a statistical description of earthquakes for tens of thousands of years. Unfortunately the ∼100‐year instrumental, several 100‐year historical, and few 1000‐year paleoseismological records are woefully inadequate to provide a statistically significant record. Physics‐based earthquake simulators can generate arbitrarily long histories of earthquakes; thus they can provide a statistically meaningful history of simulated earthquakes. The question is, how realistic are these simulated histories? This purpose of this paper is to begin to answer that question. We compare the results between different simulators and with information that is known from the limited instrumental, historic, and paleoseismological data.As expected, the results from all the simulators show that the observational record is too short to properly represent the system behavior; therefore, although tests of the simulators against the limited observations are necessary, they are not a sufficient test of the simulators’ realism. The simulators appear to pass this necessary test. In addition, the physics‐based simulators show similar behavior even though there are large differences in the methodology. This suggests that they represent realistic behavior. Different assumptions concerning the constitutive properties of the faults do result in enhanced capabilities of some simulators. However, it appears that the similar behavior of the different simulators may result from the fault‐system geometry, slip rates, and assumed strength drops, along with the shared physics of stress transfer.This paper describes the results of running four earthquake simulators that are described elsewhere in this issue of Seismological Research Letters. The simulators ALLCAL (Ward, 2012), VIRTCAL (Sachs et al., 2012), RSQSim (Richards‐Dinger and Dieterich, 2012), and ViscoSim (Pollitz, 2012) were run on our most recent all‐California fault

  6. Implementation of quantum key distribution network simulation module in the network simulator NS-3

    NASA Astrophysics Data System (ADS)

    Mehic, Miralem; Maurhart, Oliver; Rass, Stefan; Voznak, Miroslav

    2017-10-01

    As the research in quantum key distribution (QKD) technology grows larger and becomes more complex, the need for highly accurate and scalable simulation technologies becomes important to assess the practical feasibility and foresee difficulties in the practical implementation of theoretical achievements. Due to the specificity of the QKD link which requires optical and Internet connection between the network nodes, to deploy a complete testbed containing multiple network hosts and links to validate and verify a certain network algorithm or protocol would be very costly. Network simulators in these circumstances save vast amounts of money and time in accomplishing such a task. The simulation environment offers the creation of complex network topologies, a high degree of control and repeatable experiments, which in turn allows researchers to conduct experiments and confirm their results. In this paper, we described the design of the QKD network simulation module which was developed in the network simulator of version 3 (NS-3). The module supports simulation of the QKD network in an overlay mode or in a single TCP/IP mode. Therefore, it can be used to simulate other network technologies regardless of QKD.

  7. A precise and accurate acupoint location obtained on the face using consistency matrix pointwise fusion method.

    PubMed

    Yanq, Xuming; Ye, Yijun; Xia, Yong; Wei, Xuanzhong; Wang, Zheyu; Ni, Hongmei; Zhu, Ying; Xu, Lingyu

    2015-02-01

    To develop a more precise and accurate method, and identified a procedure to measure whether an acupoint had been correctly located. On the face, we used an acupoint location from different acupuncture experts and obtained the most precise and accurate values of acupoint location based on the consistency information fusion algorithm, through a virtual simulation of the facial orientation coordinate system. Because of inconsistencies in each acupuncture expert's original data, the system error the general weight calculation. First, we corrected each expert of acupoint location system error itself, to obtain a rational quantification for each expert of acupuncture and moxibustion acupoint location consistent support degree, to obtain pointwise variable precision fusion results, to put every expert's acupuncture acupoint location fusion error enhanced to pointwise variable precision. Then, we more effectively used the measured characteristics of different acupuncture expert's acupoint location, to improve the measurement information utilization efficiency and acupuncture acupoint location precision and accuracy. Based on using the consistency matrix pointwise fusion method on the acupuncture experts' acupoint location values, each expert's acupoint location information could be calculated, and the most precise and accurate values of each expert's acupoint location could be obtained.

  8. Boundary pint corrections for variable radius plots - simulation results

    Treesearch

    Margaret Penner; Sam Otukol

    2000-01-01

    The boundary plot problem is encountered when a forest inventory plot includes two or more forest conditions. Depending on the correction method used, the resulting estimates can be biased. The various correction alternatives are reviewed. No correction, area correction, half sweep, and toss-back methods are evaluated using simulation on an actual data set. Based on...

  9. Improving the trust in results of numerical simulations and scientific data analytics

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Cappello, Franck; Constantinescu, Emil; Hovland, Paul

    This white paper investigates several key aspects of the trust that a user can give to the results of numerical simulations and scientific data analytics. In this document, the notion of trust is related to the integrity of numerical simulations and data analytics applications. This white paper complements the DOE ASCR report on Cybersecurity for Scientific Computing Integrity by (1) exploring the sources of trust loss; (2) reviewing the definitions of trust in several areas; (3) providing numerous cases of result alteration, some of them leading to catastrophic failures; (4) examining the current notion of trust in numerical simulation andmore » scientific data analytics; (5) providing a gap analysis; and (6) suggesting two important research directions and their respective research topics. To simplify the presentation without loss of generality, we consider that trust in results can be lost (or the results’ integrity impaired) because of any form of corruption happening during the execution of the numerical simulation or the data analytics application. In general, the sources of such corruption are threefold: errors, bugs, and attacks. Current applications are already using techniques to deal with different types of corruption. However, not all potential corruptions are covered by these techniques. We firmly believe that the current level of trust that a user has in the results is at least partially founded on ignorance of this issue or the hope that no undetected corruptions will occur during the execution. This white paper explores the notion of trust and suggests recommendations for developing a more scientifically grounded notion of trust in numerical simulation and scientific data analytics. We first formulate the problem and show that it goes beyond previous questions regarding the quality of results such as V&V, uncertainly quantification, and data assimilation. We then explore the complexity of this difficult problem, and we sketch complementary

  10. Additional confirmation of the validity of laboratory simulation of cloud radiances

    NASA Technical Reports Server (NTRS)

    Davis, J. M.; Cox, S. K.

    1986-01-01

    The results of a laboratory experiment are presented that provide additional verification of the methodology adopted for simulation of the radiances reflected from fields of optically thick clouds using the Cloud Field Optical Simulator (CFOS) at Colorado State University. The comparison of these data with their theoretically derived counterparts indicates that the crucial mechanism of cloud-to-cloud radiance field interaction is accurately simulated in the CFOS experiments and adds confidence to the manner in which the optical depth is scaled.

  11. Accurate reconstruction of 3D cardiac geometry from coarsely-sliced MRI.

    PubMed

    Ringenberg, Jordan; Deo, Makarand; Devabhaktuni, Vijay; Berenfeld, Omer; Snyder, Brett; Boyers, Pamela; Gold, Jeffrey

    2014-02-01

    We present a comprehensive validation analysis to assess the geometric impact of using coarsely-sliced short-axis images to reconstruct patient-specific cardiac geometry. The methods utilize high-resolution diffusion tensor MRI (DTMRI) datasets as reference geometries from which synthesized coarsely-sliced datasets simulating in vivo MRI were produced. 3D models are reconstructed from the coarse data using variational implicit surfaces through a commonly used modeling tool, CardioViz3D. The resulting geometries were then compared to the reference DTMRI models from which they were derived to analyze how well the synthesized geometries approximate the reference anatomy. Averaged over seven hearts, 95% spatial overlap, less than 3% volume variability, and normal-to-surface distance of 0.32 mm was observed between the synthesized myocardial geometries reconstructed from 8 mm sliced images and the reference data. The results provide strong supportive evidence to validate the hypothesis that coarsely-sliced MRI may be used to accurately reconstruct geometric ventricular models. Furthermore, the use of DTMRI for validation of in vivo MRI presents a novel benchmark procedure for studies which aim to substantiate their modeling and simulation methods using coarsely-sliced cardiac data. In addition, the paper outlines a suggested original procedure for deriving image-based ventricular models using the CardioViz3D software. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

  12. Ultrasonic Phased Array Simulations of Welded Components at NASA

    NASA Technical Reports Server (NTRS)

    Roth, D. J.; Tokars, R. P.; Martin, R. E.; Rauser, R. W.; Aldrin, J. C.

    2009-01-01

    Comprehensive and accurate inspections of welded components have become of increasing importance as NASA develops new hardware such as Ares rocket segments for future exploration missions. Simulation and modeling will play an increasing role in the future for nondestructive evaluation in order to better understand the physics of the inspection process, to prove or disprove the feasibility for an inspection method or inspection scenario, for inspection optimization, for better understanding of experimental results, and for assessment of probability of detection. This study presents simulation and experimental results for an ultrasonic phased array inspection of a critical welded structure important for NASA future exploration vehicles. Keywords: nondestructive evaluation, computational simulation, ultrasonics, weld, modeling, phased array

  13. Estimating the Effective Permittivity for Reconstructing Accurate Microwave-Radar Images.

    PubMed

    Lavoie, Benjamin R; Okoniewski, Michal; Fear, Elise C

    2016-01-01

    We present preliminary results from a method for estimating the optimal effective permittivity for reconstructing microwave-radar images. Using knowledge of how microwave-radar images are formed, we identify characteristics that are typical of good images, and define a fitness function to measure the relative image quality. We build a polynomial interpolant of the fitness function in order to identify the most likely permittivity values of the tissue. To make the estimation process more efficient, the polynomial interpolant is constructed using a locally and dimensionally adaptive sampling method that is a novel combination of stochastic collocation and polynomial chaos. Examples, using a series of simulated, experimental and patient data collected using the Tissue Sensing Adaptive Radar system, which is under development at the University of Calgary, are presented. These examples show how, using our method, accurate images can be reconstructed starting with only a broad estimate of the permittivity range.

  14. Comparison of the analytical and simulation results of the equilibrium beam profile

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Liu, Z. J.; Zhu Shaoping; Cao, L. H.

    2007-10-15

    The evolution of high current electron beams in dense plasmas has been investigated by using two-dimensional particle-in-cell (PIC) simulations with immobile ions. It is shown that electron beams are split into many filaments at the beginning due to the Weibel instability, and then different filamentation beams attract each other and coalesce. The profile of the filaments can be described by formulas. Hammer et al. [Phys. Fluids 13, 1831 (1970)] developed a self-consistent relativistic electron beam model that allows the propagation of relativistic electron fluxes in excess of the Alfven-Lawson critical-current limit for a fully neutralized beam. The equilibrium solution hasmore » been observed in the simulation results, but the electron distribution function assumed by Hammer et al. is different from the simulation results.« less

  15. Evaluation of the EURO-CORDEX RCMs to accurately simulate the Etesian wind system

    NASA Astrophysics Data System (ADS)

    Dafka, Stella; Xoplaki, Elena; Toreti, Andrea; Zanis, Prodromos; Tyrlis, Evangelos; Luterbacher, Jürg

    2016-04-01

    The Etesians are among the most persistent regional scale wind systems in the lower troposphere that blow over the Aegean Sea during the extended summer season. ΑAn evaluation of the high spatial resolution, EURO-CORDEX Regional Climate Models (RCMs) is here presented. The study documents the performance of the individual models in representing the basic spatiotemporal pattern of the Etesian wind system for the period 1989-2004. The analysis is mainly focused on evaluating the abilities of the RCMs in simulating the surface wind over the Aegean Sea and the associated large scale atmospheric circulation. Mean Sea Level Pressure (SLP), wind speed and geopotential height at 500 hPa are used. The simulated results are validated against reanalysis datasets (20CR-v2c and ERA20-C) and daily observational measurements (12:00 UTC) from the mainland Greece and Aegean Sea. The analysis highlights the general ability of the RCMs to capture the basic features of the Etesians, but also indicates considerable deficiencies for selected metrics, regions and subperiods. Some of these deficiencies include the significant underestimation (overestimation) of the mean SLP in the northeastern part of the analysis domain in all subperiods (for May and June) when compared to 20CR-v2c (ERA20-C), the significant overestimation of the anomalous ridge over the Balkans and central Europe and the underestimation of the wind speed over the Aegean Sea. Future work will include an assessment of the Etesians for the next decades using EURO-CORDEX projections under different RCP scenarios and estimate the future potential for wind energy production.

  16. Planck 2015 results. XII. Full focal plane simulations

    NASA Astrophysics Data System (ADS)

    Planck Collaboration; Ade, P. A. R.; Aghanim, N.; Arnaud, M.; Ashdown, M.; Aumont, J.; Baccigalupi, C.; Banday, A. J.; Barreiro, R. B.; Bartlett, J. G.; Bartolo, N.; Battaner, E.; Benabed, K.; Benoît, A.; Benoit-Lévy, A.; Bernard, J.-P.; Bersanelli, M.; Bielewicz, P.; Bock, J. J.; Bonaldi, A.; Bonavera, L.; Bond, J. R.; Borrill, J.; Bouchet, F. R.; Boulanger, F.; Bucher, M.; Burigana, C.; Butler, R. C.; Calabrese, E.; Cardoso, J.-F.; Castex, G.; Catalano, A.; Challinor, A.; Chamballu, A.; Chiang, H. C.; Christensen, P. R.; Clements, D. L.; Colombi, S.; Colombo, L. P. L.; Combet, C.; Couchot, F.; Coulais, A.; Crill, B. P.; Curto, A.; Cuttaia, F.; Danese, L.; Davies, R. D.; Davis, R. J.; de Bernardis, P.; de Rosa, A.; de Zotti, G.; Delabrouille, J.; Delouis, J.-M.; Désert, F.-X.; Dickinson, C.; Diego, J. M.; Dolag, K.; Dole, H.; Donzelli, S.; Doré, O.; Douspis, M.; Ducout, A.; Dupac, X.; Efstathiou, G.; Elsner, F.; Enßlin, T. A.; Eriksen, H. K.; Fergusson, J.; Finelli, F.; Forni, O.; Frailis, M.; Fraisse, A. A.; Franceschi, E.; Frejsel, A.; Galeotta, S.; Galli, S.; Ganga, K.; Ghosh, T.; Giard, M.; Giraud-Héraud, Y.; Gjerløw, E.; González-Nuevo, J.; Górski, K. M.; Gratton, S.; Gregorio, A.; Gruppuso, A.; Gudmundsson, J. E.; Hansen, F. K.; Hanson, D.; Harrison, D. L.; Henrot-Versillé, S.; Hernández-Monteagudo, C.; Herranz, D.; Hildebrandt, S. R.; Hivon, E.; Hobson, M.; Holmes, W. A.; Hornstrup, A.; Hovest, W.; Huffenberger, K. M.; Hurier, G.; Jaffe, A. H.; Jaffe, T. R.; Jones, W. C.; Juvela, M.; Karakci, A.; Keihänen, E.; Keskitalo, R.; Kiiveri, K.; Kisner, T. S.; Kneissl, R.; Knoche, J.; Kunz, M.; Kurki-Suonio, H.; Lagache, G.; Lamarre, J.-M.; Lasenby, A.; Lattanzi, M.; Lawrence, C. R.; Leonardi, R.; Lesgourgues, J.; Levrier, F.; Liguori, M.; Lilje, P. B.; Linden-Vørnle, M.; Lindholm, V.; López-Caniego, M.; Lubin, P. M.; Macías-Pérez, J. F.; Maggio, G.; Maino, D.; Mandolesi, N.; Mangilli, A.; Maris, M.; Martin, P. G.; Martínez-González, E.; Masi, S.; Matarrese, S.; McGehee, P.; Meinhold, P. R.; Melchiorri, A.; Melin, J.-B.; Mendes, L.; Mennella, A.; Migliaccio, M.; Mitra, S.; Miville-Deschênes, M.-A.; Moneti, A.; Montier, L.; Morgante, G.; Mortlock, D.; Moss, A.; Munshi, D.; Murphy, J. A.; Naselsky, P.; Nati, F.; Natoli, P.; Netterfield, C. B.; Nørgaard-Nielsen, H. U.; Noviello, F.; Novikov, D.; Novikov, I.; Oxborrow, C. A.; Paci, F.; Pagano, L.; Pajot, F.; Paoletti, D.; Pasian, F.; Patanchon, G.; Pearson, T. J.; Perdereau, O.; Perotto, L.; Perrotta, F.; Pettorino, V.; Piacentini, F.; Piat, M.; Pierpaoli, E.; Pietrobon, D.; Plaszczynski, S.; Pointecouteau, E.; Polenta, G.; Pratt, G. W.; Prézeau, G.; Prunet, S.; Puget, J.-L.; Rachen, J. P.; Rebolo, R.; Reinecke, M.; Remazeilles, M.; Renault, C.; Renzi, A.; Ristorcelli, I.; Rocha, G.; Roman, M.; Rosset, C.; Rossetti, M.; Roudier, G.; Rubiño-Martín, J. A.; Rusholme, B.; Sandri, M.; Santos, D.; Savelainen, M.; Scott, D.; Seiffert, M. D.; Shellard, E. P. S.; Spencer, L. D.; Stolyarov, V.; Stompor, R.; Sudiwala, R.; Sutton, D.; Suur-Uski, A.-S.; Sygnet, J.-F.; Tauber, J. A.; Terenzi, L.; Toffolatti, L.; Tomasi, M.; Tristram, M.; Tucci, M.; Tuovinen, J.; Valenziano, L.; Valiviita, J.; Van Tent, B.; Vielva, P.; Villa, F.; Wade, L. A.; Wandelt, B. D.; Wehus, I. K.; Welikala, N.; Yvon, D.; Zacchei, A.; Zonca, A.

    2016-09-01

    We present the 8th full focal plane simulation set (FFP8), deployed in support of the Planck 2015 results. FFP8 consists of 10 fiducial mission realizations reduced to 18 144 maps, together with the most massive suite of Monte Carlo realizations of instrument noise and CMB ever generated, comprising 104 mission realizations reduced to about 106 maps. The resulting maps incorporate the dominant instrumental, scanning, and data analysis effects, and the remaining subdominant effects will be included in future updates. Generated at a cost of some 25 million CPU-hours spread across multiple high-performance-computing (HPC) platforms, FFP8 is used to validate and verify analysis algorithms and their implementations, and to remove biases from and quantify uncertainties in the results of analyses of the real data.

  17. Liquid Oxygen/Liquid Methane Test Results of the RS-18 Lunar Ascent Engine at Simulated Altitude Conditions at NASA White Sands Test Facility

    NASA Technical Reports Server (NTRS)

    Melcher, John C., IV; Allred, Jennifer K.

    2009-01-01

    Tests were conducted with the RS-18 rocket engine using liquid oxygen (LO2) and liquid methane (LCH4) propellants under simulated altitude conditions at NASA Johnson Space Center White Sands Test Facility (WSTF). This project is part of NASA's Propulsion and Cryogenics Advanced Development (PCAD) project. "Green" propellants, such as LO2/LCH4, offer savings in both performance and safety over equivalently sized hypergolic propulsion systems in spacecraft applications such as ascent engines or service module engines. Altitude simulation was achieved using the WSTF Large Altitude Simulation System, which provided altitude conditions equivalent up to 122,000 ft (37 km). For specific impulse calculations, engine thrust and propellant mass flow rates were measured. LO2 flow ranged from 5.9 - 9.5 lbm/sec (2.7 - 4.3 kg/sec), and LCH4 flow varied from 3.0 - 4.4 lbm/sec (1.4 - 2.0 kg/sec) during the RS-18 hot-fire test series. Propellant flow rate was measured using a coriolis mass-flow meter and compared with a serial turbine-style flow meter. Results showed a significant performance measurement difference during ignition startup due to two-phase flow effects. Subsequent cold-flow testing demonstrated that the propellant manifolds must be adequately flushed in order for the coriolis flow meters to give accurate data. The coriolis flow meters were later shown to provide accurate steady-state data, but the turbine flow meter data should be used in transient phases of operation. Thrust was measured using three load cells in parallel, which also provides the capability to calculate thrust vector alignment. Ignition was demonstrated using a gaseous oxygen/methane spark torch igniter. Test objectives for the RS-18 project are 1) conduct a shakedown of the test stand for LO2/methane lunar ascent engines, 2) obtain vacuum ignition data for the torch and pyrotechnic igniters, and 3) obtain nozzle kinetics data to anchor two-dimensional kinetics codes. All of these objectives were

  18. Molecular-dynamics simulation of mutual diffusion in nonideal liquid mixtures

    NASA Astrophysics Data System (ADS)

    Rowley, R. L.; Stoker, J. M.; Giles, N. F.

    1991-05-01

    The mutual-diffusion coefficients, D 12, of n-hexane, n-heptane, and n-octane in chloroform were modeled using equilibrium molecular-dynamics (MD) simulations of simple Lennard-Jones (LJ) fluids. Pure-component LJ parameters were obtained by comparison of simulations to experimental self-diffusion coefficients. While values of “effective” LJ parameters are not expected to simulate accurately diverse thermophysical properties over a wide range of conditions, it was recently shown that effective parameters obtained from pure self-diffusion coefficients can accurately model mutual diffusion in ideal, liquid mixtures. In this work, similar simulations are used to model diffusion in nonideal mixtures. The same combining rules used in the previous study for the cross-interaction parameters were found to be adequate to represent the composition dependence of D 12. The effect of alkane chain length on D 12 is also correctly predicted by the simulations. A commonly used assumption in empirical correlations of D 12, that its kinetic portion is a simple, compositional average of the intradiffusion coefficients, is inconsistent with the simulation results. In fact, the value of the kinetic portion of D 12 was often outside the range of values bracketed by the two intradiffusion coefficients for the nonideal system modeled here.

  19. Stochastic locality and master-field simulations of very large lattices

    NASA Astrophysics Data System (ADS)

    Lüscher, Martin

    2018-03-01

    In lattice QCD and other field theories with a mass gap, the field variables in distant regions of a physically large lattice are only weakly correlated. Accurate stochastic estimates of the expectation values of local observables may therefore be obtained from a single representative field. Such master-field simulations potentially allow very large lattices to be simulated, but require various conceptual and technical issues to be addressed. In this talk, an introduction to the subject is provided and some encouraging results of master-field simulations of the SU(3) gauge theory are reported.

  20. Ca-Pri a Cellular Automata Phenomenological Research Investigation: Simulation Results

    NASA Astrophysics Data System (ADS)

    Iannone, G.; Troisi, A.

    2013-05-01

    Following the introduction of a phenomenological cellular automata (CA) model capable to reproduce city growth and urban sprawl, we develop a toy model simulation considering a realistic framework. The main characteristic of our approach is an evolution algorithm based on inhabitants preferences. The control of grown cells is obtained by means of suitable functions which depend on the initial condition of the simulation. New born urban settlements are achieved by means of a logistic evolution of the urban pattern while urban sprawl is controlled by means of the population evolution function. In order to compare model results with a realistic urban framework we have considered, as the area of study, the island of Capri (Italy) in the Mediterranean Sea. Two different phases of the urban evolution on the island have been taken into account: a new born initial growth as induced by geographic suitability and the simulation of urban spread after 1943 induced by the population evolution after this date.

  1. Control of joint motion simulators for biomechanical research

    NASA Technical Reports Server (NTRS)

    Colbaugh, R.; Glass, K.

    1992-01-01

    The authors present a hierarchical adaptive algorithm for controlling upper extremity human joint motion simulators. A joint motion simulator is a computer-controlled, electromechanical system which permits the application of forces to the tendons of a human cadaver specimen in such a way that the cadaver joint under study achieves a desired motion in a physiologic manner. The proposed control scheme does not require knowledge of the cadaver specimen dynamic model, and solves on-line the indeterminate problem which arises because human joints typically possess more actuators than degrees of freedom. Computer simulation results are given for an elbow/forearm system and wrist/hand system under hierarchical control. The results demonstrate that any desired normal joint motion can be accurately tracked with the proposed algorithm. These simulation results indicate that the controller resolved the indeterminate problem redundancy in a physiologic manner, and show that the control scheme was robust to parameter uncertainty and to sensor noise.

  2. How sleep problems contribute to simulator sickness: Preliminary results from a realistic driving scenario.

    PubMed

    Altena, Ellemarije; Daviaux, Yannick; Sanz-Arigita, Ernesto; Bonhomme, Emilien; de Sevin, Étienne; Micoulaud-Franchi, Jean-Arthur; Bioulac, Stéphanie; Philip, Pierre

    2018-04-17

    Virtual reality and simulation tools enable us to assess daytime functioning in environments that simulate real life as close as possible. Simulator sickness, however, poses a problem in the application of these tools, and has been related to pre-existing health problems. How sleep problems contribute to simulator sickness has not yet been investigated. In the current study, 20 female chronic insomnia patients and 32 female age-matched controls drove in a driving simulator covering realistic city, country and highway scenes. Fifty percent of the insomnia patients as opposed to 12.5% of controls reported excessive simulator sickness leading to experiment withdrawal. In the remaining participants, patients with insomnia showed overall increased levels of oculomotor symptoms even before driving, while nausea symptoms further increased after driving. These results, as well as the realistic simulation paradigm developed, give more insight on how vestibular and oculomotor functions as well as interoceptive functions are affected in insomnia. Importantly, our results have direct implications for both the actual driving experience and the wider context of deploying simulation techniques to mimic real life functioning, in particular in those professions often exposed to sleep problems. © 2018 European Sleep Research Society.

  3. Toward robust estimation of the components of forest population change: simulation results

    Treesearch

    Francis A. Roesch

    2014-01-01

    This report presents the full simulation results of the work described in Roesch (2014), in which multiple levels of simulation were used to test the robustness of estimators for the components of forest change. In that study, a variety of spatial-temporal populations were created based on, but more variable than, an actual forest monitoring dataset, and then those...

  4. Implementation of unsteady sampling procedures for the parallel direct simulation Monte Carlo method

    NASA Astrophysics Data System (ADS)

    Cave, H. M.; Tseng, K.-C.; Wu, J.-S.; Jermy, M. C.; Huang, J.-C.; Krumdieck, S. P.

    2008-06-01

    An unsteady sampling routine for a general parallel direct simulation Monte Carlo method called PDSC is introduced, allowing the simulation of time-dependent flow problems in the near continuum range. A post-processing procedure called DSMC rapid ensemble averaging method (DREAM) is developed to improve the statistical scatter in the results while minimising both memory and simulation time. This method builds an ensemble average of repeated runs over small number of sampling intervals prior to the sampling point of interest by restarting the flow using either a Maxwellian distribution based on macroscopic properties for near equilibrium flows (DREAM-I) or output instantaneous particle data obtained by the original unsteady sampling of PDSC for strongly non-equilibrium flows (DREAM-II). The method is validated by simulating shock tube flow and the development of simple Couette flow. Unsteady PDSC is found to accurately predict the flow field in both cases with significantly reduced run-times over single processor code and DREAM greatly reduces the statistical scatter in the results while maintaining accurate particle velocity distributions. Simulations are then conducted of two applications involving the interaction of shocks over wedges. The results of these simulations are compared to experimental data and simulations from the literature where there these are available. In general, it was found that 10 ensembled runs of DREAM processing could reduce the statistical uncertainty in the raw PDSC data by 2.5-3.3 times, based on the limited number of cases in the present study.

  5. Bayesian parameter estimation of a k-ε model for accurate jet-in-crossflow simulations

    DOE PAGES

    Ray, Jaideep; Lefantzi, Sophia; Arunajatesan, Srinivasan; ...

    2016-05-31

    Reynolds-averaged Navier–Stokes models are not very accurate for high-Reynolds-number compressible jet-in-crossflow interactions. The inaccuracy arises from the use of inappropriate model parameters and model-form errors in the Reynolds-averaged Navier–Stokes model. In this study, the hypothesis is pursued that Reynolds-averaged Navier–Stokes predictions can be significantly improved by using parameters inferred from experimental measurements of a supersonic jet interacting with a transonic crossflow.

  6. Capabilities of current wildfire models when simulating topographical flow

    NASA Astrophysics Data System (ADS)

    Kochanski, A.; Jenkins, M.; Krueger, S. K.; McDermott, R.; Mell, W.

    2009-12-01

    Accurate predictions of the growth, spread and suppression of wild fires rely heavily on the correct prediction of the local wind conditions and the interactions between the fire and the local ambient airflow. Resolving local flows, often strongly affected by topographical features like hills, canyons and ridges, is a prerequisite for accurate simulation and prediction of fire behaviors. In this study, we present the results of high-resolution numerical simulations of the flow over a smooth hill, performed using (1) the NIST WFDS (WUI or Wildland-Urban-Interface version of the FDS or Fire Dynamic Simulator), and (2) the LES version of the NCAR Weather Research and Forecasting (WRF-LES) model. The WFDS model is in the initial stages of development for application to wind flow and fire spread over complex terrain. The focus of the talk is to assess how well simple topographical flow is represented by WRF-LES and the current version of WFDS. If sufficient progress has been made prior to the meeting then the importance of the discrepancies between the predicted and measured winds, in terms of simulated fire behavior, will be examined.

  7. Spectra of Full 3-D PIC Simulations of Finite Meteor Trails

    NASA Astrophysics Data System (ADS)

    Tarnecki, L. K.; Oppenheim, M. M.

    2016-12-01

    Radars detect plasma trails created by the billions of small meteors that impact the Earth's atmosphere daily, returning data used to infer characteristics of the meteoroid population and upper atmosphere. Researchers use models to investigate the dynamic evolution of the trails. Previously, all models assumed a trail of infinite length, due to the constraints of simulation techniques. We present the first simulations of 3D meteor trails of finite length. This change more accurately captures the physics of the trails. We characterize the turbulence that develops as the trail evolves and study the effects of varying the external electric field, altitude, and initial density. The simulations show that turbulence develops in all cases, and that trails travel with the neutral wind rather than electric field. Our results will allow us to draw more detailed and accurate information from non-specular radar observations of meteors.

  8. Large eddy simulation modeling of particle-laden flows in complex terrain

    NASA Astrophysics Data System (ADS)

    Salesky, S.; Giometto, M. G.; Chamecki, M.; Lehning, M.; Parlange, M. B.

    2017-12-01

    The transport, deposition, and erosion of heavy particles over complex terrain in the atmospheric boundary layer is an important process for hydrology, air quality forecasting, biology, and geomorphology. However, in situ observations can be challenging in complex terrain due to spatial heterogeneity. Furthermore, there is a need to develop numerical tools that can accurately represent the physics of these multiphase flows over complex surfaces. We present a new numerical approach to accurately model the transport and deposition of heavy particles in complex terrain using large eddy simulation (LES). Particle transport is represented through solution of the advection-diffusion equation including terms that represent gravitational settling and inertia. The particle conservation equation is discretized in a cut-cell finite volume framework in order to accurately enforce mass conservation. Simulation results will be validated with experimental data, and numerical considerations required to enforce boundary conditions at the surface will be discussed. Applications will be presented in the context of snow deposition and transport, as well as urban dispersion.

  9. Accuracy of buffered-force QM/MM simulations of silica

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Peguiron, Anke; Moras, Gianpietro; Colombi Ciacchi, Lucio

    2015-02-14

    We report comparisons between energy-based quantum mechanics/molecular mechanics (QM/MM) and buffered force-based QM/MM simulations in silica. Local quantities—such as density of states, charges, forces, and geometries—calculated with both QM/MM approaches are compared to the results of full QM simulations. We find the length scale over which forces computed using a finite QM region converge to reference values obtained in full quantum-mechanical calculations is ∼10 Å rather than the ∼5 Å previously reported for covalent materials such as silicon. Electrostatic embedding of the QM region in the surrounding classical point charges gives only a minor contribution to the force convergence. Whilemore » the energy-based approach provides accurate results in geometry optimizations of point defects, we find that the removal of large force errors at the QM/MM boundary provided by the buffered force-based scheme is necessary for accurate constrained geometry optimizations where Si–O bonds are elongated and for finite-temperature molecular dynamics simulations of crack propagation. Moreover, the buffered approach allows for more flexibility, since special-purpose QM/MM coupling terms that link QM and MM atoms are not required and the region that is treated at the QM level can be adaptively redefined during the course of a dynamical simulation.« less

  10. Forward modeling to investigate inversion artifacts resulting from time-lapse electrical resistivity tomography during rainfall simulations

    NASA Astrophysics Data System (ADS)

    Carey, Austin M.; Paige, Ginger B.; Carr, Bradley J.; Dogan, Mine

    2017-10-01

    Time-lapse electrical resistivity tomography (ERT) is commonly used as a minimally invasive tool to study infiltration processes. In 2014, we conducted field studies coupling variable intensity rainfall simulation with high-resolution ERT to study the real-time partitioning of rainfall into surface and subsurface response. The significant contrast in resistivity in the subsurface from large changes in subsurface moisture resulted in artifacts during the inversion process of the time-lapse ERT data collected using a dipole-dipole electrode array. These artifacts, which are not representative of real subsurface moisture dynamics, have been shown to arise during time-lapse inversion of ERT data and may be subject to misinterpretation. Forward modeling of the infiltration process post field experiments using a two-layer system (saprolite overlain by a soil layer) was used to generate synthetic datasets. The synthetic data were used to investigate the influence of both changes in volumetric moisture content and electrode configuration on the development of the artifacts identified in the field datasets. For the dipole-dipole array, we found that a decrease in the resistivity of the bottom layer by 67% resulted in a 50% reduction in artifact development. Artifacts for the seven additional array configurations tested, ranged from a 19% increase in artifact development (using an extended dipole-dipole array) to as much as a 96% decrease in artifact development (using a wenner-alpha array), compared to that of the dipole-dipole array. Moreover, these arrays varied in their ability to accurately delineate the infiltration front. Model results showed that the modified pole-dipole array was able to accurately image the infiltration zone and presented fewer artifacts for our experiments. In this study, we identify an optimal array type for imaging rainfall-infiltration dynamics that reduces artifacts. The influence of moisture contrast between the infiltrating water and the

  11. Using high hydraulic conductivity nodes to simulate seepage lakes

    USGS Publications Warehouse

    Anderson, Mary P.; Hunt, Randall J.; Krohelski, James T.; Chung, Kuopo

    2002-01-01

    In a typical ground water flow model, lakes are represented by specified head nodes requiring that lake levels be known a priori. To remove this limitation, previous researchers assigned high hydraulic conductivity (K) values to nodes that represent a lake, under the assumption that the simulated head at the nodes in the high-K zone accurately reflects lake level. The solution should also produce a constant water level across the lake. We developed a model of a simple hypothetical ground water/lake system to test whether solutions using high-K lake nodes are sensitive to the value of K selected to represent the lake. Results show that the larger the contrast between the K of the aquifer and the K of the lake nodes, the smaller the error tolerance required for the solution to converge. For our test problem, a contrast of three orders of magnitude produced a head difference across the lake of 0.005 m under a regional gradient of the order of 10−3 m/m, while a contrast of four orders of magnitude produced a head difference of 0.001 m. The high-K method was then used to simulate lake levels in Pretty Lake, Wisconsin. Results for both the hypothetical system and the application to Pretty Lake compared favorably with results using a lake package developed for MODFLOW (Merritt and Konikow 2000). While our results demonstrate that the high-K method accurately simulates lake levels, this method has more cumbersome postprocessing and longer run times than the same problem simulated using the lake package.

  12. The level of detail required in a deformable phantom to accurately perform quality assurance of deformable image registration

    NASA Astrophysics Data System (ADS)

    Saenz, Daniel L.; Kim, Hojin; Chen, Josephine; Stathakis, Sotirios; Kirby, Neil

    2016-09-01

    The primary purpose of the study was to determine how detailed deformable image registration (DIR) phantoms need to adequately simulate human anatomy and accurately assess the quality of DIR algorithms. In particular, how many distinct tissues are required in a phantom to simulate complex human anatomy? Pelvis and head-and-neck patient CT images were used for this study as virtual phantoms. Two data sets from each site were analyzed. The virtual phantoms were warped to create two pairs consisting of undeformed and deformed images. Otsu’s method was employed to create additional segmented image pairs of n distinct soft tissue CT number ranges (fat, muscle, etc). A realistic noise image was added to each image. Deformations were applied in MIM Software (MIM) and Velocity deformable multi-pass (DMP) and compared with the known warping. Images with more simulated tissue levels exhibit more contrast, enabling more accurate results. Deformation error (magnitude of the vector difference between known and predicted deformation) was used as a metric to evaluate how many CT number gray levels are needed for a phantom to serve as a realistic patient proxy. Stabilization of the mean deformation error was reached by three soft tissue levels for Velocity DMP and MIM, though MIM exhibited a persisting difference in accuracy between the discrete images and the unprocessed image pair. A minimum detail of three levels allows a realistic patient proxy for use with Velocity and MIM deformation algorithms.

  13. Do doctors accurately assess coronary risk in their patients? Preliminary results of the coronary health assessment study.

    PubMed Central

    Grover, S. A.; Lowensteyn, I.; Esrey, K. L.; Steinert, Y.; Joseph, L.; Abrahamowicz, M.

    1995-01-01

    OBJECTIVE--To evaluate the ability of doctors in primary care to assess risk patients' risk of coronary heart disease. DESIGN--Questionnaire survey. SETTING--Continuing medical education meetings, Ontario and Quebec, Canada. SUBJECTS--Community based doctors who agreed to enroll in the coronary health assessment study. MAIN OUTCOME MEASURE--Ratings of coronary risk factors and estimates by doctors of relative and absolute coronary risk of two hypothetical patients and the "average" 40 year old Canadian man and 70 year old Canadian woman. RESULTS--253 doctors answered the questionnaire. For 30 year olds the doctors rated cigarette smoking as the most important risk factor and raised serum triglyceride concentrations as the least important; for 70 year old patients they rated diabetes as the most important risk factor and raised serum triglyceride concentrations as the least important. They rated each individual risk factor as significantly less important for 70 year olds than for 30 year olds (all risk factors, P < 0.001). They showed a strong understanding of the relative importance of specific risk factors, and most were confident in their ability to estimate coronary risk. While doctors accurately estimated the relative risk of a specific patient (compared with the average adult) they systematically overestimated the absolute baseline risk of developing coronary disease and the risk reductions associated with specific interventions. CONCLUSIONS--Despite guidelines on targeting patients at high risk of coronary disease accurate assessment of coronary risk remains difficult for many doctors. Additional strategies must be developed to help doctors to assess better their patients' coronary risk. PMID:7728035

  14. Juneau Airport Doppler Lidar Deployment: Extraction of Accurate Turbulent Wind Statistics

    NASA Technical Reports Server (NTRS)

    Hannon, Stephen M.; Frehlich, Rod; Cornman, Larry; Goodrich, Robert; Norris, Douglas; Williams, John

    1999-01-01

    A 2 micrometer pulsed Doppler lidar was deployed to the Juneau Airport in 1998 to measure turbulence and wind shear in and around the departure and arrival corridors. The primary objective of the measurement program was to demonstrate and evaluate the capability of a pulsed coherent lidar to remotely and unambiguously measure wind turbulence. Lidar measurements were coordinated with flights of an instrumented research aircraft operated by representatives of the University of North Dakota (UND) under the direction of the National Center for Atmospheric Research (NCAR). The data collected is expected to aid both turbulence characterization as well as airborne turbulence detection algorithm development activities within NASA and the FAA. This paper presents a summary of the deployment and results of analysis and simulation which address important issues regarding the measurement requirements for accurate turbulent wind statistics extraction.

  15. i3Drive, a 3D interactive driving simulator.

    PubMed

    Ambroz, Miha; Prebil, Ivan

    2010-01-01

    i3Drive, a wheeled-vehicle simulator, can accurately simulate vehicles of various configurations with up to eight wheels in real time on a desktop PC. It presents the vehicle dynamics as an interactive animation in a virtual 3D environment. The application is fully GUI-controlled, giving users an easy overview of the simulation parameters and letting them adjust those parameters interactively. It models all relevant vehicle systems, including the mechanical models of the suspension, power train, and braking and steering systems. The simulation results generally correspond well with actual measurements, making the system useful for studying vehicle performance in various driving scenarios. i3Drive is thus a worthy complement to other, more complex tools for vehicle-dynamics simulation and analysis.

  16. Long-range speckle imaging theory, simulation, and brassboard results

    NASA Astrophysics Data System (ADS)

    Riker, Jim F.; Tyler, Glenn A.; Vaughn, Jeff L.

    2017-09-01

    In the SPIE 2016 Unconventional Imaging session, the authors laid out a breakthrough new theory for active array imaging that exploits the speckle return to generate a high-resolution picture of the target. Since then, we have pursued that theory even in long-range (<1000-km) engagement scenarios and shown how we can obtain that high-resolution image of the target using only a few illuminators, or by using many illuminators. There is a trade of illuminators versus receivers, but many combinations provide the same synthetic aperture resolution. We will discuss that trade, along with the corresponding radiometric and speckle-imaging Signal-to-Noise Ratios (SNR) for geometries that can fit on relatively small aircraft, such as an Unmanned Aerial Vehicle (UAV). Furthermore, we have simulated the performance of the technique, and we have created a laboratory version of the approach that is able to obtain high-resolution speckle imagery. The principal results presented in this paper are the Signal to Noise Ratios (SNR) for both the radiometric and the speckle imaging portions of the problem, and the simulated results obtained for representative arrays.

  17. A methodological approach to a realistic evaluation of skin absorbed doses during manipulation of radioactive sources by means of GAMOS Monte Carlo simulations

    NASA Astrophysics Data System (ADS)

    Italiano, Antonio; Amato, Ernesto; Auditore, Lucrezia; Baldari, Sergio

    2018-05-01

    The accurate evaluation of the radiation burden associated with radiation absorbed doses to the skin of the extremities during the manipulation of radioactive sources is a critical issue in operational radiological protection, deserving the most accurate calculation approaches available. Monte Carlo simulation of the radiation transport and interaction is the gold standard for the calculation of dose distributions in complex geometries and in presence of extended spectra of multi-radiation sources. We propose the use of Monte Carlo simulations in GAMOS, in order to accurately estimate the dose to the extremities during manipulation of radioactive sources. We report the results of these simulations for 90Y, 131I, 18F and 111In nuclides in water solutions enclosed in glass or plastic receptacles, such as vials or syringes. Skin equivalent doses at 70 μm of depth and dose-depth profiles are reported for different configurations, highlighting the importance of adopting a realistic geometrical configuration in order to get accurate dosimetric estimations. Due to the easiness of implementation of GAMOS simulations, case-specific geometries and nuclides can be adopted and results can be obtained in less than about ten minutes of computation time with a common workstation.

  18. Planck 2015 results: XII. Full focal plane simulations

    DOE PAGES

    Ade, P. A. R.; Aghanim, N.; Arnaud, M.; ...

    2016-09-20

    In this paper, we present the 8th full focal plane simulation set (FFP8), deployed in support of the Planck 2015 results. FFP8 consists of 10 fiducial mission realizations reduced to 18 144 maps, together with the most massive suite of Monte Carlo realizations of instrument noise and CMB ever generated, comprising 10 4 mission realizations reduced to about 10 6 maps. The resulting maps incorporate the dominant instrumental, scanning, and data analysis effects, and the remaining subdominant effects will be included in future updates. Finally, generated at a cost of some 25 million CPU-hours spread across multiple high-performance-computing (HPC) platforms,more » FFP8 is used to validate and verify analysis algorithms and their implementations, and to remove biases from and quantify uncertainties in the results of analyses of the real data.« less

  19. Nonexposure Accurate Location K-Anonymity Algorithm in LBS

    PubMed Central

    2014-01-01

    This paper tackles location privacy protection in current location-based services (LBS) where mobile users have to report their exact location information to an LBS provider in order to obtain their desired services. Location cloaking has been proposed and well studied to protect user privacy. It blurs the user's accurate coordinate and replaces it with a well-shaped cloaked region. However, to obtain such an anonymous spatial region (ASR), nearly all existent cloaking algorithms require knowing the accurate locations of all users. Therefore, location cloaking without exposing the user's accurate location to any party is urgently needed. In this paper, we present such two nonexposure accurate location cloaking algorithms. They are designed for K-anonymity, and cloaking is performed based on the identifications (IDs) of the grid areas which were reported by all the users, instead of directly on their accurate coordinates. Experimental results show that our algorithms are more secure than the existent cloaking algorithms, need not have all the users reporting their locations all the time, and can generate smaller ASR. PMID:24605060

  20. High Order Schemes in Bats-R-US for Faster and More Accurate Predictions

    NASA Astrophysics Data System (ADS)

    Chen, Y.; Toth, G.; Gombosi, T. I.

    2014-12-01

    BATS-R-US is a widely used global magnetohydrodynamics model that originally employed second order accurate TVD schemes combined with block based Adaptive Mesh Refinement (AMR) to achieve high resolution in the regions of interest. In the last years we have implemented fifth order accurate finite difference schemes CWENO5 and MP5 for uniform Cartesian grids. Now the high order schemes have been extended to generalized coordinates, including spherical grids and also to the non-uniform AMR grids including dynamic regridding. We present numerical tests that verify the preservation of free-stream solution and high-order accuracy as well as robust oscillation-free behavior near discontinuities. We apply the new high order accurate schemes to both heliospheric and magnetospheric simulations and show that it is robust and can achieve the same accuracy as the second order scheme with much less computational resources. This is especially important for space weather prediction that requires faster than real time code execution.

  1. High Fidelity Thermal Simulators for Non-Nuclear Testing: Analysis and Initial Results

    NASA Technical Reports Server (NTRS)

    Bragg-Sitton, Shannon M.; Dickens, Ricky; Dixon, David

    2007-01-01

    Non-nuclear testing can be a valuable tool in the development of a space nuclear power system, providing system characterization data and allowing one to work through various fabrication, assembly and integration issues without the cost and time associated with a full ground nuclear test. In a non-nuclear test bed, electric heaters are used to simulate the heat from nuclear fuel. Testing with non-optimized heater elements allows one to assess thermal, heat transfer, and stress related attributes of a given system, but fails to demonstrate the dynamic response that would be present in an integrated, fueled reactor system. High fidelity thermal simulators that match both the static and the dynamic fuel pin performance that would be observed in an operating, fueled nuclear reactor can vastly increase the value of non-nuclear test results. With optimized simulators, the integration of thermal hydraulic hardware tests with simulated neutronie response provides a bridge between electrically heated testing and fueled nuclear testing, providing a better assessment of system integration issues, characterization of integrated system response times and response characteristics, and assessment of potential design improvements' at a relatively small fiscal investment. Initial conceptual thermal simulator designs are determined by simple one-dimensional analysis at a single axial location and at steady state conditions; feasible concepts are then input into a detailed three-dimensional model for comparison to expected fuel pin performance. Static and dynamic fuel pin performance for a proposed reactor design is determined using SINDA/FLUINT thermal analysis software, and comparison is made between the expected nuclear performance and the performance of conceptual thermal simulator designs. Through a series of iterative analyses, a conceptual high fidelity design can developed. Test results presented in this paper correspond to a "first cut" simulator design for a potential

  2. RFI in hybrid loops - Simulation and experimental results.

    NASA Technical Reports Server (NTRS)

    Ziemer, R. E.; Nelson, D. R.; Raghavan, H. R.

    1972-01-01

    A digital simulation of an imperfect second-order hybrid phase-locked loop (HPLL) operating in radio frequency interference (RFI) is described. Its performance is characterized in terms of phase error variance and phase error probability density function (PDF). Monte-Carlo simulation is used to show that the HPLL can be superior to the conventional phase-locked loops in RFI backgrounds when minimum phase error variance is the goodness criterion. Similar experimentally obtained data are given in support of the simulation data.

  3. Accurate simulation of geometry, singlet-singlet and triplet-singlet excitation of cyclometalated iridium(III) complex.

    PubMed

    Wang, Jian; Bai, Fu-Quan; Xia, Bao-Hui; Zhang, Hong-Xing; Cui, Tian

    2014-03-01

    In the current contribution, we present a critical study of the theoretical protocol used for the determination of the electronic spectra properties of luminescent cyclometalated iridium(III) complex, [Ir(III)(ppy)₂H₂dcbpy]⁺ (where, ppy = 2-phenylpyridine, H₂dcbpy = 2,2'-bipyridine-4,4'-dicarboxylic acid), considered as a representative example of the various problems related to the prediction of electronic spectra of transition metal complex. The choice of the exchange-correlation functional is crucial for the validity of the conclusions that would be drawn from the numerical results. The influence of the exchange-correlation on geometry parameter and absorption/emission band, the role of solvent effects on time-dependent density function theory (TD-DFT) calculations, as well as the importance of the chosen proper procedure to optimize triplet excited geometry, have been thus examined in detail. From the obtained results, some general conclusions and guidelines are presented: i) PBE0 functional is the most accurate in prediction of ground state geometry; ii) the well-established B3LYP, B3P86, PBE0, and X3LYP have similar accuracy in calculation of absorption spectrum; and iii) the hybrid approach TD-DFT//CIS gives out excellent agreement in the evaluation of triplet excitation energy.

  4. Towards an accurate representation of electrostatics in classical force fields: Efficient implementation of multipolar interactions in biomolecular simulations

    NASA Astrophysics Data System (ADS)

    Sagui, Celeste; Pedersen, Lee G.; Darden, Thomas A.

    2004-01-01

    The accurate simulation of biologically active macromolecules faces serious limitations that originate in the treatment of electrostatics in the empirical force fields. The current use of "partial charges" is a significant source of errors, since these vary widely with different conformations. By contrast, the molecular electrostatic potential (MEP) obtained through the use of a distributed multipole moment description, has been shown to converge to the quantum MEP outside the van der Waals surface, when higher order multipoles are used. However, in spite of the considerable improvement to the representation of the electronic cloud, higher order multipoles are not part of current classical biomolecular force fields due to the excessive computational cost. In this paper we present an efficient formalism for the treatment of higher order multipoles in Cartesian tensor formalism. The Ewald "direct sum" is evaluated through a McMurchie-Davidson formalism [L. McMurchie and E. Davidson, J. Comput. Phys. 26, 218 (1978)]. The "reciprocal sum" has been implemented in three different ways: using an Ewald scheme, a particle mesh Ewald (PME) method, and a multigrid-based approach. We find that even though the use of the McMurchie-Davidson formalism considerably reduces the cost of the calculation with respect to the standard matrix implementation of multipole interactions, the calculation in direct space remains expensive. When most of the calculation is moved to reciprocal space via the PME method, the cost of a calculation where all multipolar interactions (up to hexadecapole-hexadecapole) are included is only about 8.5 times more expensive than a regular AMBER 7 [D. A. Pearlman et al., Comput. Phys. Commun. 91, 1 (1995)] implementation with only charge-charge interactions. The multigrid implementation is slower but shows very promising results for parallelization. It provides a natural way to interface with continuous, Gaussian-based electrostatics in the future. It is

  5. Near-field diffraction from amplitude diffraction gratings: theory, simulation and results

    NASA Astrophysics Data System (ADS)

    Abedin, Kazi Monowar; Rahman, S. M. Mujibur

    2017-08-01

    We describe a computer simulation method by which the complete near-field diffract pattern of an amplitude diffraction grating can be generated. The technique uses the method of iterative Fresnel integrals to calculate and generate the diffraction images. Theoretical background as well as the techniques to perform the simulation is described. The program is written in MATLAB, and can be implemented in any ordinary PC. Examples of simulated diffraction images are presented and discussed. The generated images in the far-field where they reduce to Fraunhofer diffraction pattern are also presented for a realistic grating, and compared with the results predicted by the grating equation, which is applicable in the far-field. The method can be used as a tool to teach the complex phenomenon of diffraction in classrooms.

  6. Fast and accurate quantum molecular dynamics of dense plasmas across temperature regimes

    DOE PAGES

    Sjostrom, Travis; Daligault, Jerome

    2014-10-10

    Here, we develop and implement a new quantum molecular dynamics approximation that allows fast and accurate simulations of dense plasmas from cold to hot conditions. The method is based on a carefully designed orbital-free implementation of density functional theory. The results for hydrogen and aluminum are in very good agreement with Kohn-Sham (orbital-based) density functional theory and path integral Monte Carlo calculations for microscopic features such as the electron density as well as the equation of state. The present approach does not scale with temperature and hence extends to higher temperatures than is accessible in the Kohn-Sham method and lowermore » temperatures than is accessible by path integral Monte Carlo calculations, while being significantly less computationally expensive than either of those two methods.« less

  7. Procedure for Adapting Direct Simulation Monte Carlo Meshes

    NASA Technical Reports Server (NTRS)

    Woronowicz, Michael S.; Wilmoth, Richard G.; Carlson, Ann B.; Rault, Didier F. G.

    1992-01-01

    A technique is presented for adapting computational meshes used in the G2 version of the direct simulation Monte Carlo method. The physical ideas underlying the technique are discussed, and adaptation formulas are developed for use on solutions generated from an initial mesh. The effect of statistical scatter on adaptation is addressed, and results demonstrate the ability of this technique to achieve more accurate results without increasing necessary computational resources.

  8. Assessing the accuracy of improved force-matched water models derived from Ab initio molecular dynamics simulations.

    PubMed

    Köster, Andreas; Spura, Thomas; Rutkai, Gábor; Kessler, Jan; Wiebeler, Hendrik; Vrabec, Jadran; Kühne, Thomas D

    2016-07-15

    The accuracy of water models derived from ab initio molecular dynamics simulations by means on an improved force-matching scheme is assessed for various thermodynamic, transport, and structural properties. It is found that although the resulting force-matched water models are typically less accurate than fully empirical force fields in predicting thermodynamic properties, they are nevertheless much more accurate than generally appreciated in reproducing the structure of liquid water and in fact superseding most of the commonly used empirical water models. This development demonstrates the feasibility to routinely parametrize computationally efficient yet predictive potential energy functions based on accurate ab initio molecular dynamics simulations for a large variety of different systems. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  9. Real-time, haptics-enabled simulator for probing ex vivo liver tissue.

    PubMed

    Lister, Kevin; Gao, Zhan; Desai, Jaydev P

    2009-01-01

    The advent of complex surgical procedures has driven the need for realistic surgical training simulators. Comprehensive simulators that provide realistic visual and haptic feedback during surgical tasks are required to familiarize surgeons with the procedures they are to perform. Complex organ geometry inherent to biological tissues and intricate material properties drive the need for finite element methods to assure accurate tissue displacement and force calculations. Advances in real-time finite element methods have not reached the state where they are applicable to soft tissue surgical simulation. Therefore a real-time, haptics-enabled simulator for probing of soft tissue has been developed which utilizes preprocessed finite element data (derived from accurate constitutive model of the soft-tissue obtained from carefully collected experimental data) to accurately replicate the probing task in real-time.

  10. Simulation studies for the evaluation of health information technologies: experiences and results.

    PubMed

    Ammenwerth, Elske; Hackl, Werner O; Binzer, Kristine; Christoffersen, Tue E H; Jensen, Sanne; Lawton, Kitta; Skjoet, Peter; Nohr, Christian

    It is essential for new health information technologies (IT) to undergo rigorous evaluations to ensure they are effective and safe for use in real-world situations. However, evaluation of new health IT is challenging, as field studies are often not feasible when the technology being evaluated is not sufficiently mature. Laboratory-based evaluations have also been shown to have insufficient external validity. Simulation studies seem to be a way to bridge this gap. The aim of this study was to evaluate, using a simulation methodology, the impact of a new prototype of an electronic medication management system on the appropriateness of prescriptions and drug-related activities, including laboratory test ordering or medication changes. This article presents the results of a controlled simulation study with 50 simulation runs, including ten doctors and five simulation patients, and discusses experiences and lessons learnt while conducting the study. Although the new electronic medication management system showed tendencies to improve medication safety when compared with the standard system, this tendency was not significant. Altogether, five distinct situations were identified where the new medication management system did help to improve medication safety. This simulation study provided a good compromise between internal validity and external validity. However, several challenges need to be addressed when undertaking simulation evaluations including: preparation of adequate test cases; training of participants before using unfamiliar applications; consideration of time, effort and costs of conducting the simulation; technical maturity of the evaluated system; and allowing adequate preparation of simulation scenarios and simulation setting. Simulation studies are an interesting but time-consuming approach, which can be used to evaluate newly developed health IT systems, particularly those systems that are not yet sufficiently mature to undergo field evaluation studies.

  11. Thermal airborne multispectral aster simulator and its preliminary results

    NASA Astrophysics Data System (ADS)

    Mills, F.; Kannari, Y.; Watanabe, H.; Sano, M.; Chang, S. H.

    1994-03-01

    An Airborne ASTER Simulator (AAS) is being developed for the Japan Resources Observation System Organization (JAROS) by the Geophysical Environmental Research (GER) Corporation. The first test flights of the AAS were over Cuprite, Nevada; Long Valley, California; and Death Valley, California, in December 1991. Preliminary laboratory tests at NASA's Stennis Space Center (SSC) were completed in April 1992. The results of the these tests indicate the AAS can discriminate between silicate and non-silicate rocks. The improvements planned for the next two years may give a spectral Full-Width at Half-Maximum (FWHM) of 0.3 μm and NEΔT of 0.2 - 0.5°K. The AAS has the potential to become a good tool for airborne TIR research and can be used for simulations of future satellite-borne TIR sensors. Flight tests over Cuprite, Nevada, and Castaic Lake, California, are planned for October-December 1992.

  12. Phase II modification of the Water Availability Tool for Environmental Resources (WATER) for Kentucky: The sinkhole-drainage process, point-and-click basin delineation, and results of karst test-basin simulations

    USGS Publications Warehouse

    Taylor, Charles J.; Williamson, Tanja N.; Newson, Jeremy K.; Ulery, Randy L.; Nelson, Hugh L.; Cinotto, Peter J.

    2012-01-01

    This report describes Phase II modifications made to the Water Availability Tool for Environmental Resources (WATER), which applies the process-based TOPMODEL approach to simulate or predict stream discharge in surface basins in the Commonwealth of Kentucky. The previous (Phase I) version of WATER did not provide a means of identifying sinkhole catchments or accounting for the effects of karst (internal) drainage in a TOPMODEL-simulated basin. In the Phase II version of WATER, sinkhole catchments are automatically identified and delineated as internally drained subbasins, and a modified TOPMODEL approach (called the sinkhole drainage process, or SDP-TOPMODEL) is applied that calculates mean daily discharges for the basin based on summed area-weighted contributions from sinkhole drain-age (SD) areas and non-karstic topographically drained (TD) areas. Results obtained using the SDP-TOPMODEL approach were evaluated for 12 karst test basins located in each of the major karst terrains in Kentucky. Visual comparison of simulated hydrographs and flow-duration curves, along with statistical measures applied to the simulated discharge data (bias, correlation, root mean square error, and Nash-Sutcliffe efficiency coefficients), indicate that the SDPOPMODEL approach provides acceptably accurate estimates of discharge for most flow conditions and typically provides more accurate simulation of stream discharge in karstic basins compared to the standard TOPMODEL approach. Additional programming modifications made to the Phase II version of WATER included implementation of a point-and-click graphical user interface (GUI), which fully automates the delineation of simulation-basin boundaries and improves the speed of input-data processing. The Phase II version of WATER enables the user to select a pour point anywhere on a stream reach of interest, and the program will automatically delineate all upstream areas that contribute drainage to that point. This capability enables

  13. A new approach to compute accurate velocity of meteors

    NASA Astrophysics Data System (ADS)

    Egal, Auriane; Gural, Peter; Vaubaillon, Jeremie; Colas, Francois; Thuillot, William

    2016-10-01

    The CABERNET project was designed to push the limits of meteoroid orbit measurements by improving the determination of the meteors' velocities. Indeed, despite of the development of the cameras networks dedicated to the observation of meteors, there is still an important discrepancy between the measured orbits of meteoroids computed and the theoretical results. The gap between the observed and theoretic semi-major axis of the orbits is especially significant; an accurate determination of the orbits of meteoroids therefore largely depends on the computation of the pre-atmospheric velocities. It is then imperative to dig out how to increase the precision of the measurements of the velocity.In this work, we perform an analysis of different methods currently used to compute the velocities and trajectories of the meteors. They are based on the intersecting planes method developed by Ceplecha (1987), the least squares method of Borovicka (1990), and the multi-parameter fitting (MPF) method published by Gural (2012).In order to objectively compare the performances of these techniques, we have simulated realistic meteors ('fakeors') reproducing the different error measurements of many cameras networks. Some fakeors are built following the propagation models studied by Gural (2012), and others created by numerical integrations using the Borovicka et al. 2007 model. Different optimization techniques have also been investigated in order to pick the most suitable one to solve the MPF, and the influence of the geometry of the trajectory on the result is also presented.We will present here the results of an improved implementation of the multi-parameter fitting that allow an accurate orbit computation of meteors with CABERNET. The comparison of different velocities computation seems to show that if the MPF is by far the best method to solve the trajectory and the velocity of a meteor, the ill-conditioning of the costs functions used can lead to large estimate errors for noisy

  14. Validation of Multibody Program to Optimize Simulated Trajectories II Parachute Simulation with Interacting Forces

    NASA Technical Reports Server (NTRS)

    Raiszadeh, Behzad; Queen, Eric M.; Hotchko, Nathaniel J.

    2009-01-01

    A capability to simulate trajectories of multiple interacting rigid bodies has been developed, tested and validated. This capability uses the Program to Optimize Simulated Trajectories II (POST 2). The standard version of POST 2 allows trajectory simulation of multiple bodies without force interaction. In the current implementation, the force interaction between the parachute and the suspended bodies has been modeled using flexible lines, allowing accurate trajectory simulation of the individual bodies in flight. The POST 2 multibody capability is intended to be general purpose and applicable to any parachute entry trajectory simulation. This research paper explains the motivation for multibody parachute simulation, discusses implementation methods, and presents validation of this capability.

  15. Numerically accurate computational techniques for optimal estimator analyses of multi-parameter models

    NASA Astrophysics Data System (ADS)

    Berger, Lukas; Kleinheinz, Konstantin; Attili, Antonio; Bisetti, Fabrizio; Pitsch, Heinz; Mueller, Michael E.

    2018-05-01

    Modelling unclosed terms in partial differential equations typically involves two steps: First, a set of known quantities needs to be specified as input parameters for a model, and second, a specific functional form needs to be defined to model the unclosed terms by the input parameters. Both steps involve a certain modelling error, with the former known as the irreducible error and the latter referred to as the functional error. Typically, only the total modelling error, which is the sum of functional and irreducible error, is assessed, but the concept of the optimal estimator enables the separate analysis of the total and the irreducible errors, yielding a systematic modelling error decomposition. In this work, attention is paid to the techniques themselves required for the practical computation of irreducible errors. Typically, histograms are used for optimal estimator analyses, but this technique is found to add a non-negligible spurious contribution to the irreducible error if models with multiple input parameters are assessed. Thus, the error decomposition of an optimal estimator analysis becomes inaccurate, and misleading conclusions concerning modelling errors may be drawn. In this work, numerically accurate techniques for optimal estimator analyses are identified and a suitable evaluation of irreducible errors is presented. Four different computational techniques are considered: a histogram technique, artificial neural networks, multivariate adaptive regression splines, and an additive model based on a kernel method. For multiple input parameter models, only artificial neural networks and multivariate adaptive regression splines are found to yield satisfactorily accurate results. Beyond a certain number of input parameters, the assessment of models in an optimal estimator analysis even becomes practically infeasible if histograms are used. The optimal estimator analysis in this paper is applied to modelling the filtered soot intermittency in large eddy

  16. Improving stamping simulation accuracy by accounting for realistic friction and lubrication conditions: Application to the door-outer of the Mercedes-Benz C-class Coupé

    NASA Astrophysics Data System (ADS)

    Hol, J.; Wiebenga, J. H.; Stock, J.; Wied, J.; Wiegand, K.; Carleer, B.

    2016-08-01

    In the stamping of automotive parts, friction and lubrication play a key role in achieving high quality products. In the development process of new automotive parts, it is therefore crucial to accurately account for these effects in sheet metal forming simulations. Only then, one can obtain reliable and realistic simulation results that correspond to the actual try-out and mass production conditions. In this work, the TriboForm software is used to accurately account for tribology-, friction-, and lubrication conditions in stamping simulations. The enhanced stamping simulations are applied and validated for the door-outer of the Mercedes- Benz C-Class Coupe. The project results demonstrate the improved prediction accuracy of stamping simulations with respect to both part quality and actual stamping process conditions.

  17. A Comparison of Classical Force-Fields for Molecular Dynamics Simulations of Lubricants

    PubMed Central

    Ewen, James P.; Gattinoni, Chiara; Thakkar, Foram M.; Morgan, Neal; Spikes, Hugh A.; Dini, Daniele

    2016-01-01

    For the successful development and application of lubricants, a full understanding of their complex nanoscale behavior under a wide range of external conditions is required, but this is difficult to obtain experimentally. Nonequilibrium molecular dynamics (NEMD) simulations can be used to yield unique insights into the atomic-scale structure and friction of lubricants and additives; however, the accuracy of the results depend on the chosen force-field. In this study, we demonstrate that the use of an accurate, all-atom force-field is critical in order to; (i) accurately predict important properties of long-chain, linear molecules; and (ii) reproduce experimental friction behavior of multi-component tribological systems. In particular, we focus on n-hexadecane, an important model lubricant with a wide range of industrial applications. Moreover, simulating conditions common in tribological systems, i.e., high temperatures and pressures (HTHP), allows the limits of the selected force-fields to be tested. In the first section, a large number of united-atom and all-atom force-fields are benchmarked in terms of their density and viscosity prediction accuracy of n-hexadecane using equilibrium molecular dynamics (EMD) simulations at ambient and HTHP conditions. Whilst united-atom force-fields accurately reproduce experimental density, the viscosity is significantly under-predicted compared to all-atom force-fields and experiments. Moreover, some all-atom force-fields yield elevated melting points, leading to significant overestimation of both the density and viscosity. In the second section, the most accurate united-atom and all-atom force-field are compared in confined NEMD simulations which probe the structure and friction of stearic acid adsorbed on iron oxide and separated by a thin layer of n-hexadecane. The united-atom force-field provides an accurate representation of the structure of the confined stearic acid film; however, friction coefficients are consistently

  18. A Comparison of Classical Force-Fields for Molecular Dynamics Simulations of Lubricants.

    PubMed

    Ewen, James P; Gattinoni, Chiara; Thakkar, Foram M; Morgan, Neal; Spikes, Hugh A; Dini, Daniele

    2016-08-02

    For the successful development and application of lubricants, a full understanding of their complex nanoscale behavior under a wide range of external conditions is required, but this is difficult to obtain experimentally. Nonequilibrium molecular dynamics (NEMD) simulations can be used to yield unique insights into the atomic-scale structure and friction of lubricants and additives; however, the accuracy of the results depend on the chosen force-field. In this study, we demonstrate that the use of an accurate, all-atom force-field is critical in order to; (i) accurately predict important properties of long-chain, linear molecules; and (ii) reproduce experimental friction behavior of multi-component tribological systems. In particular, we focus on n -hexadecane, an important model lubricant with a wide range of industrial applications. Moreover, simulating conditions common in tribological systems, i.e., high temperatures and pressures (HTHP), allows the limits of the selected force-fields to be tested. In the first section, a large number of united-atom and all-atom force-fields are benchmarked in terms of their density and viscosity prediction accuracy of n -hexadecane using equilibrium molecular dynamics (EMD) simulations at ambient and HTHP conditions. Whilst united-atom force-fields accurately reproduce experimental density, the viscosity is significantly under-predicted compared to all-atom force-fields and experiments. Moreover, some all-atom force-fields yield elevated melting points, leading to significant overestimation of both the density and viscosity. In the second section, the most accurate united-atom and all-atom force-field are compared in confined NEMD simulations which probe the structure and friction of stearic acid adsorbed on iron oxide and separated by a thin layer of n -hexadecane. The united-atom force-field provides an accurate representation of the structure of the confined stearic acid film; however, friction coefficients are consistently

  19. Do we need 3D tube current modulation information for accurate organ dosimetry in chest CT? Protocols dose comparisons.

    PubMed

    Lopez-Rendon, Xochitl; Zhang, Guozhi; Coudyzer, Walter; Develter, Wim; Bosmans, Hilde; Zanca, Federica

    2017-11-01

    To compare the lung and breast dose associated with three chest protocols: standard, organ-based tube current modulation (OBTCM) and fast-speed scanning; and to estimate the error associated with organ dose when modelling the longitudinal (z-) TCM versus the 3D-TCM in Monte Carlo simulations (MC) for these three protocols. Five adult and three paediatric cadavers with different BMI were scanned. The CTDI vol of the OBTCM and the fast-speed protocols were matched to the patient-specific CTDI vol of the standard protocol. Lung and breast doses were estimated using MC with both z- and 3D-TCM simulated and compared between protocols. The fast-speed scanning protocol delivered the highest doses. A slight reduction for breast dose (up to 5.1%) was observed for two of the three female cadavers with the OBTCM in comparison to the standard. For both adult and paediatric, the implementation of the z-TCM data only for organ dose estimation resulted in 10.0% accuracy for the standard and fast-speed protocols, while relative dose differences were up to 15.3% for the OBTCM protocol. At identical CTDI vol values, the standard protocol delivered the lowest overall doses. Only for the OBTCM protocol is the 3D-TCM needed if an accurate (<10.0%) organ dosimetry is desired. • The z-TCM information is sufficient for accurate dosimetry for standard protocols. • The z-TCM information is sufficient for accurate dosimetry for fast-speed scanning protocols. • For organ-based TCM schemes, the 3D-TCM information is necessary for accurate dosimetry. • At identical CTDI vol , the fast-speed scanning protocol delivered the highest doses. • Lung dose was higher in XCare than standard protocol at identical CTDI vol .

  20. An experimental method for the assessment of color simulation tools.

    PubMed

    Lillo, Julio; Alvaro, Leticia; Moreira, Humberto

    2014-07-22

    The Simulcheck method for evaluating the accuracy of color simulation tools in relation to dichromats is described and used to test three color simulation tools: Variantor, Coblis, and Vischeck. A total of 10 dichromats (five protanopes, five deuteranopes) and 10 normal trichromats participated in the current study. Simulcheck includes two psychophysical tasks: the Pseudoachromatic Stimuli Identification task and the Minimum Achromatic Contrast task. The Pseudoachromatic Stimuli Identification task allows determination of the two chromatic angles (h(uv) values) that generate a minimum response in the yellow–blue opponent mechanism and, consequently, pseudoachromatic stimuli (greens or reds). The Minimum Achromatic Contrast task requires the selection of the gray background that produces minimum contrast (near zero change in the achromatic mechanism) for each pseudoachromatic stimulus selected in the previous task (L(R) values). Results showed important differences in the colorimetric transformations performed by the three evaluated simulation tools and their accuracy levels. Vischeck simulation accurately implemented the algorithm of Brettel, Viénot, and Mollon (1997). Only Vischeck appeared accurate (similarity in huv and L(R) values between real and simulated dichromats) and, consequently, could render reliable color selections. It is concluded that Simulcheck is a consistent method because it provided an equivalent pattern of results for huv and L(R) values irrespective of the stimulus set used to evaluate a simulation tool. Simulcheck was also considered valid because real dichromats provided expected huv and LR values when performing the two psychophysical tasks included in this method. © 2014 ARVO.

  1. Development and operation of a real-time simulation at the NASA Ames Vertical Motion Simulator

    NASA Technical Reports Server (NTRS)

    Sweeney, Christopher; Sheppard, Shirin; Chetelat, Monique

    1993-01-01

    The Vertical Motion Simulator (VMS) facility at the NASA Ames Research Center combines the largest vertical motion capability in the world with a flexible real-time operating system allowing research to be conducted quickly and effectively. Due to the diverse nature of the aircraft simulated and the large number of simulations conducted annually, the challenge for the simulation engineer is to develop an accurate real-time simulation in a timely, efficient manner. The SimLab facility and the software tools necessary for an operating simulation will be discussed. Subsequent sections will describe the development process through operation of the simulation; this includes acceptance of the model, validation, integration and production phases.

  2. CORRECTING FOR INTERSTELLAR SCATTERING DELAY IN HIGH-PRECISION PULSAR TIMING: SIMULATION RESULTS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Palliyaguru, Nipuni; McLaughlin, Maura; Stinebring, Daniel

    2015-12-20

    Light travel time changes due to gravitational waves (GWs) may be detected within the next decade through precision timing of millisecond pulsars. Removal of frequency-dependent interstellar medium (ISM) delays due to dispersion and scattering is a key issue in the detection process. Current timing algorithms routinely correct pulse times of arrival (TOAs) for time-variable delays due to cold plasma dispersion. However, none of the major pulsar timing groups correct for delays due to scattering from multi-path propagation in the ISM. Scattering introduces a frequency-dependent phase change in the signal that results in pulse broadening and arrival time delays. Any methodmore » to correct the TOA for interstellar propagation effects must be based on multi-frequency measurements that can effectively separate dispersion and scattering delay terms from frequency-independent perturbations such as those due to a GW. Cyclic spectroscopy, first described in an astronomical context by Demorest (2011), is a potentially powerful tool to assist in this multi-frequency decomposition. As a step toward a more comprehensive ISM propagation delay correction, we demonstrate through a simulation that we can accurately recover impulse response functions (IRFs), such as those that would be introduced by multi-path scattering, with a realistic signal-to-noise ratio (S/N). We demonstrate that timing precision is improved when scatter-corrected TOAs are used, under the assumptions of a high S/N and highly scattered signal. We also show that the effect of pulse-to-pulse “jitter” is not a serious problem for IRF reconstruction, at least for jitter levels comparable to those observed in several bright pulsars.« less

  3. Multiscale Methods for Accurate, Efficient, and Scale-Aware Models of the Earth System

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Goldhaber, Steve; Holland, Marika

    The major goal of this project was to contribute improvements to the infrastructure of an Earth System Model in order to support research in the Multiscale Methods for Accurate, Efficient, and Scale-Aware models of the Earth System project. In support of this, the NCAR team accomplished two main tasks: improving input/output performance of the model and improving atmospheric model simulation quality. Improvement of the performance and scalability of data input and diagnostic output within the model required a new infrastructure which can efficiently handle the unstructured grids common in multiscale simulations. This allows for a more computationally efficient model, enablingmore » more years of Earth System simulation. The quality of the model simulations was improved by reducing grid-point noise in the spectral element version of the Community Atmosphere Model (CAM-SE). This was achieved by running the physics of the model using grid-cell data on a finite-volume grid.« less

  4. Cyclone Simulation via Action Minimization

    NASA Astrophysics Data System (ADS)

    Plotkin, D. A.; Weare, J.; Abbot, D. S.

    2016-12-01

    A postulated impact of climate change is an increase in intensity of tropical cyclones (TCs). This hypothesized effect results from the fact that TCs are powered subsaturated boundary layer air picking up water vapor from the surface ocean as it flows inwards towards the eye. This water vapor serves as the energy input for TCs, which can be idealized as heat engines. The inflowing air has a nearly identical temperature as the surface ocean; therefore, warming of the surface leads to a warmer atmospheric boundary layer. By the Clausius-Clapeyron relationship, warmer boundary layer air can hold more water vapor and thus results in more energetic storms. Changes in TC intensity are difficult to predict due to the presence of fine structures (e.g. convective structures and rainbands) with length scales of less than 1 km, while general circulation models (GCMs) generally have horizontal resolutions of tens of kilometers. The models are therefore unable to capture these features, which are critical to accurately simulating cyclone structure and intensity. Further, strong TCs are rare events, meaning that long multi-decadal simulations are necessary to generate meaningful statistics about intense TC activity. This adds to the computational expense, making it yet more difficult to generate accurate statistics about long-term changes in TC intensity due to global warming via direct simulation. We take an alternative approach, applying action minimization techniques developed in molecular dynamics to the WRF weather/climate model. We construct artificial model trajectories that lead from quiescent (TC-free) states to TC states, then minimize the deviation of these trajectories from true model dynamics. We can thus create Monte Carlo model ensembles that are biased towards cyclogenesis, which reduces computational expense by limiting time spent in non-TC states. This allows for: 1) selective interrogation of model states with TCs; 2) finding the likeliest paths for

  5. Validation of a Monte Carlo simulation of the Inveon PET scanner using GATE

    NASA Astrophysics Data System (ADS)

    Lu, Lijun; Zhang, Houjin; Bian, Zhaoying; Ma, Jianhua; Feng, Qiangjin; Chen, Wufan

    2016-08-01

    The purpose of this study is to validate the application of GATE (Geant4 Application for Tomographic Emission) Monte Carlo simulation toolkit in order to model the performance characteristics of Siemens Inveon small animal PET system. The simulation results were validated against experimental/published data in accordance with the NEMA NU-4 2008 protocol for standardized evaluation of spatial resolution, sensitivity, scatter fraction (SF) and noise equivalent counting rate (NECR) of a preclinical PET system. An agreement of less than 18% was obtained between the radial, tangential and axial spatial resolutions of the simulated and experimental results. The simulated peak NECR of mouse-size phantom agreed with the experimental result, while for the rat-size phantom simulated value was higher than experimental result. The simulated and experimental SFs of mouse- and rat- size phantom both reached an agreement of less than 2%. It has been shown the feasibility of our GATE model to accurately simulate, within certain limits, all major performance characteristics of Inveon PET system.

  6. Rapid and accurate species tree estimation for phylogeographic investigations using replicated subsampling.

    PubMed

    Hird, Sarah; Kubatko, Laura; Carstens, Bryan

    2010-11-01

    We describe a method for estimating species trees that relies on replicated subsampling of large data matrices. One application of this method is phylogeographic research, which has long depended on large datasets that sample intensively from the geographic range of the focal species; these datasets allow systematicists to identify cryptic diversity and understand how contemporary and historical landscape forces influence genetic diversity. However, analyzing any large dataset can be computationally difficult, particularly when newly developed methods for species tree estimation are used. Here we explore the use of replicated subsampling, a potential solution to the problem posed by large datasets, with both a simulation study and an empirical analysis. In the simulations, we sample different numbers of alleles and loci, estimate species trees using STEM, and compare the estimated to the actual species tree. Our results indicate that subsampling three alleles per species for eight loci nearly always results in an accurate species tree topology, even in cases where the species tree was characterized by extremely rapid divergence. Even more modest subsampling effort, for example one allele per species and two loci, was more likely than not (>50%) to identify the correct species tree topology, indicating that in nearly all cases, computing the majority-rule consensus tree from replicated subsampling provides a good estimate of topology. These results were supported by estimating the correct species tree topology and reasonable branch lengths for an empirical 10-locus great ape dataset. Copyright © 2010 Elsevier Inc. All rights reserved.

  7. Insar Unwrapping Error Correction Based on Quasi-Accurate Detection of Gross Errors (quad)

    NASA Astrophysics Data System (ADS)

    Kang, Y.; Zhao, C. Y.; Zhang, Q.; Yang, C. S.

    2018-04-01

    Unwrapping error is a common error in the InSAR processing, which will seriously degrade the accuracy of the monitoring results. Based on a gross error correction method, Quasi-accurate detection (QUAD), the method for unwrapping errors automatic correction is established in this paper. This method identifies and corrects the unwrapping errors by establishing a functional model between the true errors and interferograms. The basic principle and processing steps are presented. Then this method is compared with the L1-norm method with simulated data. Results show that both methods can effectively suppress the unwrapping error when the ratio of the unwrapping errors is low, and the two methods can complement each other when the ratio of the unwrapping errors is relatively high. At last the real SAR data is tested for the phase unwrapping error correction. Results show that this new method can correct the phase unwrapping errors successfully in the practical application.

  8. [Numerical simulation of the effect of virtual stent release pose on the expansion results].

    PubMed

    Li, Jing; Peng, Kun; Cui, Xinyang; Fu, Wenyu; Qiao, Aike

    2018-04-01

    The current finite element analysis of vascular stent expansion does not take into account the effect of the stent release pose on the expansion results. In this study, stent and vessel model were established by Pro/E. Five kinds of finite element assembly models were constructed by ABAQUS, including 0 degree without eccentricity model, 3 degree without eccentricity model, 5 degree without eccentricity model, 0 degree axial eccentricity model and 0 degree radial eccentricity model. These models were divided into two groups of experiments for numerical simulation with respect to angle and eccentricity. The mechanical parameters such as foreshortening rate, radial recoil rate and dog boning rate were calculated. The influence of angle and eccentricity on the numerical simulation was obtained by comparative analysis. Calculation results showed that the residual stenosis rates were 38.3%, 38.4%, 38.4%, 35.7% and 38.2% respectively for the 5 models. The results indicate that the pose has less effect on the numerical simulation results so that it can be neglected when the accuracy of the result is not highly required, and the basic model as 0 degree without eccentricity model is feasible for numerical simulation.

  9. [3D Virtual Reality Laparoscopic Simulation in Surgical Education - Results of a Pilot Study].

    PubMed

    Kneist, W; Huber, T; Paschold, M; Lang, H

    2016-06-01

    The use of three-dimensional imaging in laparoscopy is a growing issue and has led to 3D systems in laparoscopic simulation. Studies on box trainers have shown differing results concerning the benefit of 3D imaging. There are currently no studies analysing 3D imaging in virtual reality laparoscopy (VRL). Five surgical fellows, 10 surgical residents and 29 undergraduate medical students performed abstract and procedural tasks on a VRL simulator using conventional 2D and 3D imaging in a randomised order. No significant differences between the two imaging systems were shown for students or medical professionals. Participants who preferred three-dimensional imaging showed significantly better results in 2D as wells as in 3D imaging. First results on three-dimensional imaging on box trainers showed different results. Some studies resulted in an advantage of 3D imaging for laparoscopic novices. This study did not confirm the superiority of 3D imaging over conventional 2D imaging in a VRL simulator. In the present study on 3D imaging on a VRL simulator there was no significant advantage for 3D imaging compared to conventional 2D imaging. Georg Thieme Verlag KG Stuttgart · New York.

  10. Development of a device to simulate tooth mobility.

    PubMed

    Erdelt, Kurt-Jürgen; Lamper, Timea

    2010-10-01

    The testing of new materials under simulation of oral conditions is essential in medicine. For simulation of fracture strength different simulation devices are used for test set-up. The results of these in vitro tests differ because there is no standardization of tooth mobility in simulation devices. The aim of this study is to develop a simulation device that depicts the tooth mobility curve as accurately as possible and creates reproducible and scalable mobility curves. With the aid of published literature and with the help of dentists, average forms of tooth classes were generated. Based on these tooth data, different abutment tooth shapes and different simulation devices were designed with a CAD system and were generated with a Rapid Prototyping system. Then, for all simulation devices the displacement curves were created with a universal testing machine and compared with the tooth mobility curve. With this new information, an improved adapted simulation device was constructed. A simulations device that is able to simulate the mobility curve of natural teeth with high accuracy and where mobility is reproducible and scalable was developed.

  11. Simulation of Inviscid Compressible Multi-Phase Flow with Condensation

    NASA Technical Reports Server (NTRS)

    Kelleners, Philip

    2003-01-01

    Condensation of vapours in rapid expansions of compressible gases is investigated. In the case of high temperature gradients the condensation will start at conditions well away from thermodynamic equilibrium of the fluid. In those cases homogeneous condensation is dominant over heterogeneous condensation. The present work is concerned with development of a simulation tool for computation of high speed compressible flows with homogeneous condensation. The resulting ow solver should preferably be accurate and robust to be used for simulation of industrial flows in general geometries.

  12. Simulation of transient effects in the heavy ion fusion injectors

    NASA Astrophysics Data System (ADS)

    Chen, Yu-Jiuan; Hewett, D. W.

    1993-05-01

    We have used the 2-D PIC code, GYMNOS, to study the transient behaviors in the Heavy Ion Fusion (HIF) injectors. GYMNOS simulations accurately provide the steady state Child-Langmuir current and the beam transient behavior within a planar diode. The simulations of the LBL HIF ESAC injector experiments agree well with the experimental data and EGUN steady state results. Simulations of the nominal HIF injectors have revealed the need to design the accelerating electrodes carefully to control the ion beam current, particularly the ion loss at the end of the bunch as the extraction voltage is reduced.

  13. Simulation and analysis of airborne antenna radiation patterns

    NASA Technical Reports Server (NTRS)

    Kim, J. J.; Burnside, Walter D.

    1984-01-01

    The objective is to develop an accurate and efficient analytic solution for predicting high frequency radiation patterns of fuselage-mounted airborne antennas. This is an analytic study of airborne antenna patterns using the Uniform Geometrical Theory of Diffraction (UTD). The aircraft is modeled in its most basic form so that the solution is applicable to general-type aircraft. The fuselage is modeled as a perfectly conducting composite ellipsoid; whereas, the wings, stabilizers, nose, fuel tanks, and engines, are simulated as perfectly conducting flat plates that can be attached to the fuselage and/or to each other. The composite-ellipsoid fuselage model is necessary to successfully simulate the wide variety of real world fuselage shapes. Since the antenna is mounted on the fuselage, it has a dominant effect on the resulting radiation pattern so it must be simulated accurately, especially near the antenna. Various radiation patterns are calculated for commercial, private, and military aircraft, and the Space Shuttle Orbiter. The application of this solution to numerous practical airborne antenna problems illustrates its versatility and design capability. In most cases, the solution accuracy is verified by the comparisons between the calculated and measured data.

  14. Accurate Finite Difference Algorithms

    NASA Technical Reports Server (NTRS)

    Goodrich, John W.

    1996-01-01

    Two families of finite difference algorithms for computational aeroacoustics are presented and compared. All of the algorithms are single step explicit methods, they have the same order of accuracy in both space and time, with examples up to eleventh order, and they have multidimensional extensions. One of the algorithm families has spectral like high resolution. Propagation with high order and high resolution algorithms can produce accurate results after O(10(exp 6)) periods of propagation with eight grid points per wavelength.

  15. Accurate quantum chemical calculations

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Taylor, Peter R.

    1989-01-01

    An important goal of quantum chemical calculations is to provide an understanding of chemical bonding and molecular electronic structure. A second goal, the prediction of energy differences to chemical accuracy, has been much harder to attain. First, the computational resources required to achieve such accuracy are very large, and second, it is not straightforward to demonstrate that an apparently accurate result, in terms of agreement with experiment, does not result from a cancellation of errors. Recent advances in electronic structure methodology, coupled with the power of vector supercomputers, have made it possible to solve a number of electronic structure problems exactly using the full configuration interaction (FCI) method within a subspace of the complete Hilbert space. These exact results can be used to benchmark approximate techniques that are applicable to a wider range of chemical and physical problems. The methodology of many-electron quantum chemistry is reviewed. Methods are considered in detail for performing FCI calculations. The application of FCI methods to several three-electron problems in molecular physics are discussed. A number of benchmark applications of FCI wave functions are described. Atomic basis sets and the development of improved methods for handling very large basis sets are discussed: these are then applied to a number of chemical and spectroscopic problems; to transition metals; and to problems involving potential energy surfaces. Although the experiences described give considerable grounds for optimism about the general ability to perform accurate calculations, there are several problems that have proved less tractable, at least with current computer resources, and these and possible solutions are discussed.

  16. Inferring mass in complex scenes by mental simulation.

    PubMed

    Hamrick, Jessica B; Battaglia, Peter W; Griffiths, Thomas L; Tenenbaum, Joshua B

    2016-12-01

    After observing a collision between two boxes, you can immediately tell which is empty and which is full of books based on how the boxes moved. People form rich perceptions about the physical properties of objects from their interactions, an ability that plays a crucial role in learning about the physical world through our experiences. Here, we present three experiments that demonstrate people's capacity to reason about the relative masses of objects in naturalistic 3D scenes. We find that people make accurate inferences, and that they continue to fine-tune their beliefs over time. To explain our results, we propose a cognitive model that combines Bayesian inference with approximate knowledge of Newtonian physics by estimating probabilities from noisy physical simulations. We find that this model accurately predicts judgments from our experiments, suggesting that the same simulation mechanism underlies both peoples' predictions and inferences about the physical world around them. Copyright © 2016 Elsevier B.V. All rights reserved.

  17. From single Debye-Hückel chains to polyelectrolyte solutions: Simulation results

    NASA Astrophysics Data System (ADS)

    Kremer, Kurt

    1996-03-01

    This lecture will present results from simulations of single weakly charged flexible chains, where the electrostatic part of the interaction is modeled by a Debye-Hückel potential,( with U. Micka, IFF, Forschungszentrum Jülich, 52425 Jülich, Germany) as well as simulations of polyelectrolyte solutions, where the counterions are explicitly taken into account( with M. J. Stevens, Sandia Nat. Lab., Albuquerque, NM 87185-1111) ( M. J. Stevens, K. Kremer, JCP 103), 1669 (1995). The first set of the simulations is meant to clear a recent contoversy on the dependency of the persistence length LP on the screening length Γ. While the analytic theories give Lp ~ Γ^x with either x=1 or x=2, the simulations find for all experimentally accessible chain lengths a varying exponent, which is significantly smaller than 1. This causes serious doubts on the applicability of this model for weakly charged polyelectrolytes in general. The second part deals with strongly charged flexible polyelectrolytes in salt free solution. These simulations are performed for multichain systems. The full Coulomb interactions of the monomers and counterions are treated explicitly. Experimental measurements of the osmotic pressure and the structure factor are reproduced and extended. The simulations reveal a new picture of the chain structure based on calculations of the structure factor, persistence length, end-to-end distance, etc. Even at very low density, the chains show significant bending. Furthermore, the chains contract significantly before they start to overlap. We also show that counterion condensation dramatically alters the chain structure, even for a good solvent backbone.

  18. General relativistic screening in cosmological simulations

    NASA Astrophysics Data System (ADS)

    Hahn, Oliver; Paranjape, Aseem

    2016-10-01

    We revisit the issue of interpreting the results of large volume cosmological simulations in the context of large-scale general relativistic effects. We look for simple modifications to the nonlinear evolution of the gravitational potential ψ that lead on large scales to the correct, fully relativistic description of density perturbations in the Newtonian gauge. We note that the relativistic constraint equation for ψ can be cast as a diffusion equation, with a diffusion length scale determined by the expansion of the Universe. Exploiting the weak time evolution of ψ in all regimes of interest, this equation can be further accurately approximated as a Helmholtz equation, with an effective relativistic "screening" scale ℓ related to the Hubble radius. We demonstrate that it is thus possible to carry out N-body simulations in the Newtonian gauge by replacing Poisson's equation with this Helmholtz equation, involving a trivial change in the Green's function kernel. Our results also motivate a simple, approximate (but very accurate) gauge transformation—δN(k )≈δsim(k )×(k2+ℓ-2)/k2 —to convert the density field δsim of standard collisionless N -body simulations (initialized in the comoving synchronous gauge) into the Newtonian gauge density δN at arbitrary times. A similar conversion can also be written in terms of particle positions. Our results can be interpreted in terms of a Jeans stability criterion induced by the expansion of the Universe. The appearance of the screening scale ℓ in the evolution of ψ , in particular, leads to a natural resolution of the "Jeans swindle" in the presence of superhorizon modes.

  19. Site Effect Analysis in the Izmit Basin of Turkey: Preliminary Results from the Wave Propagation Simulation using the Spectral Element Method

    NASA Astrophysics Data System (ADS)

    Firtana Elcomert, Karolin; Kocaoglu, Argun

    2014-05-01

    Sedimentary basins affect the propagation characteristics of the seismic waves and cause significant ground motion amplification during an earthquake. While the impedance contrast between the sedimentary layer and bedrock predominantly controls the resonance frequencies and their amplitudes (seismic amplification), surface waves generated within the basin, make the waveforms more complex and longer in duration. When a dense network of weak and/or strong motion sensors is available, site effect or more specifically sedimentary basin amplification can be directly estimated experimentally provided that significant earthquakes occur during the period of study. Alternatively, site effect can be investigated through simulation of ground motion. The objective of this study is to investigate the 2-D site effect in the Izmit Basin located in the eastern Marmara region of Turkey, using the currently available bedrock topography and shear-wave velocity data. The Izmit Basin was formed in Plio-Quaternary period and is known to be a pull-apart basin controlled by the northern branch of the North Anatolian Fault Zone (Şengör et al. 2005). A thorough analysis of seismic hazard is important since the city of Izmit and its metropolitan area is located in this region. Using a spectral element code, SPECFEM2D (Komatitsch et al. 1998), this work presents some of the preliminary results of the 2-D seismic wave propagation simulations for the Izmit basin. The spectral-element method allows accurate and efficient simulation of seismic wave propagation due to its advantages over the other numerical modeling techniques by means of representation of the wavefield and the computational mesh. The preliminary results of this study suggest that seismic wave propagation simulations give some insight into the site amplification phenomena in the Izmit basin. Comparison of seismograms recorded on the top of sedimentary layer with those recorded on the bedrock show more complex waveforms with

  20. Two-phase thermodynamic model for efficient and accurate absolute entropy of water from molecular dynamics simulations.

    PubMed

    Lin, Shiang-Tai; Maiti, Prabal K; Goddard, William A

    2010-06-24

    Presented here is the two-phase thermodynamic (2PT) model for the calculation of energy and entropy of molecular fluids from the trajectory of molecular dynamics (MD) simulations. In this method, the density of state (DoS) functions (including the normal modes of translation, rotation, and intramolecular vibration motions) are determined from the Fourier transform of the corresponding velocity autocorrelation functions. A fluidicity parameter (f), extracted from the thermodynamic state of the system derived from the same MD, is used to partition the translation and rotation modes into a diffusive, gas-like component (with 3Nf degrees of freedom) and a nondiffusive, solid-like component. The thermodynamic properties, including the absolute value of entropy, are then obtained by applying quantum statistics to the solid component and applying hard sphere/rigid rotor thermodynamics to the gas component. The 2PT method produces exact thermodynamic properties of the system in two limiting states: the nondiffusive solid state (where the fluidicity is zero) and the ideal gas state (where the fluidicity becomes unity). We examine the 2PT entropy for various water models (F3C, SPC, SPC/E, TIP3P, and TIP4P-Ew) at ambient conditions and find good agreement with literature results obtained based on other simulation techniques. We also validate the entropy of water in the liquid and vapor phases along the vapor-liquid equilibrium curve from the triple point to the critical point. We show that this method produces converged liquid phase entropy in tens of picoseconds, making it an efficient means for extracting thermodynamic properties from MD simulations.

  1. Simulation of SEU Cross-sections using MRED under Conditions of Limited Device Information

    NASA Technical Reports Server (NTRS)

    Lauenstein, J. M.; Reed, R. A.; Weller, R. A.; Mendenhall, M. H.; Warren, K. M.; Pellish, J. A.; Schrimpf, R. D.; Sierawski, B. D.; Massengill, L. W.; Dodd, P. E.; hide

    2007-01-01

    This viewgraph presentation reviews the simulation of Single Event Upset (SEU) cross sections using the membrane electrode assembly (MEA) resistance and electrode diffusion (MRED) tool using "Best guess" assumptions about the process and geometry, and direct ionization, low-energy beam test results. This work will also simulate SEU cross-sections including angular and high energy responses and compare the simulated results with beam test data for the validation of the model. Using MRED, we produced a reasonably accurate upset response model of a low-critical charge SRAM without detailed information about the circuit, device geometry, or fabrication process

  2. Polynomial Fitting of DT-MRI Fiber Tracts Allows Accurate Estimation of Muscle Architectural Parameters

    PubMed Central

    Damon, Bruce M.; Heemskerk, Anneriet M.; Ding, Zhaohua

    2012-01-01

    Fiber curvature is a functionally significant muscle structural property, but its estimation from diffusion-tensor MRI fiber tracking data may be confounded by noise. The purpose of this study was to investigate the use of polynomial fitting of fiber tracts for improving the accuracy and precision of fiber curvature (κ) measurements. Simulated image datasets were created in order to provide data with known values for κ and pennation angle (θ). Simulations were designed to test the effects of increasing inherent fiber curvature (3.8, 7.9, 11.8, and 15.3 m−1), signal-to-noise ratio (50, 75, 100, and 150), and voxel geometry (13.8 and 27.0 mm3 voxel volume with isotropic resolution; 13.5 mm3 volume with an aspect ratio of 4.0) on κ and θ measurements. In the originally reconstructed tracts, θ was estimated accurately under most curvature and all imaging conditions studied; however, the estimates of κ were imprecise and inaccurate. Fitting the tracts to 2nd order polynomial functions provided accurate and precise estimates of κ for all conditions except very high curvature (κ=15.3 m−1), while preserving the accuracy of the θ estimates. Similarly, polynomial fitting of in vivo fiber tracking data reduced the κ values of fitted tracts from those of unfitted tracts and did not change the θ values. Polynomial fitting of fiber tracts allows accurate estimation of physiologically reasonable values of κ, while preserving the accuracy of θ estimation. PMID:22503094

  3. Temporal Large-Eddy Simulation

    NASA Technical Reports Server (NTRS)

    Pruett, C. D.; Thomas, B. C.

    2004-01-01

    In 1999, Stolz and Adams unveiled a subgrid-scale model for LES based upon approximately inverting (defiltering) the spatial grid-filter operator and termed .the approximate deconvolution model (ADM). Subsequently, the utility and accuracy of the ADM were demonstrated in a posteriori analyses of flows as diverse as incompressible plane-channel flow and supersonic compression-ramp flow. In a prelude to the current paper, a parameterized temporal ADM (TADM) was developed and demonstrated in both a priori and a posteriori analyses for forced, viscous Burger's flow. The development of a time-filtered variant of the ADM was motivated-primarily by the desire for a unifying theoretical and computational context to encompass direct numerical simulation (DNS), large-eddy simulation (LES), and Reynolds averaged Navier-Stokes simulation (RANS). The resultant methodology was termed temporal LES (TLES). To permit exploration of the parameter space, however, previous analyses of the TADM were restricted to Burger's flow, and it has remained to demonstrate the TADM and TLES methodology for three-dimensional flow. For several reasons, plane-channel flow presents an ideal test case for the TADM. Among these reasons, channel flow is anisotropic, yet it lends itself to highly efficient and accurate spectral numerical methods. Moreover, channel-flow has been investigated extensively by DNS, and a highly accurate data base of Moser et.al. exists. In the present paper, we develop a fully anisotropic TADM model and demonstrate its utility in simulating incompressible plane-channel flow at nominal values of Re(sub tau) = 180 and Re(sub tau) = 590 by the TLES method. The TADM model is shown to perform nearly as well as the ADM at equivalent resolution, thereby establishing TLES as a viable alternative to LES. Moreover, as the current model is suboptimal is some respects, there is considerable room to improve TLES.

  4. Recent Results From MINERvA

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Patrick, Cheryl

    The MINERvA detector is situated in Fermilab's NuMI beam, which provides neutrinos and antineutrinos in the 1-20 GeV range. It is designed to make precision cross-section measurements for scattering processes on various nuclei. These proceedings summarize the differential cross-section distributions measured for several different processes. Comparison of these with various models hints at additional nuclear effects not included in common simulations. These results will help constrain generators' nuclear models and reduce systematic uncertainties on their predictions. An accurate cross-section model, with minimal uncertainties, is vital to oscillation experiments.

  5. HEBS and Binary 1-sinc masks simulations, HCIT experiments and results

    NASA Technical Reports Server (NTRS)

    Balasubramanian, Bala K.; Hoppe, Dan; Wilson, Dan; Echternach, Pierre; Trauger, John; Halverson, Peter; Niessner, Al; Shi, Fang; Lowman, Andrew

    2005-01-01

    Based on preliminary experiments and results with a binary 1-sinc mask in the HCIT early in August 2004, we planned for a detailed experiment to compare the performance of HEBS and Binary masks under nearly identical conditions in the HCIT. This report details the design and fabrication of the masks, simulated predictions, and experimental results.

  6. A new deadlock resolution protocol and message matching algorithm for the extreme-scale simulator

    DOE PAGES

    Engelmann, Christian; Naughton, III, Thomas J.

    2016-03-22

    Investigating the performance of parallel applications at scale on future high-performance computing (HPC) architectures and the performance impact of different HPC architecture choices is an important component of HPC hardware/software co-design. The Extreme-scale Simulator (xSim) is a simulation toolkit for investigating the performance of parallel applications at scale. xSim scales to millions of simulated Message Passing Interface (MPI) processes. The overhead introduced by a simulation tool is an important performance and productivity aspect. This paper documents two improvements to xSim: (1)~a new deadlock resolution protocol to reduce the parallel discrete event simulation overhead and (2)~a new simulated MPI message matchingmore » algorithm to reduce the oversubscription management overhead. The results clearly show a significant performance improvement. The simulation overhead for running the NAS Parallel Benchmark suite was reduced from 102% to 0% for the embarrassingly parallel (EP) benchmark and from 1,020% to 238% for the conjugate gradient (CG) benchmark. xSim offers a highly accurate simulation mode for better tracking of injected MPI process failures. Furthermore, with highly accurate simulation, the overhead was reduced from 3,332% to 204% for EP and from 37,511% to 13,808% for CG.« less

  7. Results of computer calculations for a simulated distribution of kidney cells

    NASA Technical Reports Server (NTRS)

    Micale, F. J.

    1985-01-01

    The results of computer calculations for a simulated distribution of kidney cells are given. The calculations were made for different values of electroosmotic flow, U sub o, and the ratio of sample diameter to channel diameter, R.

  8. Analysis procedures and subjective flight results of a simulator validation and cue fidelity experiment

    NASA Technical Reports Server (NTRS)

    Carr, Peter C.; Mckissick, Burnell T.

    1988-01-01

    A joint experiment to investigate simulator validation and cue fidelity was conducted by the Dryden Flight Research Facility of NASA Ames Research Center (Ames-Dryden) and NASA Langley Research Center. The primary objective was to validate the use of a closed-loop pilot-vehicle mathematical model as an analytical tool for optimizing the tradeoff between simulator fidelity requirements and simulator cost. The validation process includes comparing model predictions with simulation and flight test results to evaluate various hypotheses for differences in motion and visual cues and information transfer. A group of five pilots flew air-to-air tracking maneuvers in the Langley differential maneuvering simulator and visual motion simulator and in an F-14 aircraft at Ames-Dryden. The simulators used motion and visual cueing devices including a g-seat, a helmet loader, wide field-of-view horizon, and a motion base platform.

  9. Simulations and Experiments of Dynamic Granular Compaction in Non-ideal Geometries

    NASA Astrophysics Data System (ADS)

    Homel, Michael; Herbold, Eric; Lind, John; Crum, Ryan; Hurley, Ryan; Akin, Minta; Pagan, Darren; LLNL Team

    2017-06-01

    Accurately describing the dynamic compaction of granular materials is a persistent challenge in computational mechanics. Using a synchrotron x-ray source we have obtained detailed imaging of the evolving compaction front in synthetic olivine powder impacted at 300 - 600 m / s . To facilitate imaging, a non-traditional sample geometry is used, producing multiple load paths within the sample. We demonstrate that (i) commonly used models for porous compaction may produce inaccurate results for complex loading, even if the 1 - D , uniaxial-strain compaction response is reasonable, and (ii) the experimental results can be used along with simulations to determine parameters for sophisticated constitutive models that more accurately describe the strength, softening, bulking, and poroelastic response. Effects of experimental geometry and alternative configurations are discussed. Our understanding of the material response is further enhanced using mesoscale simulations that allow us to relate the mechanisms of grain fracture, contact, and comminution to the macroscale continuum response. Numerical considerations in both continuum and mesoscale simulations are described. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. LDRD#16-ERD-010. LLNL-ABS-725113.

  10. Simulating cosmologies beyond ΛCDM with PINOCCHIO

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Rizzo, Luca A.; Villaescusa-Navarro, Francisco; Monaco, Pierluigi

    2017-01-01

    We present a method that extends the capabilities of the PINpointing Orbit-Crossing Collapsed HIerarchical Objects (PINOCCHIO) code, allowing it to generate accurate dark matter halo mock catalogues in cosmological models where the linear growth factor and the growth rate depend on scale. Such cosmologies comprise, among others, models with massive neutrinos and some classes of modified gravity theories. We validate the code by comparing the halo properties from PINOCCHIO against N-body simulations, focusing on cosmologies with massive neutrinos: νΛCDM. We analyse the halo mass function, halo two-point correlation function and halo power spectrum, showing that PINOCCHIO reproduces the results frommore » simulations with the same level of precision as the original code (∼ 5–10%). We demonstrate that the abundance of halos in cosmologies with massless and massive neutrinos from PINOCCHIO matches very well the outcome of simulations, and point out that PINOCCHIO can reproduce the Ω{sub ν}–σ{sub 8} degeneracy that affects the halo mass function. We finally show that the clustering properties of the halos from PINOCCHIO matches accurately those from simulations both in real and redshift-space, in the latter case up to k = 0.3 h Mpc{sup −1}. We emphasize that the computational time required by PINOCCHIO to generate mock halo catalogues is orders of magnitude lower than the one needed for N-body simulations. This makes this tool ideal for applications like covariance matrix studies within the standard ΛCDM model but also in cosmologies with massive neutrinos or some modified gravity theories.« less

  11. Advancing Nucleosynthesis in Core-Collapse Supernovae Models Using 2D CHIMERA Simulations

    NASA Astrophysics Data System (ADS)

    Harris, J. A.; Hix, W. R.; Chertkow, M. A.; Bruenn, S. W.; Lentz, E. J.; Messer, O. B.; Mezzacappa, A.; Blondin, J. M.; Marronetti, P.; Yakunin, K.

    2014-01-01

    The deaths of massive stars as core-collapse supernovae (CCSN) serve as a crucial link in understanding galactic chemical evolution since the birth of the universe via the Big Bang. We investigate CCSN in polar axisymmetric simulations using the multidimensional radiation hydrodynamics code CHIMERA. Computational costs have traditionally constrained the evolution of the nuclear composition in CCSN models to, at best, a 14-species α-network. However, the limited capacity of the α-network to accurately evolve detailed composition, the neutronization and the nuclear energy generation rate has fettered the ability of prior CCSN simulations to accurately reproduce the chemical abundances and energy distributions as known from observations. These deficits can be partially ameliorated by "post-processing" with a more realistic network. Lagrangian tracer particles placed throughout the star record the temporal evolution of the initial simulation and enable the extension of the nuclear network evolution by incorporating larger systems in post-processing nucleosynthesis calculations. We present post-processing results of the four ab initio axisymmetric CCSN 2D models of Bruenn et al. (2013) evolved with the smaller α-network, and initiated from stellar metallicity, non-rotating progenitors of mass 12, 15, 20, and 25 M⊙ from Woosley & Heger (2007). As a test of the limitations of post-processing, we provide preliminary results from an ongoing simulation of the 15 M⊙ model evolved with a realistic 150 species nuclear reaction network in situ. With more accurate energy generation rates and an improved determination of the thermodynamic trajectories of the tracer particles, we can better unravel the complicated multidimensional "mass-cut" in CCSN simulations and probe for less energetically significant nuclear processes like the νp-process and the r-process, which require still larger networks.

  12. Testing the skill of numerical hydraulic modeling to simulate spatiotemporal flooding patterns in the Logone floodplain, Cameroon

    NASA Astrophysics Data System (ADS)

    Fernández, Alfonso; Najafi, Mohammad Reza; Durand, Michael; Mark, Bryan G.; Moritz, Mark; Jung, Hahn Chul; Neal, Jeffrey; Shastry, Apoorva; Laborde, Sarah; Phang, Sui Chian; Hamilton, Ian M.; Xiao, Ningchuan

    2016-08-01

    Recent innovations in hydraulic modeling have enabled global simulation of rivers, including simulation of their coupled wetlands and floodplains. Accurate simulations of floodplains using these approaches may imply tremendous advances in global hydrologic studies and in biogeochemical cycling. One such innovation is to explicitly treat sub-grid channels within two-dimensional models, given only remotely sensed data in areas with limited data availability. However, predicting inundated area in floodplains using a sub-grid model has not been rigorously validated. In this study, we applied the LISFLOOD-FP hydraulic model using a sub-grid channel parameterization to simulate inundation dynamics on the Logone River floodplain, in northern Cameroon, from 2001 to 2007. Our goal was to determine whether floodplain dynamics could be simulated with sufficient accuracy to understand human and natural contributions to current and future inundation patterns. Model inputs in this data-sparse region include in situ river discharge, satellite-derived rainfall, and the shuttle radar topography mission (SRTM) floodplain elevation. We found that the model accurately simulated total floodplain inundation, with a Pearson correlation coefficient greater than 0.9, and RMSE less than 700 km2, compared to peak inundation greater than 6000 km2. Predicted discharge downstream of the floodplain matched measurements (Nash-Sutcliffe efficiency of 0.81), and indicated that net flow from the channel to the floodplain was modeled accurately. However, the spatial pattern of inundation was not well simulated, apparently due to uncertainties in SRTM elevations. We evaluated model results at 250, 500 and 1000-m spatial resolutions, and found that results are insensitive to spatial resolution. We also compared the model output against results from a run of LISFLOOD-FP in which the sub-grid channel parameterization was disabled, finding that the sub-grid parameterization simulated more realistic

  13. A new coarse-grained model for E. coli cytoplasm: accurate calculation of the diffusion coefficient of proteins and observation of anomalous diffusion.

    PubMed

    Hasnain, Sabeeha; McClendon, Christopher L; Hsu, Monica T; Jacobson, Matthew P; Bandyopadhyay, Pradipta

    2014-01-01

    A new coarse-grained model of the E. coli cytoplasm is developed by describing the proteins of the cytoplasm as flexible units consisting of one or more spheres that follow Brownian dynamics (BD), with hydrodynamic interactions (HI) accounted for by a mean-field approach. Extensive BD simulations were performed to calculate the diffusion coefficients of three different proteins in the cellular environment. The results are in close agreement with experimental or previously simulated values, where available. Control simulations without HI showed that use of HI is essential to obtain accurate diffusion coefficients. Anomalous diffusion inside the crowded cellular medium was investigated with Fractional Brownian motion analysis, and found to be present in this model. By running a series of control simulations in which various forces were removed systematically, it was found that repulsive interactions (volume exclusion) are the main cause for anomalous diffusion, with a secondary contribution from HI.

  14. Parallel Simulation of Unsteady Turbulent Flames

    NASA Technical Reports Server (NTRS)

    Menon, Suresh

    1996-01-01

    Time-accurate simulation of turbulent flames in high Reynolds number flows is a challenging task since both fluid dynamics and combustion must be modeled accurately. To numerically simulate this phenomenon, very large computer resources (both time and memory) are required. Although current vector supercomputers are capable of providing adequate resources for simulations of this nature, the high cost and their limited availability, makes practical use of such machines less than satisfactory. At the same time, the explicit time integration algorithms used in unsteady flow simulations often possess a very high degree of parallelism, making them very amenable to efficient implementation on large-scale parallel computers. Under these circumstances, distributed memory parallel computers offer an excellent near-term solution for greatly increased computational speed and memory, at a cost that may render the unsteady simulations of the type discussed above more feasible and affordable.This paper discusses the study of unsteady turbulent flames using a simulation algorithm that is capable of retaining high parallel efficiency on distributed memory parallel architectures. Numerical studies are carried out using large-eddy simulation (LES). In LES, the scales larger than the grid are computed using a time- and space-accurate scheme, while the unresolved small scales are modeled using eddy viscosity based subgrid models. This is acceptable for the moment/energy closure since the small scales primarily provide a dissipative mechanism for the energy transferred from the large scales. However, for combustion to occur, the species must first undergo mixing at the small scales and then come into molecular contact. Therefore, global models cannot be used. Recently, a new model for turbulent combustion was developed, in which the combustion is modeled, within the subgrid (small-scales) using a methodology that simulates the mixing and the molecular transport and the chemical kinetics

  15. Marvel-ous Dwarfs: Results from Four Heroically Large Simulated Volumes of Dwarf Galaxies

    NASA Astrophysics Data System (ADS)

    Munshi, Ferah; Brooks, Alyson; Weisz, Daniel; Bellovary, Jillian; Christensen, Charlotte

    2018-01-01

    We present results from high resolution, fully cosmological simulations of cosmic sheets that contain many dwarf galaxies. Together, they create the largest collection of simulated dwarf galaxies to date, with z=0 stellar masses comparable to the LMC or smaller. In total, we have simulated almost 100 luminous dwarf galaxies, forming a sample of simulated dwarfs which span a wide range of physical (stellar and halo mass) and evolutionary properties (merger history). We show how they can be calibrated against a wealth of observations of nearby galaxies including star formation histories, HI masses and kinematics, as well as stellar metallicities. We present preliminary results answering the following key questions: What is the slope of the stellar mass function at extremely low masses? Do halos with HI and no stars exist? What is the scatter in the stellar to halo mass relationship as a function of dwarf mass? What drives the scatter? With this large suite, we are beginning to statistically characterize dwarf galaxies and identify the types and numbers of outliers to expect.

  16. Accurate reaction-diffusion operator splitting on tetrahedral meshes for parallel stochastic molecular simulations

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hepburn, I.; De Schutter, E., E-mail: erik@oist.jp; Theoretical Neurobiology & Neuroengineering, University of Antwerp, Antwerp 2610

    Spatial stochastic molecular simulations in biology are limited by the intense computation required to track molecules in space either in a discrete time or discrete space framework, which has led to the development of parallel methods that can take advantage of the power of modern supercomputers in recent years. We systematically test suggested components of stochastic reaction-diffusion operator splitting in the literature and discuss their effects on accuracy. We introduce an operator splitting implementation for irregular meshes that enhances accuracy with minimal performance cost. We test a range of models in small-scale MPI simulations from simple diffusion models to realisticmore » biological models and find that multi-dimensional geometry partitioning is an important consideration for optimum performance. We demonstrate performance gains of 1-3 orders of magnitude in the parallel implementation, with peak performance strongly dependent on model specification.« less

  17. Test of Shi et al. Method to Infer the Magnetic Reconnection Geometry from Spacecraft Data: MHD Simulation with Guide Field and Antiparallel Kinetic Simulation

    NASA Technical Reports Server (NTRS)

    Denton, R.; Sonnerup, B. U. O.; Swisdak, M.; Birn, J.; Drake, J. F.; Heese, M.

    2012-01-01

    When analyzing data from an array of spacecraft (such as Cluster or MMS) crossing a site of magnetic reconnection, it is desirable to be able to accurately determine the orientation of the reconnection site. If the reconnection is quasi-two dimensional, there are three key directions, the direction of maximum inhomogeneity (the direction across the reconnection site), the direction of the reconnecting component of the magnetic field, and the direction of rough invariance (the "out of plane" direction). Using simulated spacecraft observations of magnetic reconnection in the geomagnetic tail, we extend our previous tests of the direction-finding method developed by Shi et al. (2005) and the method to determine the structure velocity relative to the spacecraft Vstr. These methods require data from four proximate spacecraft. We add artificial noise and calibration errors to the simulation fields, and then use the perturbed gradient of the magnetic field B and perturbed time derivative dB/dt, as described by Denton et al. (2010). Three new simulations are examined: a weakly three-dimensional, i.e., quasi-two-dimensional, MHD simulation without a guide field, a quasi-two-dimensional MHD simulation with a guide field, and a two-dimensional full dynamics kinetic simulation with inherent noise so that the apparent minimum gradient was not exactly zero, even without added artificial errors. We also examined variations of the spacecraft trajectory for the kinetic simulation. The accuracy of the directions found varied depending on the simulation and spacecraft trajectory, but all the directions could be found within about 10 for all cases. Various aspects of the method were examined, including how to choose averaging intervals and the best intervals for determining the directions and velocity. For the kinetic simulation, we also investigated in detail how the errors in the inferred gradient directions from the unmodified Shi et al. method (using the unperturbed gradient

  18. Simulation of meso-damage of refractory based on cohesion model and molecular dynamics method

    NASA Astrophysics Data System (ADS)

    Zhao, Jiuling; Shang, Hehao; Zhu, Zhaojun; Zhang, Guoxing; Duan, Leiguang; Sun, Xinya

    2018-06-01

    In order to describe the meso-damage of the refractories more accurately, and to study of the relationship between the mesostructured of the refractories and the macro-mechanics, this paper takes the magnesia-carbon refractories as the research object and uses the molecular dynamics method to instead the traditional sequential algorithm to establish the meso-particles filling model including small and large particles. Finally, the finite element software-ABAQUS is used to conducts numerical simulation on the meso-damage evolution process of refractory materials. From the results, the process of initiation and propagation of microscopic interface cracks can be observed intuitively, and the macroscopic stress-strain curve of the refractory material is obtained. The results show that the combination of molecular dynamics modeling and the use of Python in the interface to insert the cohesive element numerical simulation, obtaining of more accurate interface parameters through parameter inversion, can be more accurate to observe the interface of the meso-damage evolution process and effective to consider the effect of the mesostructured of the refractory material on its macroscopic mechanical properties.

  19. Developments toward more accurate molecular modeling of liquids

    NASA Astrophysics Data System (ADS)

    Evans, Tom J.

    2000-12-01

    The general goal of this research has been to improve upon existing combined quantum mechanics/molecular mechanics (QM/MM) methodologies. Error weighting functions have been introduced into the perturbative Monte Carlo (PMC) method for use with QM/MM. The PMC approach, introduced earlier, provides a means to reduce the number of full self-consistent field (SCF) calculations in simulations using the QM/MM potential by evoking perturbation theory to calculate energy changes due to displacements of a MM molecule. This will allow the ab initio QM/MM approach to be applied to systems that require more advanced, computationally demanding treatments of the QM and/or MM regions. Efforts have also been made to improve the accuracy of the representation of the solvent molecules usually represented by MM force fields. Results from an investigation of the applicability of the embedded density functional theory (EDFT) for studying physical properties of solutions will be presented. In this approach, the solute wavefunction is solved self- consistently in the field of individually frozen electron-density solvent molecules. To test its accuracy, the potential curves for interactions between Li+, Cl- and H2O with a single frozen-density H 2O molecule in different orientations have been calculated. With the development of the more sophisticated effective fragment potential (EFP) representation of solvent molecules, a QM/EFP technique was created. This hybrid QM/EFP approach was used to investigate the solvation of Li + by small clusters of water, as a test case for larger ionic dusters. The EFP appears to provide an accurate representation of the strong interactions that exist between Li+ and H2O. With the QM/EFP methodology comes an increased computational expense, resulting in an even greater need to rely on the PMC approach. However, while including the PMC into the hybrid QM/EFP technique, it was discovered that the previous implementation of the PMC was done incorrectly

  20. A streamline splitting pore-network approach for computationally inexpensive and accurate simulation of transport in porous media

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Mehmani, Yashar; Oostrom, Martinus; Balhoff, Matthew

    2014-03-20

    Several approaches have been developed in the literature for solving flow and transport at the pore-scale. Some authors use a direct modeling approach where the fundamental flow and transport equations are solved on the actual pore-space geometry. Such direct modeling, while very accurate, comes at a great computational cost. Network models are computationally more efficient because the pore-space morphology is approximated. Typically, a mixed cell method (MCM) is employed for solving the flow and transport system which assumes pore-level perfect mixing. This assumption is invalid at moderate to high Peclet regimes. In this work, a novel Eulerian perspective on modelingmore » flow and transport at the pore-scale is developed. The new streamline splitting method (SSM) allows for circumventing the pore-level perfect mixing assumption, while maintaining the computational efficiency of pore-network models. SSM was verified with direct simulations and excellent matches were obtained against micromodel experiments across a wide range of pore-structure and fluid-flow parameters. The increase in the computational cost from MCM to SSM is shown to be minimal, while the accuracy of SSM is much higher than that of MCM and comparable to direct modeling approaches. Therefore, SSM can be regarded as an appropriate balance between incorporating detailed physics and controlling computational cost. The truly predictive capability of the model allows for the study of pore-level interactions of fluid flow and transport in different porous materials. In this paper, we apply SSM and MCM to study the effects of pore-level mixing on transverse dispersion in 3D disordered granular media.« less

  1. Simulation of shear plugging through thin plates using the GRIM Eulerian hydrocode

    NASA Astrophysics Data System (ADS)

    Church, P.; Cornish, R.; Cullis, I.; Lynch, N.

    2000-03-01

    Ballistic experiments have been performed using aluminum spheres against 10-mm rolled homogenous armour (RHA), MARS270, MARS300, and titanium alloy plates to investigate the influence of the plugging mechanism on material properties. The experiments have measured the threshold for plug mass and velocity as well as the recovered aluminum sphere mass over a range of velocities. Some of the experiments have been simulated using the in-house second generation Eulerian hydrocode GRIM. The calculations feature advanced material algorithms derived from interrupted tensile testing techniques and a triaxial failure model derived from notched tensile tests over a range of strain rates and temperatures. The effect of mesh resolution on the results has been investigated and understood. The simulation results illustrate the importance of the constitutive model in the shear localization process and the subsequent plugging phenomena. The stress triaxiality is seen as the dominant feature in controlling the onset and subsequent propagation of the crack leading to the shear plug. The simulations have demonstrated that accurate numerics coupled with accurate constitutive and fracture algorithms can successfully reproduce the observed experimental features. However, extrapolation of the fracture data leads to the simulations overpredicting the plug damage. The reasons for this are discussed.

  2. Results from a limited area mesoscale numerical simulation for 10 April 1979

    NASA Technical Reports Server (NTRS)

    Kalb, M. W.

    1985-01-01

    Results are presented from a nine-hour limited area fine mesh (35-km) mesoscale model simulation initialized with SESAME-AVE I radiosonde data for Apr. 10, 1979 at 2100 GMT. Emphasis is on the diagnosis of mesoscale structure in the mass and precipitation fields. Along the Texas/Oklahoma border, independent of the short wave, convective precipitation formed several hours into the simulation and was organized into a narrow band suggestive of the observed April 10 squall line.

  3. Accurate acceleration of kinetic Monte Carlo simulations through the modification of rate constants.

    PubMed

    Chatterjee, Abhijit; Voter, Arthur F

    2010-05-21

    We present a novel computational algorithm called the accelerated superbasin kinetic Monte Carlo (AS-KMC) method that enables a more efficient study of rare-event dynamics than the standard KMC method while maintaining control over the error. In AS-KMC, the rate constants for processes that are observed many times are lowered during the course of a simulation. As a result, rare processes are observed more frequently than in KMC and the time progresses faster. We first derive error estimates for AS-KMC when the rate constants are modified. These error estimates are next employed to develop a procedure for lowering process rates with control over the maximum error. Finally, numerical calculations are performed to demonstrate that the AS-KMC method captures the correct dynamics, while providing significant CPU savings over KMC in most cases. We show that the AS-KMC method can be employed with any KMC model, even when no time scale separation is present (although in such cases no computational speed-up is observed), without requiring the knowledge of various time scales present in the system.

  4. Using narrow beam profiles to quantify focal spot size, for accurate Monte Carlo simulations of SRS/SRT systems

    NASA Astrophysics Data System (ADS)

    Kairn, T.; Crowe, S. B.; Charles, P. H.; Trapp, J. V.

    2014-03-01

    This study investigates the variation of photon field penumbra shape with initial electron beam diameter, for very narrow beams. A Varian Millenium MLC (Varian Medical Systems, Palo Alto, USA) and a Brainlab m3 microMLC (Brainlab AB. Feldkirchen, Germany) were used, with one Varian iX linear accelerator, to produce fields that were (nominally) 0.20 cm across. Dose profiles for these fields were measured using radiochromic film and compared with the results of simulations completed using BEAMnrc and DOSXYZnrc, where the initial electron beam was set to FWHM = 0.02, 0.10, 0.12, 0.15, 0.20 and 0.50 cm. Increasing the electron-beam FWHM produced increasing occlusion of the photon source by the closely spaced collimator leaves and resulted in blurring of the simulated profile widths from 0.24 to 0.58 cm, for the MLC, from 0.11 to 0.40 cm, for the microMLC. Comparison with measurement data suggested that the electron spot size in the clinical linear accelerator was between FWHM = 0.10 and 0.15 cm, encompassing the result of our previous output-factor based work, which identified a FWHM of 0.12 cm. Investigation of narrow-beam penumbra variation has been found to be a useful procedure, with results varying noticeably with linear accelerator spot size and allowing FWHM estimates obtained using other methods to be verified.

  5. Pre-Stall Behavior of a Transonic Axial Compressor Stage via Time-Accurate Numerical Simulation

    NASA Technical Reports Server (NTRS)

    Chen, Jen-Ping; Hathaway, Michael D.; Herrick, Gregory P.

    2008-01-01

    CFD calculations using high-performance parallel computing were conducted to simulate the pre-stall flow of a transonic compressor stage, NASA compressor Stage 35. The simulations were run with a full-annulus grid that models the 3D, viscous, unsteady blade row interaction without the need for an artificial inlet distortion to induce stall. The simulation demonstrates the development of the rotating stall from the growth of instabilities. Pressure-rise performance and pressure traces are compared with published experimental data before the study of flow evolution prior to the rotating stall. Spatial FFT analysis of the flow indicates a rotating long-length disturbance of one rotor circumference, which is followed by a spike-type breakdown. The analysis also links the long-length wave disturbance with the initiation of the spike inception. The spike instabilities occur when the trajectory of the tip clearance flow becomes perpendicular to the axial direction. When approaching stall, the passage shock changes from a single oblique shock to a dual-shock, which distorts the perpendicular trajectory of the tip clearance vortex but shows no evidence of flow separation that may contribute to stall.

  6. Results from teleoperated free-flying spacecraft simulations in the Martin Marietta space operations simulator lab

    NASA Technical Reports Server (NTRS)

    Hartley, Craig S.

    1990-01-01

    To augment the capabilities of the Space Transportation System, NASA has funded studies and developed programs aimed at developing reusable, remotely piloted spacecraft and satellite servicing systems capable of delivering, retrieving, and servicing payloads at altitudes and inclinations beyond the reach of the present Shuttle Orbiters. Since the mid 1970's, researchers at the Martin Marietta Astronautics Group Space Operations Simulation (SOS) Laboratory have been engaged in investigations of remotely piloted and supervised autonomous spacecraft operations. These investigations were based on high fidelity, real-time simulations and have covered a wide range of human factors issues related to controllability. Among these are: (1) mission conditions, including thruster plume impingements and signal time delays; (2) vehicle performance variables, including control authority, control harmony, minimum impulse, and cross coupling of accelerations; (3) maneuvering task requirements such as target distance and dynamics; (4) control parameters including various control modes and rate/displacement deadbands; and (5) display parameters involving camera placement and function, visual aids, and presentation of operational feedback from the spacecraft. This presentation includes a brief description of the capabilities of the SOS Lab to simulate real-time free-flyer operations using live video, advanced technology ground and on-orbit workstations, and sophisticated computer models of on-orbit spacecraft behavior. Sample results from human factors studies in the five categories cited above are provided.

  7. NIMROD Resistive Magnetohydrodynamic Simulations of Spheromak Physics

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hooper, E B; Cohen, B I; McLean, H S

    The physics of spheromak plasmas is addressed by time-dependent, three-dimensional, resistive magneto-hydrodynamic simulations with the NIMROD code. Included in some detail are the formation of a spheromak driven electrostatically by a coaxial plasma gun with a flux-conserver geometry and power systems that accurately model the Sustained Spheromak Physics Experiment (SSPX) (R. D. Wood, et al., Nucl. Fusion 45, 1582 (2005)). The controlled decay of the spheromak plasma over several milliseconds is also modeled as the programmable current and voltage relax, resulting in simulations of entire experimental pulses. Reconnection phenomena and the effects of current profile evolution on the growth ofmore » symmetry-breaking toroidal modes are diagnosed; these in turn affect the quality of magnetic surfaces and the energy confinement. The sensitivity of the simulation results address variations in both physical and numerical parameters, including spatial resolution. There are significant points of agreement between the simulations and the observed experimental behavior, e.g., in the evolution of the magnetics and the sensitivity of the energy confinement to the presence of symmetry-breaking magnetic fluctuations.« less

  8. New approach based on tetrahedral-mesh geometry for accurate 4D Monte Carlo patient-dose calculation

    NASA Astrophysics Data System (ADS)

    Han, Min Cheol; Yeom, Yeon Soo; Kim, Chan Hyeong; Kim, Seonghoon; Sohn, Jason W.

    2015-02-01

    In the present study, to achieve accurate 4D Monte Carlo dose calculation in radiation therapy, we devised a new approach that combines (1) modeling of the patient body using tetrahedral-mesh geometry based on the patient’s 4D CT data, (2) continuous movement/deformation of the tetrahedral patient model by interpolation of deformation vector fields acquired through deformable image registration, and (3) direct transportation of radiation particles during the movement and deformation of the tetrahedral patient model. The results of our feasibility study show that it is certainly possible to construct 4D patient models (= phantoms) with sufficient accuracy using the tetrahedral-mesh geometry and to directly transport radiation particles during continuous movement and deformation of the tetrahedral patient model. This new approach not only produces more accurate dose distribution in the patient but also replaces the current practice of using multiple 3D voxel phantoms and combining multiple dose distributions after Monte Carlo simulations. For routine clinical application of our new approach, the use of fast automatic segmentation algorithms is a must. In order to achieve, simultaneously, both dose accuracy and computation speed, the number of tetrahedrons for the lungs should be optimized. Although the current computation speed of our new 4D Monte Carlo simulation approach is slow (i.e. ~40 times slower than that of the conventional dose accumulation approach), this problem is resolvable by developing, in Geant4, a dedicated navigation class optimized for particle transportation in tetrahedral-mesh geometry.

  9. Audio Taping Simulated Patient Encounters in Community Pharmacy to Enhance the Reliability of Assessments

    PubMed Central

    Werner, Joel Benjamin

    2008-01-01

    Objectives To assess whether audio taping simulated patient interactions can improve the reliability of manually documented data and result in more accurate assessments. Methods Over a 3-month period, 1340 simulated patient visits were made to community pharmacies. Following the encounters, data gathered by the simulated patient were relayed to a coordinator who completed a rating form. Data recorded on the forms were later compared to an audiotape of the interaction. Corrections were tallied and reasons for making them were coded. Results Approximately 10% of cases required corrections, resulting in a 10%-20% modification in the pharmacy's total score. The difference between postcorrection and precorrection scores was significant. Conclusions Audio taping simulated patient visits enhances data integrity. Most corrections were required because of the simulated patients' poor recall abilities. PMID:19325956

  10. Accurate beacon positioning method for satellite-to-ground optical communication.

    PubMed

    Wang, Qiang; Tong, Ling; Yu, Siyuan; Tan, Liying; Ma, Jing

    2017-12-11

    In satellite laser communication systems, accurate positioning of the beacon is essential for establishing a steady laser communication link. For satellite-to-ground optical communication, the main influencing factors on the acquisition of the beacon are background noise and atmospheric turbulence. In this paper, we consider the influence of background noise and atmospheric turbulence on the beacon in satellite-to-ground optical communication, and propose a new locating algorithm for the beacon, which takes the correlation coefficient obtained by curve fitting for image data as weights. By performing a long distance laser communication experiment (11.16 km), we verified the feasibility of this method. Both simulation and experiment showed that the new algorithm can accurately obtain the position of the centroid of beacon. Furthermore, for the distortion of the light spot through atmospheric turbulence, the locating accuracy of the new algorithm was 50% higher than that of the conventional gray centroid algorithm. This new approach will be beneficial for the design of satellite-to ground optical communication systems.

  11. Fast simulation of yttrium-90 bremsstrahlung photons with GATE.

    PubMed

    Rault, Erwann; Staelens, Steven; Van Holen, Roel; De Beenhouwer, Jan; Vandenberghe, Stefaan

    2010-06-01

    Multiple investigators have recently reported the use of yttrium-90 (90Y) bremsstrahlung single photon emission computed tomography (SPECT) imaging for the dosimetry of targeted radionuclide therapies. Because Monte Carlo (MC) simulations are useful for studying SPECT imaging, this study investigates the MC simulation of 90Y bremsstrahlung photons in SPECT. To overcome the computationally expensive simulation of electrons, the authors propose a fast way to simulate the emission of 90Y bremsstrahlung photons based on prerecorded bremsstrahlung photon probability density functions (PDFs). The accuracy of bremsstrahlung photon simulation is evaluated in two steps. First, the validity of the fast bremsstrahlung photon generator is checked. To that end, fast and analog simulations of photons emitted from a 90Y point source in a water phantom are compared. The same setup is then used to verify the accuracy of the bremsstrahlung photon simulations, comparing the results obtained with PDFs generated from both simulated and measured data to measurements. In both cases, the energy spectra and point spread functions of the photons detected in a scintillation camera are used. Results show that the fast simulation method is responsible for a 5% overestimation of the low-energy fluence (below 75 keV) of the bremsstrahlung photons detected using a scintillation camera. The spatial distribution of the detected photons is, however, accurately reproduced with the fast method and a computational acceleration of approximately 17-fold is achieved. When measured PDFs are used in the simulations, the simulated energy spectrum of photons emitted from a point source of 90Y in a water phantom and detected in a scintillation camera closely approximates the measured spectrum. The PSF of the photons imaged in the 50-300 keV energy window is also accurately estimated with a 12.4% underestimation of the full width at half maximum and 4.5% underestimation of the full width at tenth maximum

  12. A Coupled Earthquake-Tsunami Simulation Framework Applied to the Sumatra 2004 Event

    NASA Astrophysics Data System (ADS)

    Vater, Stefan; Bader, Michael; Behrens, Jörn; van Dinther, Ylona; Gabriel, Alice-Agnes; Madden, Elizabeth H.; Ulrich, Thomas; Uphoff, Carsten; Wollherr, Stephanie; van Zelst, Iris

    2017-04-01

    Large earthquakes along subduction zone interfaces have generated destructive tsunamis near Chile in 1960, Sumatra in 2004, and northeast Japan in 2011. In order to better understand these extreme events, we have developed tools for physics-based, coupled earthquake-tsunami simulations. This simulation framework is applied to the 2004 Indian Ocean M 9.1-9.3 earthquake and tsunami, a devastating event that resulted in the loss of more than 230,000 lives. The earthquake rupture simulation is performed using an ADER discontinuous Galerkin discretization on an unstructured tetrahedral mesh with the software SeisSol. Advantages of this approach include accurate representation of complex fault and sea floor geometries and a parallelized and efficient workflow in high-performance computing environments. Accurate and efficient representation of the tsunami evolution and inundation at the coast is achieved with an adaptive mesh discretizing the shallow water equations with a second-order Runge-Kutta discontinuous Galerkin (RKDG) scheme. With the application of the framework to this historic event, we aim to better understand the involved mechanisms between the dynamic earthquake within the earth's crust, the resulting tsunami wave within the ocean, and the final coastal inundation process. Earthquake model results are constrained by GPS surface displacements and tsunami model results are compared with buoy and inundation data. This research is part of the ASCETE Project, "Advanced Simulation of Coupled Earthquake and Tsunami Events", funded by the Volkswagen Foundation.

  13. New Distributed Multipole Methods for Accurate Electrostatics for Large-Scale Biomolecular Simultations

    NASA Astrophysics Data System (ADS)

    Sagui, Celeste

    2006-03-01

    An accurate and numerically efficient treatment of electrostatics is essential for biomolecular simulations, as this stabilizes much of the delicate 3-d structure associated with biomolecules. Currently, force fields such as AMBER and CHARMM assign ``partial charges'' to every atom in a simulation in order to model the interatomic electrostatic forces, so that the calculation of the electrostatics rapidly becomes the computational bottleneck in large-scale simulations. There are two main issues associated with the current treatment of classical electrostatics: (i) how does one eliminate the artifacts associated with the point-charges (e.g., the underdetermined nature of the current RESP fitting procedure for large, flexible molecules) used in the force fields in a physically meaningful way? (ii) how does one efficiently simulate the very costly long-range electrostatic interactions? Recently, we have dealt with both of these challenges as follows. In order to improve the description of the molecular electrostatic potentials (MEPs), a new distributed multipole analysis based on localized functions -- Wannier, Boys, and Edminston-Ruedenberg -- was introduced, which allows for a first principles calculation of the partial charges and multipoles. Through a suitable generalization of the particle mesh Ewald (PME) and multigrid method, one can treat electrostatic multipoles all the way to hexadecapoles all without prohibitive extra costs. The importance of these methods for large-scale simulations will be discussed, and examplified by simulations from polarizable DNA models.

  14. Novel approach for beacon formation through simulated turbulence: initial lab-test results

    NASA Astrophysics Data System (ADS)

    Khizhnyak, A.; Markov, V.; Tomov, I.; Wu, F.

    2010-02-01

    In this paper we report the results of the analysis and experimental modeling of the target-in-the-loop (TIL) approach that is used to form a localized beacon for a laser beam propagating through turbulent atmosphere. The analogy between the TIL system and the laser cavity has been used here to simulate the process shaping the laser beacon on a remote image-resolved target with rough surface. The TIL breadboard was integrated and used for laboratory modeling of the proposed approach. This breadboard allowed to simulate the TIL arrangement with a rough-surface target and laser beam propagation through the turbulent atmospheric layer. Here we present the initial results of the performed studies.

  15. Rapid and accurate prediction and scoring of water molecules in protein binding sites.

    PubMed

    Ross, Gregory A; Morris, Garrett M; Biggin, Philip C

    2012-01-01

    Water plays a critical role in ligand-protein interactions. However, it is still challenging to predict accurately not only where water molecules prefer to bind, but also which of those water molecules might be displaceable. The latter is often seen as a route to optimizing affinity of potential drug candidates. Using a protocol we call WaterDock, we show that the freely available AutoDock Vina tool can be used to predict accurately the binding sites of water molecules. WaterDock was validated using data from X-ray crystallography, neutron diffraction and molecular dynamics simulations and correctly predicted 97% of the water molecules in the test set. In addition, we combined data-mining, heuristic and machine learning techniques to develop probabilistic water molecule classifiers. When applied to WaterDock predictions in the Astex Diverse Set of protein ligand complexes, we could identify whether a water molecule was conserved or displaced to an accuracy of 75%. A second model predicted whether water molecules were displaced by polar groups or by non-polar groups to an accuracy of 80%. These results should prove useful for anyone wishing to undertake rational design of new compounds where the displacement of water molecules is being considered as a route to improved affinity.

  16. [Numerical simulation and operation optimization of biological filter].

    PubMed

    Zou, Zong-Sen; Shi, Han-Chang; Chen, Xiang-Qiang; Xie, Xiao-Qing

    2014-12-01

    BioWin software and two sensitivity analysis methods were used to simulate the Denitrification Biological Filter (DNBF) + Biological Aerated Filter (BAF) process in Yuandang Wastewater Treatment Plant. Based on the BioWin model of DNBF + BAF process, the operation data of September 2013 were used for sensitivity analysis and model calibration, and the operation data of October 2013 were used for model validation. The results indicated that the calibrated model could accurately simulate practical DNBF + BAF processes, and the most sensitive parameters were the parameters related to biofilm, OHOs and aeration. After the validation and calibration of model, it was used for process optimization with simulating operation results under different conditions. The results showed that, the best operation condition for discharge standard B was: reflux ratio = 50%, ceasing methanol addition, influent C/N = 4.43; while the best operation condition for discharge standard A was: reflux ratio = 50%, influent COD = 155 mg x L(-1) after methanol addition, influent C/N = 5.10.

  17. Highly accurate surface maps from profilometer measurements

    NASA Astrophysics Data System (ADS)

    Medicus, Kate M.; Nelson, Jessica D.; Mandina, Mike P.

    2013-04-01

    Many aspheres and free-form optical surfaces are measured using a single line trace profilometer which is limiting because accurate 3D corrections are not possible with the single trace. We show a method to produce an accurate fully 2.5D surface height map when measuring a surface with a profilometer using only 6 traces and without expensive hardware. The 6 traces are taken at varying angular positions of the lens, rotating the part between each trace. The output height map contains low form error only, the first 36 Zernikes. The accuracy of the height map is ±10% of the actual Zernike values and within ±3% of the actual peak to valley number. The calculated Zernike values are affected by errors in the angular positioning, by the centering of the lens, and to a small effect, choices made in the processing algorithm. We have found that the angular positioning of the part should be better than 1?, which is achievable with typical hardware. The centering of the lens is essential to achieving accurate measurements. The part must be centered to within 0.5% of the diameter to achieve accurate results. This value is achievable with care, with an indicator, but the part must be edged to a clean diameter.

  18. Factors affecting the simulated trajectory and intensification of Tropical Cyclone Yasi (2011)

    NASA Astrophysics Data System (ADS)

    Parker, Chelsea L.; Lynch, Amanda H.; Mooney, Priscilla A.

    2017-09-01

    This study investigates the sensitivity of the simulated trajectory, intensification, and forward speed of Tropical Cyclone Yasi to initial conditions, physical parameterizations, and sea surface temperatures. Yasi was a category 5 storm that made landfall in Queensland, Australia in February 2011. A series of simulations were performed using WRF-ARW v3.4.1 driven by ERA-Interim data at the lateral boundaries. To assess these simulations, a new simple skill score is devised to summarize the deviation from observed conditions at landfall. The results demonstrate the sensitivity to initial condition resolution and the need for a new initialization dataset. Ensemble testing of physics parameterizations revealed strong sensitivity to cumulus schemes, with a trade-off between trajectory and intensity accuracy. The Tiedtke scheme produces an accurate trajectory evolution and landfall location. The Kain Fritch scheme is associated with larger errors in trajectory due to a less active shallow convection over the ocean, leading to warmer temperatures at the 700 mb level and a stronger, more poleward steering flow. However, the Kain Fritsch scheme produces more accurate intensities and translation speeds. Tiedtke-derived intensities were weaker due to suppression of deep convection by active shallow convection. Accurate representation of the sea surface temperature through correcting a newly discovered SST lag in reanalysis data or increasing resolution of SST data can improve the simulation. Higher resolution increases relative vorticity and intensity. However, the sea surface boundary had a more pronounced effect on the simulation with the Tiedtke scheme due to its moisture convergence trigger and active shallow convection over the tropical ocean.

  19. Simulating Aerosol Optical Properties With the Aerosol Simulation Program (ASP): Closure Studies Using ARCTAS Data

    NASA Astrophysics Data System (ADS)

    Alvarado, M. J.; Macintyre, H. L.; Bian, H.; Chin, M.; Wang, C.

    2012-12-01

    The scattering and absorption of ultraviolet and visible radiation by aerosols can significantly alter actinic fluxes and photolysis rates. Accurate modeling of aerosol optical properties is thus essential to simulating atmospheric chemistry, air quality, and climate. Here we evaluate the aerosol optical property predictions of the Aerosol Simulation Program (ASP) with in situ data on aerosol scattering and absorption gathered during the Arctic Research of the Composition of the Troposphere from Aircraft and Satellites (ARCTAS) campaign. The model simulations are initialized with in situ data on the aerosol size distribution and composition. We perform a set of sensitivity studies (e.g., internal vs. external mixture, core-in-shell versus Maxwell-Garnett, fraction of the organic carbon mass that is light-absorbing "brown carbon," etc.) to determine the model framework and parameters most consistent with the observations. We compare the ASP results to the aerosol optical property lookup tables in FAST-JX and suggest improvements that will better enable FAST-JX to simulate the impact of aerosols on photolysis rates and atmospheric chemistry.

  20. Accurate Structural Correlations from Maximum Likelihood Superpositions

    PubMed Central

    Theobald, Douglas L; Wuttke, Deborah S

    2008-01-01

    The cores of globular proteins are densely packed, resulting in complicated networks of structural interactions. These interactions in turn give rise to dynamic structural correlations over a wide range of time scales. Accurate analysis of these complex correlations is crucial for understanding biomolecular mechanisms and for relating structure to function. Here we report a highly accurate technique for inferring the major modes of structural correlation in macromolecules using likelihood-based statistical analysis of sets of structures. This method is generally applicable to any ensemble of related molecules, including families of nuclear magnetic resonance (NMR) models, different crystal forms of a protein, and structural alignments of homologous proteins, as well as molecular dynamics trajectories. Dominant modes of structural correlation are determined using principal components analysis (PCA) of the maximum likelihood estimate of the correlation matrix. The correlations we identify are inherently independent of the statistical uncertainty and dynamic heterogeneity associated with the structural coordinates. We additionally present an easily interpretable method (“PCA plots”) for displaying these positional correlations by color-coding them onto a macromolecular structure. Maximum likelihood PCA of structural superpositions, and the structural PCA plots that illustrate the results, will facilitate the accurate determination of dynamic structural correlations analyzed in diverse fields of structural biology. PMID:18282091

  1. Computer simulation comparison of tripolar, bipolar, and spline Laplacian electrocadiogram estimators.

    PubMed

    Chen, T; Besio, W; Dai, W

    2009-01-01

    A comparison of the performance of the tripolar and bipolar concentric as well as spline Laplacian electrocardiograms (LECGs) and body surface Laplacian mappings (BSLMs) for localizing and imaging the cardiac electrical activation has been investigated based on computer simulation. In the simulation a simplified eccentric heart-torso sphere-cylinder homogeneous volume conductor model were developed. Multiple dipoles with different orientations were used to simulate the underlying cardiac electrical activities. Results show that the tripolar concentric ring electrodes produce the most accurate LECG and BSLM estimation among the three estimators with the best performance in spatial resolution.

  2. The new ATLAS Fast Calorimeter Simulation

    NASA Astrophysics Data System (ADS)

    Schaarschmidt, J.; ATLAS Collaboration

    2017-10-01

    Current and future need for large scale simulated samples motivate the development of reliable fast simulation techniques. The new Fast Calorimeter Simulation is an improved parameterized response of single particles in the ATLAS calorimeter that aims to accurately emulate the key features of the detailed calorimeter response as simulated with Geant4, yet approximately ten times faster. Principal component analysis and machine learning techniques are used to improve the performance and decrease the memory need compared to the current version of the ATLAS Fast Calorimeter Simulation. A prototype of this new Fast Calorimeter Simulation is in development and its integration into the ATLAS simulation infrastructure is ongoing.

  3. Combination of the pair density approximation and the Takahashi–Imada approximation for path integral Monte Carlo simulations

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zillich, Robert E., E-mail: robert.zillich@jku.at

    2015-11-15

    We construct an accurate imaginary time propagator for path integral Monte Carlo simulations for heterogeneous systems consisting of a mixture of atoms and molecules. We combine the pair density approximation, which is highly accurate but feasible only for the isotropic interactions between atoms, with the Takahashi–Imada approximation for general interactions. We present finite temperature simulations results for energy and structure of molecules–helium clusters X{sup 4}He{sub 20} (X=HCCH and LiH) which show a marked improvement over the Trotter approximation which has a 2nd-order time step bias. We show that the 4th-order corrections of the Takahashi–Imada approximation can also be applied perturbativelymore » to a 2nd-order simulation.« less

  4. Simulating observations with HARMONI: the integral field spectrograph for the European Extremely Large Telescope

    NASA Astrophysics Data System (ADS)

    Zieleniewski, Simon; Thatte, Niranjan; Kendrew, Sarah; Houghton, Ryan; Tecza, Matthias; Clarke, Fraser; Fusco, Thierry; Swinbank, Mark

    2014-07-01

    With the next generation of extremely large telescopes commencing construction, there is an urgent need for detailed quantitative predictions of the scientific observations that these new telescopes will enable. Most of these new telescopes will have adaptive optics fully integrated with the telescope itself, allowing unprecedented spatial resolution combined with enormous sensitivity. However, the adaptive optics point spread function will be strongly wavelength dependent, requiring detailed simulations that accurately model these variations. We have developed a simulation pipeline for the HARMONI integral field spectrograph, a first light instrument for the European Extremely Large Telescope. The simulator takes high-resolution input data-cubes of astrophysical objects and processes them with accurate atmospheric, telescope and instrumental effects, to produce mock observed cubes for chosen observing parameters. The output cubes represent the result of a perfect data reduc- tion process, enabling a detailed analysis and comparison between input and output, showcasing HARMONI's capabilities. The simulations utilise a detailed knowledge of the telescope's wavelength dependent adaptive op- tics point spread function. We discuss the simulation pipeline and present an early example of the pipeline functionality for simulating observations of high redshift galaxies.

  5. Influences of 3D PET scanner components on increased scatter evaluated by a Monte Carlo simulation

    NASA Astrophysics Data System (ADS)

    Hirano, Yoshiyuki; Koshino, Kazuhiro; Iida, Hidehiro

    2017-05-01

    Monte Carlo simulation is widely applied to evaluate the performance of three-dimensional positron emission tomography (3D-PET). For accurate scatter simulations, all components that generate scatter need to be taken into account. The aim of this work was to identify the components that influence scatter. The simulated geometries of a PET scanner were: a precisely reproduced configuration including all of the components; a configuration with the bed, the tunnel and shields; a configuration with the bed and shields; and the simplest geometry with only the bed. We measured and simulated the scatter fraction using two different set-ups: (1) as prescribed by NEMA-NU 2007 and (2) a similar set-up but with a shorter line source, so that all activity was contained only inside the field-of-view (FOV), in order to reduce influences of components outside the FOV. The scatter fractions for the two experimental set-ups were, respectively, 45% and 38%. Regarding the geometrical configurations, the former two configurations gave simulation results in good agreement with the experimental results, but simulation results of the simplest geometry were significantly different at the edge of the FOV. From the simulation of the precise configuration, the object (scatter phantom) was the source of more than 90% of the scatter. This was also confirmed by visualization of photon trajectories. Then, the bed and the tunnel were mainly the sources of the rest of the scatter. From the simulation results, we concluded that the precise construction was not needed; the shields, the tunnel, the bed and the object were sufficient for accurate scatter simulations.

  6. MULTI-K: accurate classification of microarray subtypes using ensemble k-means clustering

    PubMed Central

    Kim, Eun-Youn; Kim, Seon-Young; Ashlock, Daniel; Nam, Dougu

    2009-01-01

    Background Uncovering subtypes of disease from microarray samples has important clinical implications such as survival time and sensitivity of individual patients to specific therapies. Unsupervised clustering methods have been used to classify this type of data. However, most existing methods focus on clusters with compact shapes and do not reflect the geometric complexity of the high dimensional microarray clusters, which limits their performance. Results We present a cluster-number-based ensemble clustering algorithm, called MULTI-K, for microarray sample classification, which demonstrates remarkable accuracy. The method amalgamates multiple k-means runs by varying the number of clusters and identifies clusters that manifest the most robust co-memberships of elements. In addition to the original algorithm, we newly devised the entropy-plot to control the separation of singletons or small clusters. MULTI-K, unlike the simple k-means or other widely used methods, was able to capture clusters with complex and high-dimensional structures accurately. MULTI-K outperformed other methods including a recently developed ensemble clustering algorithm in tests with five simulated and eight real gene-expression data sets. Conclusion The geometric complexity of clusters should be taken into account for accurate classification of microarray data, and ensemble clustering applied to the number of clusters tackles the problem very well. The C++ code and the data sets tested are available from the authors. PMID:19698124

  7. Mars Exploration Rover Terminal Descent Mission Modeling and Simulation

    NASA Technical Reports Server (NTRS)

    Raiszadeh, Behzad; Queen, Eric M.

    2004-01-01

    Because of NASA's added reliance on simulation for successful interplanetary missions, the MER mission has developed a detailed EDL trajectory modeling and simulation. This paper summarizes how the MER EDL sequence of events are modeled, verification of the methods used, and the inputs. This simulation is built upon a multibody parachute trajectory simulation tool that has been developed in POST I1 that accurately simulates the trajectory of multiple vehicles in flight with interacting forces. In this model the parachute and the suspended bodies are treated as 6 Degree-of-Freedom (6 DOF) bodies. The terminal descent phase of the mission consists of several Entry, Descent, Landing (EDL) events, such as parachute deployment, heatshield separation, deployment of the lander from the backshell, deployment of the airbags, RAD firings, TIRS firings, etc. For an accurate, reliable simulation these events need to be modeled seamlessly and robustly so that the simulations will remain numerically stable during Monte-Carlo simulations. This paper also summarizes how the events have been modeled, the numerical issues, and modeling challenges.

  8. Optimal simulations of ultrasonic fields produced by large thermal therapy arrays using the angular spectrum approach

    PubMed Central

    Zeng, Xiaozheng; McGough, Robert J.

    2009-01-01

    The angular spectrum approach is evaluated for the simulation of focused ultrasound fields produced by large thermal therapy arrays. For an input pressure or normal particle velocity distribution in a plane, the angular spectrum approach rapidly computes the output pressure field in a three dimensional volume. To determine the optimal combination of simulation parameters for angular spectrum calculations, the effect of the size, location, and the numerical accuracy of the input plane on the computed output pressure is evaluated. Simulation results demonstrate that angular spectrum calculations performed with an input pressure plane are more accurate than calculations with an input velocity plane. Results also indicate that when the input pressure plane is slightly larger than the array aperture and is located approximately one wavelength from the array, angular spectrum simulations have very small numerical errors for two dimensional planar arrays. Furthermore, the root mean squared error from angular spectrum simulations asymptotically approaches a nonzero lower limit as the error in the input plane decreases. Overall, the angular spectrum approach is an accurate and robust method for thermal therapy simulations of large ultrasound phased arrays when the input pressure plane is computed with the fast nearfield method and an optimal combination of input parameters. PMID:19425640

  9. Structured Overlapping Grid Simulations of Contra-rotating Open Rotor Noise

    NASA Technical Reports Server (NTRS)

    Housman, Jeffrey A.; Kiris, Cetin C.

    2015-01-01

    Computational simulations using structured overlapping grids with the Launch Ascent and Vehicle Aerodynamics (LAVA) solver framework are presented for predicting tonal noise generated by a contra-rotating open rotor (CROR) propulsion system. A coupled Computational Fluid Dynamics (CFD) and Computational AeroAcoustics (CAA) numerical approach is applied. Three-dimensional time-accurate hybrid Reynolds Averaged Navier-Stokes/Large Eddy Simulation (RANS/LES) CFD simulations are performed in the inertial frame, including dynamic moving grids, using a higher-order accurate finite difference discretization on structured overlapping grids. A higher-order accurate free-stream preserving metric discretization with discrete enforcement of the Geometric Conservation Law (GCL) on moving curvilinear grids is used to create an accurate, efficient, and stable numerical scheme. The aeroacoustic analysis is based on a permeable surface Ffowcs Williams-Hawkings (FW-H) approach, evaluated in the frequency domain. A time-step sensitivity study was performed using only the forward row of blades to determine an adequate time-step. The numerical approach is validated against existing wind tunnel measurements.

  10. Digital simulation of scalar optical diffraction: revisiting chirp function sampling criteria and consequences.

    PubMed

    Voelz, David G; Roggemann, Michael C

    2009-11-10

    Accurate simulation of scalar optical diffraction requires consideration of the sampling requirement for the phase chirp function that appears in the Fresnel diffraction expression. We describe three sampling regimes for FFT-based propagation approaches: ideally sampled, oversampled, and undersampled. Ideal sampling, where the chirp and its FFT both have values that match analytic chirp expressions, usually provides the most accurate results but can be difficult to realize in practical simulations. Under- or oversampling leads to a reduction in the available source plane support size, the available source bandwidth, or the available observation support size, depending on the approach and simulation scenario. We discuss three Fresnel propagation approaches: the impulse response/transfer function (angular spectrum) method, the single FFT (direct) method, and the two-step method. With illustrations and simulation examples we show the form of the sampled chirp functions and their discrete transforms, common relationships between the three methods under ideal sampling conditions, and define conditions and consequences to be considered when using nonideal sampling. The analysis is extended to describe the sampling limitations for the more exact Rayleigh-Sommerfeld diffraction solution.

  11. A more accurate scheme for calculating Earth's skin temperature

    NASA Astrophysics Data System (ADS)

    Tsuang, Ben-Jei; Tu, Chia-Ying; Tsai, Jeng-Lin; Dracup, John A.; Arpe, Klaus; Meyers, Tilden

    2009-02-01

    The theoretical framework of the vertical discretization of a ground column for calculating Earth’s skin temperature is presented. The suggested discretization is derived from the evenly heat-content discretization with the optimal effective thickness for layer-temperature simulation. For the same level number, the suggested discretization is more accurate in skin temperature as well as surface ground heat flux simulations than those used in some state-of-the-art models. A proposed scheme (“op(3,2,0)”) can reduce the normalized root-mean-square error (or RMSE/STD ratio) of the calculated surface ground heat flux of a cropland site significantly to 2% (or 0.9 W m-2), from 11% (or 5 W m-2) by a 5-layer scheme used in ECMWF, from 19% (or 8 W m-2) by a 5-layer scheme used in ECHAM, and from 74% (or 32 W m-2) by a single-layer scheme used in the UCLA GCM. Better accuracy can be achieved by including more layers to the vertical discretization. Similar improvements are expected for other locations with different land types since the numerical error is inherited into the models for all the land types. The proposed scheme can be easily implemented into state-of-the-art climate models for the temperature simulation of snow, ice and soil.

  12. Accurate mass and velocity functions of dark matter haloes

    NASA Astrophysics Data System (ADS)

    Comparat, Johan; Prada, Francisco; Yepes, Gustavo; Klypin, Anatoly

    2017-08-01

    N-body cosmological simulations are an essential tool to understand the observed distribution of galaxies. We use the MultiDark simulation suite, run with the Planck cosmological parameters, to revisit the mass and velocity functions. At redshift z = 0, the simulations cover four orders of magnitude in halo mass from ˜1011M⊙ with 8783 874 distinct haloes and 532 533 subhaloes. The total volume used is ˜515 Gpc3, more than eight times larger than in previous studies. We measure and model the halo mass function, its covariance matrix w.r.t halo mass and the large-scale halo bias. With the formalism of the excursion-set mass function, we explicit the tight interconnection between the covariance matrix, bias and halo mass function. We obtain a very accurate (<2 per cent level) model of the distinct halo mass function. We also model the subhalo mass function and its relation to the distinct halo mass function. The set of models obtained provides a complete and precise framework for the description of haloes in the concordance Planck cosmology. Finally, we provide precise analytical fits of the Vmax maximum velocity function up to redshift z < 2.3 to push for the development of halo occupation distribution using Vmax. The data and the analysis code are made publicly available in the Skies and Universes data base.

  13. Hybrid Architectural Framework for C4ISR and Discrete-Event Simulation (DES) to Support Sensor-Driven Model Synthesis in Real-World Scenarios

    DTIC Science & Technology

    2013-09-01

    which utilizes FTA and then loads it into a DES engine to generate simulation results. .......44 Figure 21. This simulation architecture is...While Discrete Event Simulation ( DES ) can provide accurate time estimation and fast simulation speed, models utilizing it often suffer...C4ISR progress in MDW is developed in this research to demonstrate the feasibility of AEMF- DES and explore its potential. The simulation (MDSIM

  14. Results of a Flight Simulation Software Methods Survey

    NASA Technical Reports Server (NTRS)

    Jackson, E. Bruce

    1995-01-01

    A ten-page questionnaire was mailed to members of the AIAA Flight Simulation Technical Committee in the spring of 1994. The survey inquired about various aspects of developing and maintaining flight simulation software, as well as a few questions dealing with characterization of each facility. As of this report, 19 completed surveys (out of 74 sent out) have been received. This paper summarizes those responses.

  15. Simulator for heterogeneous dataflow architectures

    NASA Technical Reports Server (NTRS)

    Malekpour, Mahyar R.

    1993-01-01

    A new simulator is developed to simulate the execution of an algorithm graph in accordance with the Algorithm to Architecture Mapping Model (ATAMM) rules. ATAMM is a Petri Net model which describes the periodic execution of large-grained, data-independent dataflow graphs and which provides predictable steady state time-optimized performance. This simulator extends the ATAMM simulation capability from a heterogenous set of resources, or functional units, to a more general heterogenous architecture. Simulation test cases show that the simulator accurately executes the ATAMM rules for both a heterogenous architecture and a homogenous architecture, which is the special case for only one processor type. The simulator forms one tool in an ATAMM Integrated Environment which contains other tools for graph entry, graph modification for performance optimization, and playback of simulations for analysis.

  16. Development of a Searchable Database of Cryoablation Simulations for Use in Treatment Planning

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Boas, F. Edward, E-mail: boasf@mskcc.org; Srimathveeravalli, Govindarajan, E-mail: srimaths@mskcc.org; Durack, Jeremy C., E-mail: durackj@mskcc.org

    PurposeTo create and validate a planning tool for multiple-probe cryoablation, using simulations of ice ball size and shape for various ablation probe configurations, ablation times, and types of tissue ablated.Materials and MethodsIce ball size and shape was simulated using the Pennes bioheat equation. Five thousand six hundred and seventy different cryoablation procedures were simulated, using 1–6 cryoablation probes and 1–2 cm spacing between probes. The resulting ice ball was measured along three perpendicular axes and recorded in a database. Simulated ice ball sizes were compared to gel experiments (26 measurements) and clinical cryoablation cases (42 measurements). The clinical cryoablation measurements weremore » obtained from a HIPAA-compliant retrospective review of kidney and liver cryoablation procedures between January 2015 and February 2016. Finally, we created a web-based cryoablation planning tool, which uses the cryoablation simulation database to look up the probe spacing and ablation time that produces the desired ice ball shape and dimensions.ResultsAverage absolute error between the simulated and experimentally measured ice balls was 1 mm in gel experiments and 4 mm in clinical cryoablation cases. The simulations accurately predicted the degree of synergy in multiple-probe ablations. The cryoablation simulation database covers a wide range of ice ball sizes and shapes up to 9.8 cm.ConclusionCryoablation simulations accurately predict the ice ball size in multiple-probe ablations. The cryoablation database can be used to plan ablation procedures: given the desired ice ball size and shape, it will find the number and type of probes, probe configuration and spacing, and ablation time required.« less

  17. Plasma Drifts in the Intermediate Magnetosphere: Simulation Results

    NASA Astrophysics Data System (ADS)

    Lyon, J.; Zhang, B.

    2016-12-01

    One of the outstanding questions about the inner magnetosphere dynamics is how the ring current is populated. It is not clear how much is due to a general injection over longer time and spatial scales and how much due to more bursty events. One of the major uncertainties is the behavior of the plasma in the intermediate magnetosphere: the region where the magnetosphere changes from being tail-like to one where the dipole field dominates. This is also the region where physically the plasma behavior changes from MHD-like in the tail to one dominated by particle drifts in the inner magnetosphere. No of the current simulation models self-consistently handle the region where drifts are important but not dominant. We have recently developed a version of the multi-fluid LFM code that can self-consistently handle this situation. The drifts are modeled in a fashion similar to the Rice Convection Model in that a number of energy "channels" are explicitly simulated. However, the method is not limited to the "slow flow" region and both diamagnetic and inertial drifts are included. We present results from a number of idealized cases of the global magnetosphere interacting with a southward turning of the IMF. We discuss the relative importance of general convection and bursty flows to the transport of particles and energy across this region.

  18. A method for simulating a flux-locked DC SQUID

    NASA Technical Reports Server (NTRS)

    Gutt, G. M.; Kasdin, N. J.; Condron, M. R., II; Muhlfelder, B.; Lockhart, J. M.; Cromar, M. W.

    1993-01-01

    The authors describe a computationally efficient and accurate method for simulating a dc SQUID's V-Phi (voltage-flux) and I-V characteristics which has proven valuable in evaluating and improving various SQUID readout methods. The simulation of the SQUID is based on fitting of previously acquired data from either a real or a modeled device using the Fourier transform of the V-Phi curve. This method does not predict SQUID behavior, but rather is a way of replicating a known behavior efficiently with portability into various simulation programs such as SPICE. The authors discuss the methods used to simulate the SQUID and the flux-locking control electronics, and present specific examples of this approach. Results include an estimate of the slew rate and linearity of a simple flux-locked loop using a characterized dc SQUID.

  19. Haptic interface of the KAIST-Ewha colonoscopy simulator II.

    PubMed

    Woo, Hyun Soo; Kim, Woo Seok; Ahn, Woojin; Lee, Doo Yong; Yi, Sun Young

    2008-11-01

    This paper presents an improved haptic interface for the Korea Advanced Institute of Science and Technology Ewha Colonoscopy Simulator II. The haptic interface enables the distal portion of the colonoscope to be freely bent while guaranteeing sufficient workspace and reflective forces for colonoscopy simulation. Its force-torque sensor measures the profiles of the user. Manipulation of the colonoscope tip is monitored by four deflection sensors and triggers computations to render accurate graphic images corresponding to the rotation of the angle knob. Tack sensors are attached to the valve-actuation buttons of the colonoscope to simulate air injection or suction as well as the corresponding deformation of the colon. A survey study for face validation was conducted, and the result shows that the developed haptic interface provides realistic haptic feedback for colonoscopy simulations.

  20. Dislocation dynamics simulations of plasticity at small scales

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zhou, Caizhi

    2010-01-01

    As metallic structures and devices are being created on a dimension comparable to the length scales of the underlying dislocation microstructures, the mechanical properties of them change drastically. Since such small structures are increasingly common in modern technologies, there is an emergent need to understand the critical roles of elasticity, plasticity, and fracture in small structures. Dislocation dynamics (DD) simulations, in which the dislocations are the simulated entities, offer a way to extend length scales beyond those of atomistic simulations and the results from DD simulations can be directly compared with the micromechanical tests. The primary objective of this researchmore » is to use 3-D DD simulations to study the plastic deformation of nano- and micro-scale materials and understand the correlation between dislocation motion, interactions and the mechanical response. Specifically, to identify what critical events (i.e., dislocation multiplication, cross-slip, storage, nucleation, junction and dipole formation, pinning etc.) determine the deformation response and how these change from bulk behavior as the system decreases in size and correlate and improve our current knowledge of bulk plasticity with the knowledge gained from the direct observations of small-scale plasticity. Our simulation results on single crystal micropillars and polycrystalline thin films can march the experiment results well and capture the essential features in small-scale plasticity. Furthermore, several simple and accurate models have been developed following our simulation results and can reasonably predict the plastic behavior of small scale materials.« less

  1. Successional stage of biological soil crusts: an accurate indicator of ecohydrological condition

    USGS Publications Warehouse

    Belnap, Jayne; Wilcox, Bradford P.; Van Scoyoc, Matthew V.; Phillips, Susan L.

    2013-01-01

    Biological soil crusts are a key component of many dryland ecosystems. Following disturbance, biological soil crusts will recover in stages. Recently, a simple classification of these stages has been developed, largely on the basis of external features of the crusts, which reflects their level of development (LOD). The classification system has six LOD classes, from low (1) to high (6). To determine whether the LOD of a crust is related to its ecohydrological function, we used rainfall simulation to evaluate differences in infiltration, runoff, and erosion among crusts in the various LODs, across a range of soil depths and with different wetting pre-treatments. We found large differences between the lowest and highest LODs, with runoff and erosion being greatest from the lowest LOD. Under dry antecedent conditions, about 50% of the water applied ran off the lowest LOD plots, whereas less than 10% ran off the plots of the two highest LODs. Similarly, sediment loss was 400 g m-2 from the lowest LOD and almost zero from the higher LODs. We scaled up the results from these simulations using the Rangeland Hydrology and Erosion Model. Modelling results indicate that erosion increases dramatically as slope length and gradient increase, especially beyond the threshold values of 10 m for slope length and 10% for slope gradient. Our findings confirm that the LOD classification is a quick, easy, nondestructive, and accurate index of hydrological condition and should be incorporated in field and modelling assessments of ecosystem health.

  2. Accurate Simulation of MPPT Methods Performance When Applied to Commercial Photovoltaic Panels

    PubMed Central

    2015-01-01

    A new, simple, and quick-calculation methodology to obtain a solar panel model, based on the manufacturers' datasheet, to perform MPPT simulations, is described. The method takes into account variations on the ambient conditions (sun irradiation and solar cells temperature) and allows fast MPPT methods comparison or their performance prediction when applied to a particular solar panel. The feasibility of the described methodology is checked with four different MPPT methods applied to a commercial solar panel, within a day, and under realistic ambient conditions. PMID:25874262

  3. Accurate simulation of MPPT methods performance when applied to commercial photovoltaic panels.

    PubMed

    Cubas, Javier; Pindado, Santiago; Sanz-Andrés, Ángel

    2015-01-01

    A new, simple, and quick-calculation methodology to obtain a solar panel model, based on the manufacturers' datasheet, to perform MPPT simulations, is described. The method takes into account variations on the ambient conditions (sun irradiation and solar cells temperature) and allows fast MPPT methods comparison or their performance prediction when applied to a particular solar panel. The feasibility of the described methodology is checked with four different MPPT methods applied to a commercial solar panel, within a day, and under realistic ambient conditions.

  4. Non-conforming finite-element formulation for cardiac electrophysiology: an effective approach to reduce the computation time of heart simulations without compromising accuracy

    NASA Astrophysics Data System (ADS)

    Hurtado, Daniel E.; Rojas, Guillermo

    2018-04-01

    Computer simulations constitute a powerful tool for studying the electrical activity of the human heart, but computational effort remains prohibitively high. In order to recover accurate conduction velocities and wavefront shapes, the mesh size in linear element (Q1) formulations cannot exceed 0.1 mm. Here we propose a novel non-conforming finite-element formulation for the non-linear cardiac electrophysiology problem that results in accurate wavefront shapes and lower mesh-dependance in the conduction velocity, while retaining the same number of global degrees of freedom as Q1 formulations. As a result, coarser discretizations of cardiac domains can be employed in simulations without significant loss of accuracy, thus reducing the overall computational effort. We demonstrate the applicability of our formulation in biventricular simulations using a coarse mesh size of ˜ 1 mm, and show that the activation wave pattern closely follows that obtained in fine-mesh simulations at a fraction of the computation time, thus improving the accuracy-efficiency trade-off of cardiac simulations.

  5. Time-dependent broken-symmetry density functional theory simulation of the optical response of entangled paramagnetic defects: Color centers in lithium fluoride

    NASA Astrophysics Data System (ADS)

    Janesko, Benjamin G.

    2018-02-01

    Parameter-free atomistic simulations of entangled solid-state paramagnetic defects may aid in the rational design of devices for quantum information science. This work applies time-dependent density functional theory (TDDFT) embedded-cluster simulations to a prototype entangled-defect system, namely two adjacent singlet-coupled F color centers in lithium fluoride. TDDFT calculations accurately reproduce the experimental visible absorption of both isolated and coupled F centers. The most accurate results are obtained by combining spin symmetry breaking to simulate strong correlation, a large fraction of exact (Hartree-Fock-like) exchange to minimize the defect electrons' self-interaction error, and a standard semilocal approximation for dynamical correlations between the defect electrons and the surrounding ionic lattice. These results motivate application of two-reference correlated ab initio approximations to the M-center, and application of TDDFT in parameter-free simulations of more complex entangled paramagnetic defect architectures.

  6. Accurate and efficient integration for molecular dynamics simulations at constant temperature and pressure

    NASA Astrophysics Data System (ADS)

    Lippert, Ross A.; Predescu, Cristian; Ierardi, Douglas J.; Mackenzie, Kenneth M.; Eastwood, Michael P.; Dror, Ron O.; Shaw, David E.

    2013-10-01

    In molecular dynamics simulations, control over temperature and pressure is typically achieved by augmenting the original system with additional dynamical variables to create a thermostat and a barostat, respectively. These variables generally evolve on timescales much longer than those of particle motion, but typical integrator implementations update the additional variables along with the particle positions and momenta at each time step. We present a framework that replaces the traditional integration procedure with separate barostat, thermostat, and Newtonian particle motion updates, allowing thermostat and barostat updates to be applied infrequently. Such infrequent updates provide a particularly substantial performance advantage for simulations parallelized across many computer processors, because thermostat and barostat updates typically require communication among all processors. Infrequent updates can also improve accuracy by alleviating certain sources of error associated with limited-precision arithmetic. In addition, separating the barostat, thermostat, and particle motion update steps reduces certain truncation errors, bringing the time-average pressure closer to its target value. Finally, this framework, which we have implemented on both general-purpose and special-purpose hardware, reduces software complexity and improves software modularity.

  7. Breathing metabolic simulator

    NASA Technical Reports Server (NTRS)

    Bartlett, R. G.; Hendricks, C. M.; Morison, W. B.

    1972-01-01

    The development of a breathing metabolic simulator (BMS) is reported. This BMS simulates all of the breathing and metabolic parameters required for complete evaluation and test of life support and resuscitation equipment. It is also useful for calibrating and validating mechanical and gaseous pulmonary function test procedures. Breathing rate, breathing depth, breath velocity contour, oxygen uptake, and carbon dioxide release are all variable over wide ranges simulating conditions from sleep to hard work with respiratory exchange ratios covering the range from hypoventilation. In addition, all of these parameters are remotely controllable to facilitate use of the device in hostile or remote environments. The exhaled breath is also maintained at body temperature and a high humidity. The simulation is accurate to the extent of having a variable functional residual capacity independent of other parameters.

  8. A Comparative Study of Simulated and Measured Gear-Flap Flow Interaction

    NASA Technical Reports Server (NTRS)

    Khorrami, Mehdi R.; Mineck, Raymond E.; Yao, Chungsheng; Jenkins, Luther N.; Fares, Ehab

    2015-01-01

    The ability of two CFD solvers to accurately characterize the transient, complex, interacting flowfield asso-ciated with a realistic gear-flap configuration is assessed via comparison of simulated flow with experimental measurements. The simulated results, obtained with NASA's FUN3D and Exa's PowerFLOW® for a high-fidelity, 18% scale semi-span model of a Gulfstream aircraft in landing configuration (39 deg flap deflection, main landing gear on and off) are compared to two-dimensional and stereo particle image velocimetry measurements taken within the gear-flap flow interaction region during wind tunnel tests of the model. As part of the bench-marking process, direct comparisons of the mean and fluctuating velocity fields are presented in the form of planar contour plots and extracted line profiles at measurement planes in various orientations stationed in the main gear wake. The measurement planes in the vicinity of the flap side edge and downstream of the flap trailing edge are used to highlight the effects of gear presence on tip vortex development and the ability of the computational tools to accurately capture such effects. The present study indicates that both computed datasets contain enough detail to construct a relatively accurate depiction of gear-flap flow interaction. Such a finding increases confidence in using the simulated volumetric flow solutions to examine the behavior of pertinent aer-odynamic mechanisms within the gear-flap interaction zone.

  9. Accurate condensed history Monte Carlo simulation of electron transport. II. Application to ion chamber response simulations.

    PubMed

    Kawrakow, I

    2000-03-01

    In this report the condensed history Monte Carlo simulation of electron transport and its application to the calculation of ion chamber response is discussed. It is shown that the strong step-size dependencies and lack of convergence to the correct answer previously observed are the combined effect of the following artifacts caused by the EGS4/PRESTA implementation of the condensed history technique: dose underprediction due to PRESTA'S pathlength correction and lateral correlation algorithm; dose overprediction due to the boundary crossing algorithm; dose overprediction due to the breakdown of the fictitious cross section method for sampling distances between discrete interaction and the inaccurate evaluation of energy-dependent quantities. These artifacts are now understood quantitatively and analytical expressions for their effect are given.

  10. Ultrasonic Phased Array Inspection Simulations of Welded Components at NASA

    NASA Technical Reports Server (NTRS)

    Roth, D. J.; Tokars, R. P.; Martin, R. E.; Rauser, R. W.; Aldrin, J. C.; Schumacher, E. J.

    2009-01-01

    Comprehensive and accurate inspections of welded components have become of increasing importance as NASA develops new hardware such as Ares rocket segments for future exploration missions. Simulation and modeling will play an increased role in the future for nondestructive evaluation in order to better understand the physics of the inspection process and help explain the experimental results. It will also help to prove or disprove the feasibility for an inspection method or inspection scenario, help optimize inspections, and allow to a first approximation limits of detectability. This study presents simulation and experimental results for an ultrasonic phased array inspection of a critical welded structure important for NASA future exploration vehicles.

  11. Fractal propagation method enables realistic optical microscopy simulations in biological tissues

    PubMed Central

    Glaser, Adam K.; Chen, Ye; Liu, Jonathan T.C.

    2017-01-01

    Current simulation methods for light transport in biological media have limited efficiency and realism when applied to three-dimensional microscopic light transport in biological tissues with refractive heterogeneities. We describe here a technique which combines a beam propagation method valid for modeling light transport in media with weak variations in refractive index, with a fractal model of refractive index turbulence. In contrast to standard simulation methods, this fractal propagation method (FPM) is able to accurately and efficiently simulate the diffraction effects of focused beams, as well as the microscopic heterogeneities present in tissue that result in scattering, refractive beam steering, and the aberration of beam foci. We validate the technique and the relationship between the FPM model parameters and conventional optical parameters used to describe tissues, and also demonstrate the method’s flexibility and robustness by examining the steering and distortion of Gaussian and Bessel beams in tissue with comparison to experimental data. We show that the FPM has utility for the accurate investigation and optimization of optical microscopy methods such as light-sheet, confocal, and nonlinear microscopy. PMID:28983499

  12. Large eddy simulation of shock train in a convergent-divergent nozzle

    NASA Astrophysics Data System (ADS)

    Mousavi, Seyed Mahmood; Roohi, Ehsan

    2014-12-01

    This paper discusses the suitability of the Large Eddy Simulation (LES) turbulence modeling for the accurate simulation of the shock train phenomena in a convergent-divergent nozzle. To this aim, we selected an experimentally tested geometry and performed LES simulation for the same geometry. The structure and pressure recovery inside the shock train in the nozzle captured by LES model are compared with the experimental data, analytical expressions and numerical solutions obtained using various alternative turbulence models, including k-ɛ RNG, k-ω SST, and Reynolds stress model (RSM). Comparing with the experimental data, we observed that the LES solution not only predicts the "locations of the first shock" precisely, but also its results are quite accurate before and after the shock train. After validating the LES solution, we investigate the effects of the inlet total pressure on the shock train starting point and length. The effects of changes in the back pressure, nozzle inlet angle (NIA) and wall temperature on the behavior of the shock train are investigated by details.

  13. On the importance of an accurate representation of the initial state of the system in classical dynamics simulations

    NASA Astrophysics Data System (ADS)

    García-Vela, A.

    2000-05-01

    A definition of a quantum-type phase-space distribution is proposed in order to represent the initial state of the system in a classical dynamics simulation. The central idea is to define an initial quantum phase-space state of the system as the direct product of the coordinate and momentum representations of the quantum initial state. The phase-space distribution is then obtained as the square modulus of this phase-space state. The resulting phase-space distribution closely resembles the quantum nature of the system initial state. The initial conditions are sampled with the distribution, using a grid technique in phase space. With this type of sampling the distribution of initial conditions reproduces more faithfully the shape of the original phase-space distribution. The method is applied to generate initial conditions describing the three-dimensional state of the Ar-HCl cluster prepared by ultraviolet excitation. The photodissociation dynamics is simulated by classical trajectories, and the results are compared with those of a wave packet calculation. The classical and quantum descriptions are found in good agreement for those dynamical events less subject to quantum effects. The classical result fails to reproduce the quantum mechanical one for the more strongly quantum features of the dynamics. The properties and applicability of the phase-space distribution and the sampling technique proposed are discussed.

  14. Open surgical simulation--a review.

    PubMed

    Davies, Jennifer; Khatib, Manaf; Bello, Fernando

    2013-01-01

    Surgical simulation has benefited from a surge in interest over the last decade as a result of the increasing need for a change in the traditional apprentice model of teaching surgery. However, despite the recent interest in surgical simulation as an adjunct to surgical training, most of the literature focuses on laparoscopic, endovascular, and endoscopic surgical simulation with very few studies scrutinizing open surgical simulation and its benefit to surgical trainees. The aim of this review is to summarize the current standard of available open surgical simulators and to review the literature on the benefits of open surgical simulation. Open surgical simulators currently used include live animals, cadavers, bench models, virtual reality, and software-based computer simulators. In the current literature, there are 18 different studies (including 6 randomized controlled trials and 12 cohort studies) investigating the efficacy of open surgical simulation using live animal, bench, and cadaveric models in many surgical specialties including general, cardiac, trauma, vascular, urologic, and gynecologic surgery. The current open surgical simulation studies show, in general, a significant benefit of open surgical simulation in developing the surgical skills of surgical trainees. However, these studies have their limitations including a low number of participants, variable assessment standards, and a focus on short-term results often with no follow-up assessment. The skills needed for open surgical procedures are the essential basis that a surgical trainee needs to grasp before attempting more technical procedures such as laparoscopic procedures. In this current climate of medical practice with reduced hours of surgical exposure for trainees and where the patient's safety and outcome is key, open surgical simulation is a promising adjunct to modern surgical training, filling the void between surgeons being trained in a technique and a surgeon achieving fluency in that

  15. Correlation of chemical shifts predicted by molecular dynamics simulations for partially disordered proteins.

    PubMed

    Karp, Jerome M; Eryilmaz, Ertan; Erylimaz, Ertan; Cowburn, David

    2015-01-01

    There has been a longstanding interest in being able to accurately predict NMR chemical shifts from structural data. Recent studies have focused on using molecular dynamics (MD) simulation data as input for improved prediction. Here we examine the accuracy of chemical shift prediction for intein systems, which have regions of intrinsic disorder. We find that using MD simulation data as input for chemical shift prediction does not consistently improve prediction accuracy over use of a static X-ray crystal structure. This appears to result from the complex conformational ensemble of the disordered protein segments. We show that using accelerated molecular dynamics (aMD) simulations improves chemical shift prediction, suggesting that methods which better sample the conformational ensemble like aMD are more appropriate tools for use in chemical shift prediction for proteins with disordered regions. Moreover, our study suggests that data accurately reflecting protein dynamics must be used as input for chemical shift prediction in order to correctly predict chemical shifts in systems with disorder.

  16. Mars Tumbleweed Simulation Using Singular Perturbation Theory

    NASA Technical Reports Server (NTRS)

    Raiszadeh, Behzad; Calhoun, Phillip

    2005-01-01

    The Mars Tumbleweed is a new surface rover concept that utilizes Martian winds as the primary source of mobility. Several designs have been proposed for the Mars Tumbleweed, all using aerodynamic drag to generate force for traveling about the surface. The Mars Tumbleweed, in its deployed configuration, must be large and lightweight to provide the ratio of drag force to rolling resistance necessary to initiate motion from the Martian surface. This paper discusses the dynamic simulation details of a candidate Tumbleweed design. The dynamic simulation model must properly evaluate and characterize the motion of the tumbleweed rover to support proper selection of system design parameters. Several factors, such as model flexibility, simulation run times, and model accuracy needed to be considered in modeling assumptions. The simulation was required to address the flexibility of the rover and its interaction with the ground, and properly evaluate its mobility. Proper assumptions needed to be made such that the simulated dynamic motion is accurate and realistic while not overly burdened by long simulation run times. This paper also shows results that provided reasonable correlation between the simulation and a drop/roll test of a tumbleweed prototype.

  17. Quench simulation results for a 12-T twin-aperture dipole magnet

    NASA Astrophysics Data System (ADS)

    Cheng, Da; Salmi, Tiina; Xu, Qingjin; Peng, Quanling; Wang, Chengtao; Wang, Yingzhe; Kong, Ershuai; Zhang, Kai

    2018-06-01

    A 12-T twin-aperture subscale dipole magnet is being developed for SPPC pre-study at the Institute of High Energy Physics (IHEP). The magnet is comprised of 6 double-pancake coils which include 2 Nb3Sn coils and 4 NbTi coils. As the stored energy of the magnet is 0.452 MJ and the operation margin is only about 20% at 4.2 K, a quick and effective quench protection system is necessary during the test of this high field magnet. For the design of the quench protection system, attention was not only paid to the hotspot temperature and terminal voltage, but also the temperature gradient during the quench process due to the poor mechanical characteristics of the Nb3Sn cables. With the adiabatic analysis, numerical simulation and the finite element simulation, an optimized protection method is adopted, which contains a dump resistor and quench heaters. In this paper, the results of adiabatic analysis and quench simulation, such as current decay, hot-spot temperature and terminal voltage are presented in details.

  18. Generating Facial Expressions Using an Anatomically Accurate Biomechanical Model.

    PubMed

    Wu, Tim; Hung, Alice; Mithraratne, Kumar

    2014-11-01

    This paper presents a computational framework for modelling the biomechanics of human facial expressions. A detailed high-order (Cubic-Hermite) finite element model of the human head was constructed using anatomical data segmented from magnetic resonance images. The model includes a superficial soft-tissue continuum consisting of skin, the subcutaneous layer and the superficial Musculo-Aponeurotic system. Embedded within this continuum mesh, are 20 pairs of facial muscles which drive facial expressions. These muscles were treated as transversely-isotropic and their anatomical geometries and fibre orientations were accurately depicted. In order to capture the relative composition of muscles and fat, material heterogeneity was also introduced into the model. Complex contact interactions between the lips, eyelids, and between superficial soft tissue continuum and deep rigid skeletal bones were also computed. In addition, this paper investigates the impact of incorporating material heterogeneity and contact interactions, which are often neglected in similar studies. Four facial expressions were simulated using the developed model and the results were compared with surface data obtained from a 3D structured-light scanner. Predicted expressions showed good agreement with the experimental data.

  19. Accurate recapture identification for genetic mark–recapture studies with error-tolerant likelihood-based match calling and sample clustering

    USGS Publications Warehouse

    Sethi, Suresh; Linden, Daniel; Wenburg, John; Lewis, Cara; Lemons, Patrick R.; Fuller, Angela K.; Hare, Matthew P.

    2016-01-01

    Error-tolerant likelihood-based match calling presents a promising technique to accurately identify recapture events in genetic mark–recapture studies by combining probabilities of latent genotypes and probabilities of observed genotypes, which may contain genotyping errors. Combined with clustering algorithms to group samples into sets of recaptures based upon pairwise match calls, these tools can be used to reconstruct accurate capture histories for mark–recapture modelling. Here, we assess the performance of a recently introduced error-tolerant likelihood-based match-calling model and sample clustering algorithm for genetic mark–recapture studies. We assessed both biallelic (i.e. single nucleotide polymorphisms; SNP) and multiallelic (i.e. microsatellite; MSAT) markers using a combination of simulation analyses and case study data on Pacific walrus (Odobenus rosmarus divergens) and fishers (Pekania pennanti). A novel two-stage clustering approach is demonstrated for genetic mark–recapture applications. First, repeat captures within a sampling occasion are identified. Subsequently, recaptures across sampling occasions are identified. The likelihood-based matching protocol performed well in simulation trials, demonstrating utility for use in a wide range of genetic mark–recapture studies. Moderately sized SNP (64+) and MSAT (10–15) panels produced accurate match calls for recaptures and accurate non-match calls for samples from closely related individuals in the face of low to moderate genotyping error. Furthermore, matching performance remained stable or increased as the number of genetic markers increased, genotyping error notwithstanding.

  20. Airflow Hazard Visualization for Helicopter Pilots: Flight Simulation Study Results

    NASA Technical Reports Server (NTRS)

    Aragon, Cecilia R.; Long, Kurtis R.

    2005-01-01

    Airflow hazards such as vortices or low level wind shear have been identified as a primary contributing factor in many helicopter accidents. US Navy ships generate airwakes over their decks, creating potentially hazardous conditions for shipboard rotorcraft launch and recovery. Recent sensor developments may enable the delivery of airwake data to the cockpit, where visualizing the hazard data may improve safety and possibly extend ship/helicopter operational envelopes. A prototype flight-deck airflow hazard visualization system was implemented on a high-fidelity rotorcraft flight dynamics simulator. Experienced helicopter pilots, including pilots from all five branches of the military, participated in a usability study of the system. Data was collected both objectively from the simulator and subjectively from post-test questionnaires. Results of the data analysis are presented, demonstrating a reduction in crash rate and other trends that illustrate the potential of airflow hazard visualization to improve flight safety.

  1. Mechanics of Nanostructured Porous Silica Aerogel Resulting from Molecular Dynamics Simulations.

    PubMed

    Patil, Sandeep P; Rege, Ameya; Sagardas; Itskov, Mikhail; Markert, Bernd

    2017-06-08

    Silica aerogels are nanostructured, highly porous solids which have, compared to other soft materials, special mechanical properties, such as extremely low densities. In the present work, the mechanical properties of silica aerogels have been studied with molecular dynamics (MD) simulations. The aerogel model of 192 000 atoms was created with different densities by direct expansion of β-cristobalite and subjected to series of thermal treatments. Because of the high number of atoms and improved modeling procedure, the proposed model was more stable and showed significant improvement in the smoothness of the resulting stress-strain curves in comparison to previous models. Resulting Poisson's ratio values for silica aerogels lie between 0.18 and 0.21. The elasticity moduli display a power law dependence on the density, with the exponent estimated to be 3.25 ± 0.1. These results are in excellent agreement with reported experimental as well as computational values. Two different deformation scenarios have been discussed. Under tension, the low-density aerogels were more ductile while the denser ones behaved rather brittle. In the compression simulations of low-density aerogels, deformation occurred without significant increase in stress. However, for high densities, atoms offer a higher resistance to the deformation, resulting in a more stiff response and an early densification. The relationship between different mechanical parameters has been found in the cyclic loading simulations of silica aerogels with different densities. The residual strain grows linearly with the applied strain (≥0.16) and can be approximated by a phenomenological relation ϵ p = 1.09ϵ max - 0.12. The dissipation energy also varies with the compressive strain according to a power law with an exponent of 2.31 ± 0.07. Moreover, the tangent modulus under cyclic loading varies exponentially with the compressive strain. The results of the study pave the way toward multiscale modeling of silica

  2. DoctorEye: A clinically driven multifunctional platform, for accurate processing of tumors in medical images.

    PubMed

    Skounakis, Emmanouil; Farmaki, Christina; Sakkalis, Vangelis; Roniotis, Alexandros; Banitsas, Konstantinos; Graf, Norbert; Marias, Konstantinos

    2010-01-01

    This paper presents a novel, open access interactive platform for 3D medical image analysis, simulation and visualization, focusing in oncology images. The platform was developed through constant interaction and feedback from expert clinicians integrating a thorough analysis of their requirements while having an ultimate goal of assisting in accurately delineating tumors. It allows clinicians not only to work with a large number of 3D tomographic datasets but also to efficiently annotate multiple regions of interest in the same session. Manual and semi-automatic segmentation techniques combined with integrated correction tools assist in the quick and refined delineation of tumors while different users can add different components related to oncology such as tumor growth and simulation algorithms for improving therapy planning. The platform has been tested by different users and over large number of heterogeneous tomographic datasets to ensure stability, usability, extensibility and robustness with promising results. the platform, a manual and tutorial videos are available at: http://biomodeling.ics.forth.gr. it is free to use under the GNU General Public License.

  3. Simulation of DNAPL migration in heterogeneous translucent porous media based on estimation of representative elementary volume

    NASA Astrophysics Data System (ADS)

    Wu, Ming; Wu, Jianfeng; Wu, Jichun

    2017-10-01

    When the dense nonaqueous phase liquid (DNAPL) comes into the subsurface environment, its migration behavior is crucially affected by the permeability and entry pressure of subsurface porous media. A prerequisite for accurately simulating DNAPL migration in aquifers is then the determination of the permeability, entry pressure and corresponding representative elementary volumes (REV) of porous media. However, the permeability, entry pressure and corresponding representative elementary volumes (REV) are hard to determine clearly. This study utilizes the light transmission micro-tomography (LTM) method to determine the permeability and entry pressure of two dimensional (2D) translucent porous media and integrates the LTM with a criterion of relative gradient error to quantify the corresponding REV of porous media. As a result, the DNAPL migration in porous media might be accurately simulated by discretizing the model at the REV dimension. To validate the quantification methods, an experiment of perchloroethylene (PCE) migration is conducted in a two-dimensional heterogeneous bench-scale aquifer cell. Based on the quantifications of permeability, entry pressure and REV scales of 2D porous media determined by the LTM and relative gradient error, different models with different sizes of discretization grid are used to simulate the PCE migration. It is shown that the model based on REV size agrees well with the experimental results over the entire migration period including calibration, verification and validation processes. This helps to better understand the microstructures of porous media and achieve accurately simulating DNAPL migration in aquifers based on the REV estimation.

  4. Numerical simulations of hydrothermal circulation resulting from basalt intrusions in a buried spreading center

    USGS Publications Warehouse

    Fisher, A.T.; Narasimhan, T.N.

    1991-01-01

    A two-dimensional, one by two-kilometer section through the seafloor was simulated with a numerical model to investigate coupled fluid and heat flow resulting from basalt intrusions in a buried spreading center. Boundary and initial conditions and physical properties of both sediments and basalt were constrained by field surveys and drilling in the Guaymas Basin, central Gulf of California. Parametric variations in these studies included sediment and basalt permeability, anisotropy in sediment permeability, and the size of heat sources. Faults were introduced through new intrusions both before and after cooling.Background heat input caused fluid convection at velocities ≤ 3 cm a−1 through shallow sediments. Eighty to ninety percent of the heat introduced at the base of the simulations exited through the upper, horizontal surface, even when the vertical boundaries were made permeable to fluid flow. The simulated injection of a 25–50 m thick basalt intrusion at a depth of 250 m resulted in about 10 yr of pore-fluid expulsion through the sea-floor in all cases, leaving the sediments above the intrusions strongly underpressured. A longer period of fluid recharge followed, sometimes accompanied by reductions in total seafloor heat output of 10% in comparison to pre-intrusion values. Additional discharge-recharge events were dispersed chaotically through the duration of the cooling period. These cycles in heat and fluid flow resulted from the response of the simulated system to a thermodynamic shock, the sudden emplacement of a large heat source, and not from mechanical displacement of sediments and pore fluids, which was not simulated.Water/rock mass ratios calculated from numerical simulations are in good agreement with geochemical estimates from materials recovered from the Guaymas Basin, assuming a bulk basalt permeability value of at least 10−17 m2/(10−2 mD). The addition of faults through intrusions and sediments in these simulations did not facilitate

  5. Accurate determination of the geoid undulation N

    NASA Astrophysics Data System (ADS)

    Lambrou, E.; Pantazis, G.; Balodimos, D. D.

    2003-04-01

    This work is related to the activities of the CERGOP Study Group Geodynamics of the Balkan Peninsula, presents a method for the determination of the variation ΔN and, indirectly, of the geoid undulation N with an accuracy of a few millimeters. It is based on the determination of the components xi, eta of the deflection of the vertical using modern geodetic instruments (digital total station and GPS receiver). An analysis of the method is given. Accuracy of the order of 0.01arcsec in the estimated values of the astronomical coordinates Φ and Δ is achieved. The result of applying the proposed method in an area around Athens is presented. In this test application, a system is used which takes advantage of the capabilities of modern geodetic instruments. The GPS receiver permits the determination of the geodetic coordinates at a chosen reference system and, in addition, provides accurate timing information. The astronomical observations are performed through a digital total station with electronic registering of angles and time. The required accuracy of the values of the coordinates is achieved in about four hours of fieldwork. In addition, the instrumentation is lightweight, easily transportable and can be setup in the field very quickly. Combined with a stream-lined data reduction procedure and the use of up-to-date astrometric data, the values of the components xi, eta of the deflection of the vertical and, eventually, the changes ΔN of the geoid undulation are determined easily and accurately. In conclusion, this work demonstrates that it is quite feasible to create an accurate map of the geoid undulation, especially in areas that present large geoid variations and other methods are not capable to give accurate and reliable results.

  6. ACCURATE CHEMICAL MASTER EQUATION SOLUTION USING MULTI-FINITE BUFFERS

    PubMed Central

    Cao, Youfang; Terebus, Anna; Liang, Jie

    2016-01-01

    The discrete chemical master equation (dCME) provides a fundamental framework for studying stochasticity in mesoscopic networks. Because of the multi-scale nature of many networks where reaction rates have large disparity, directly solving dCMEs is intractable due to the exploding size of the state space. It is important to truncate the state space effectively with quantified errors, so accurate solutions can be computed. It is also important to know if all major probabilistic peaks have been computed. Here we introduce the Accurate CME (ACME) algorithm for obtaining direct solutions to dCMEs. With multi-finite buffers for reducing the state space by O(n!), exact steady-state and time-evolving network probability landscapes can be computed. We further describe a theoretical framework of aggregating microstates into a smaller number of macrostates by decomposing a network into independent aggregated birth and death processes, and give an a priori method for rapidly determining steady-state truncation errors. The maximal sizes of the finite buffers for a given error tolerance can also be pre-computed without costly trial solutions of dCMEs. We show exactly computed probability landscapes of three multi-scale networks, namely, a 6-node toggle switch, 11-node phage-lambda epigenetic circuit, and 16-node MAPK cascade network, the latter two with no known solutions. We also show how probabilities of rare events can be computed from first-passage times, another class of unsolved problems challenging for simulation-based techniques due to large separations in time scales. Overall, the ACME method enables accurate and efficient solutions of the dCME for a large class of networks. PMID:27761104

  7. Accurate chemical master equation solution using multi-finite buffers

    DOE PAGES

    Cao, Youfang; Terebus, Anna; Liang, Jie

    2016-06-29

    Here, the discrete chemical master equation (dCME) provides a fundamental framework for studying stochasticity in mesoscopic networks. Because of the multiscale nature of many networks where reaction rates have a large disparity, directly solving dCMEs is intractable due to the exploding size of the state space. It is important to truncate the state space effectively with quantified errors, so accurate solutions can be computed. It is also important to know if all major probabilistic peaks have been computed. Here we introduce the accurate CME (ACME) algorithm for obtaining direct solutions to dCMEs. With multifinite buffers for reducing the state spacemore » by $O(n!)$, exact steady-state and time-evolving network probability landscapes can be computed. We further describe a theoretical framework of aggregating microstates into a smaller number of macrostates by decomposing a network into independent aggregated birth and death processes and give an a priori method for rapidly determining steady-state truncation errors. The maximal sizes of the finite buffers for a given error tolerance can also be precomputed without costly trial solutions of dCMEs. We show exactly computed probability landscapes of three multiscale networks, namely, a 6-node toggle switch, 11-node phage-lambda epigenetic circuit, and 16-node MAPK cascade network, the latter two with no known solutions. We also show how probabilities of rare events can be computed from first-passage times, another class of unsolved problems challenging for simulation-based techniques due to large separations in time scales. Overall, the ACME method enables accurate and efficient solutions of the dCME for a large class of networks.« less

  8. Accurate chemical master equation solution using multi-finite buffers

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Cao, Youfang; Terebus, Anna; Liang, Jie

    Here, the discrete chemical master equation (dCME) provides a fundamental framework for studying stochasticity in mesoscopic networks. Because of the multiscale nature of many networks where reaction rates have a large disparity, directly solving dCMEs is intractable due to the exploding size of the state space. It is important to truncate the state space effectively with quantified errors, so accurate solutions can be computed. It is also important to know if all major probabilistic peaks have been computed. Here we introduce the accurate CME (ACME) algorithm for obtaining direct solutions to dCMEs. With multifinite buffers for reducing the state spacemore » by $O(n!)$, exact steady-state and time-evolving network probability landscapes can be computed. We further describe a theoretical framework of aggregating microstates into a smaller number of macrostates by decomposing a network into independent aggregated birth and death processes and give an a priori method for rapidly determining steady-state truncation errors. The maximal sizes of the finite buffers for a given error tolerance can also be precomputed without costly trial solutions of dCMEs. We show exactly computed probability landscapes of three multiscale networks, namely, a 6-node toggle switch, 11-node phage-lambda epigenetic circuit, and 16-node MAPK cascade network, the latter two with no known solutions. We also show how probabilities of rare events can be computed from first-passage times, another class of unsolved problems challenging for simulation-based techniques due to large separations in time scales. Overall, the ACME method enables accurate and efficient solutions of the dCME for a large class of networks.« less

  9. Time-Spectral Rotorcraft Simulations on Overset Grids

    NASA Technical Reports Server (NTRS)

    Leffell, Joshua I.; Murman, Scott M.; Pulliam, Thomas H.

    2014-01-01

    The Time-Spectral method is derived as a Fourier collocation scheme and applied to NASA's overset Reynolds-averaged Navier-Stokes (RANS) solver OVERFLOW. The paper outlines the Time-Spectral OVERFLOWimplementation. Successful low-speed laminar plunging NACA 0012 airfoil simulations demonstrate the capability of the Time-Spectral method to resolve the highly-vortical wakes typical of more expensive three-dimensional rotorcraft configurations. Dealiasing, in the form of spectral vanishing viscosity (SVV), facilitates the convergence of Time-Spectral calculations of high-frequency flows. Finally, simulations of the isolated V-22 Osprey tiltrotor for both hover and forward (edgewise) flight validate the three-dimensional Time-Spectral OVERFLOW implementation. The Time-Spectral hover simulation matches the time-accurate calculation using a single harmonic. Significantly more temporal modes and SVV are required to accurately compute the forward flight case because of its more active, high-frequency wake.

  10. Accurate artificial boundary conditions for the semi-discretized linear Schrödinger and heat equations on rectangular domains

    NASA Astrophysics Data System (ADS)

    Ji, Songsong; Yang, Yibo; Pang, Gang; Antoine, Xavier

    2018-01-01

    The aim of this paper is to design some accurate artificial boundary conditions for the semi-discretized linear Schrödinger and heat equations in rectangular domains. The Laplace transform in time and discrete Fourier transform in space are applied to get Green's functions of the semi-discretized equations in unbounded domains with single-source. An algorithm is given to compute these Green's functions accurately through some recurrence relations. Furthermore, the finite-difference method is used to discretize the reduced problem with accurate boundary conditions. Numerical simulations are presented to illustrate the accuracy of our method in the case of the linear Schrödinger and heat equations. It is shown that the reflection at the corners is correctly eliminated.

  11. Magnetized Mini-Disk Simulations about Binary Black Holes

    NASA Astrophysics Data System (ADS)

    Noble, Scott; Bowen, Dennis B.; d'Ascoli, Stephane; Mewes, Vassilios; Campanelli, Manuela; Krolik, Julian

    2018-01-01

    Accretion disks around supermassive binary black holes offer a rare opportunity to probe the strong-field limit of dynamical gravity by using the ambient matter as a lighthouse. Accurate simulations of these systems using a variety of configurations will be critical to interpreting future observations of them. We have performed the first 3-d general relativistic magnetohydrodynamic simulations of mini-disks about a pair of equal mass black holes in the inspiral regime of their orbit. In this talk, we will present our latest results of 3-d general relativistic magnetohydrodynamic supercomputer simulations of accreting binary black holes during the post-Newtonian inspiral phase of their evolution. The goal of our work is to explore whether these systems provide a unique means to identify and characterize them with electromagnetic observations. We will provide a brief summary of the known electromagnetic signatures, in particular spectra and images obtained from post-process ray-tracing calculations of our simulation data. We will also provide a context for our results and describe our future avenues of exploration.

  12. Geometry and Simulation Results for a Gas Turbine Representative of the Energy Efficient Engine (EEE)

    NASA Technical Reports Server (NTRS)

    Claus, Russell W.; Beach, Tim; Turner, Mark; Hendricks, Eric S.

    2015-01-01

    This paper describes the geometry and simulation results of a gas-turbine engine based on the original EEE engine developed in the 1980s. While the EEE engine was never in production, the technology developed during the program underpins many of the current generation of gas turbine engines. This geometry is being explored as a potential multi-stage turbomachinery test case that may be used to develop technology for virtual full-engine simulation. Simulation results were used to test the validity of each component geometry representation. Results are compared to a zero-dimensional engine model developed from experimental data. The geometry is captured in a series of Initial Graphical Exchange Specification (IGES) files and is available on a supplemental DVD to this report.

  13. High-Alpha Research Vehicle Lateral-Directional Control Law Description, Analyses, and Simulation Results

    NASA Technical Reports Server (NTRS)

    Davidson, John B.; Murphy, Patrick C.; Lallman, Frederick J.; Hoffler, Keith D.; Bacon, Barton J.

    1998-01-01

    This report contains a description of a lateral-directional control law designed for the NASA High-Alpha Research Vehicle (HARV). The HARV is a F/A-18 aircraft modified to include a research flight computer, spin chute, and thrust-vectoring in the pitch and yaw axes. Two separate design tools, CRAFT and Pseudo Controls, were integrated to synthesize the lateral-directional control law. This report contains a description of the lateral-directional control law, analyses, and nonlinear simulation (batch and piloted) results. Linear analysis results include closed-loop eigenvalues, stability margins, robustness to changes in various plant parameters, and servo-elastic frequency responses. Step time responses from nonlinear batch simulation are presented and compared to design guidelines. Piloted simulation task scenarios, task guidelines, and pilot subjective ratings for the various maneuvers are discussed. Linear analysis shows that the control law meets the stability margin guidelines and is robust to stability and control parameter changes. Nonlinear batch simulation analysis shows the control law exhibits good performance and meets most of the design guidelines over the entire range of angle-of-attack. This control law (designated NASA-1A) was flight tested during the Summer of 1994 at NASA Dryden Flight Research Center.

  14. Magnetic Compression Experiment at General Fusion with Simulation Results

    NASA Astrophysics Data System (ADS)

    Dunlea, Carl; Khalzov, Ivan; Hirose, Akira; Xiao, Chijin; Fusion Team, General

    2017-10-01

    The magnetic compression experiment at GF was a repetitive non-destructive test to study plasma physics applicable to Magnetic Target Fusion compression. A spheromak compact torus (CT) is formed with a co-axial gun into a containment region with an hour-glass shaped inner flux conserver, and an insulating outer wall. External coil currents keep the CT off the outer wall (levitation) and then rapidly compress it inwards. The optimal external coil configuration greatly improved both the levitated CT lifetime and the rate of shots with good compressional flux conservation. As confirmed by spectrometer data, the improved levitation field profile reduced plasma impurity levels by suppressing the interaction between plasma and the insulating outer wall during the formation process. We developed an energy and toroidal flux conserving finite element axisymmetric MHD code to study CT formation and compression. The Braginskii MHD equations with anisotropic heat conduction were implemented. To simulate plasma / insulating wall interaction, we couple the vacuum field solution in the insulating region to the full MHD solution in the remainder of the domain. We see good agreement between simulation and experiment results. Partly funded by NSERC and MITACS Accelerate.

  15. Faster Aerodynamic Simulation With Cart3D

    NASA Technical Reports Server (NTRS)

    2003-01-01

    A NASA-developed aerodynamic simulation tool is ensuring the safety of future space operations while providing designers and engineers with an automated, highly accurate computer simulation suite. Cart3D, co-winner of NASA's 2002 Software of the Year award, is the result of over 10 years of research and software development conducted by Michael Aftosmis and Dr. John Melton of Ames Research Center and Professor Marsha Berger of the Courant Institute at New York University. Cart3D offers a revolutionary approach to computational fluid dynamics (CFD), the computer simulation of how fluids and gases flow around an object of a particular design. By fusing technological advancements in diverse fields such as mineralogy, computer graphics, computational geometry, and fluid dynamics, the software provides a new industrial geometry processing and fluid analysis capability with unsurpassed automation and efficiency.

  16. Accurate calculation of conformational free energy differences in explicit water: the confinement-solvation free energy approach.

    PubMed

    Esque, Jeremy; Cecchini, Marco

    2015-04-23

    The calculation of the free energy of conformation is key to understanding the function of biomolecules and has attracted significant interest in recent years. Here, we present an improvement of the confinement method that was designed for use in the context of explicit solvent MD simulations. The development involves an additional step in which the solvation free energy of the harmonically restrained conformers is accurately determined by multistage free energy perturbation simulations. As a test-case application, the newly introduced confinement/solvation free energy (CSF) approach was used to compute differences in free energy between conformers of the alanine dipeptide in explicit water. The results are in excellent agreement with reference calculations based on both converged molecular dynamics and umbrella sampling. To illustrate the general applicability of the method, conformational equilibria of met-enkephalin (5 aa) and deca-alanine (10 aa) in solution were also analyzed. In both cases, smoothly converged free-energy results were obtained in agreement with equilibrium sampling or literature calculations. These results demonstrate that the CSF method may provide conformational free-energy differences of biomolecules with small statistical errors (below 0.5 kcal/mol) and at a moderate computational cost even with a full representation of the solvent.

  17. A physical-based gas-surface interaction model for rarefied gas flow simulation

    NASA Astrophysics Data System (ADS)

    Liang, Tengfei; Li, Qi; Ye, Wenjing

    2018-01-01

    Empirical gas-surface interaction models, such as the Maxwell model and the Cercignani-Lampis model, are widely used as the boundary condition in rarefied gas flow simulations. The accuracy of these models in the prediction of macroscopic behavior of rarefied gas flows is less satisfactory in some cases especially the highly non-equilibrium ones. Molecular dynamics simulation can accurately resolve the gas-surface interaction process at atomic scale, and hence can predict accurate macroscopic behavior. They are however too computationally expensive to be applied in real problems. In this work, a statistical physical-based gas-surface interaction model, which complies with the basic relations of boundary condition, is developed based on the framework of the washboard model. In virtue of its physical basis, this new model is capable of capturing some important relations/trends for which the classic empirical models fail to model correctly. As such, the new model is much more accurate than the classic models, and in the meantime is more efficient than MD simulations. Therefore, it can serve as a more accurate and efficient boundary condition for rarefied gas flow simulations.

  18. Accurate mass measurement: terminology and treatment of data.

    PubMed

    Brenton, A Gareth; Godfrey, A Ruth

    2010-11-01

    High-resolution mass spectrometry has become ever more accessible with improvements in instrumentation, such as modern FT-ICR and Orbitrap mass spectrometers. This has resulted in an increase in the number of articles submitted for publication quoting accurate mass data. There is a plethora of terms related to accurate mass analysis that are in current usage, many employed incorrectly or inconsistently. This article is based on a set of notes prepared by the authors for research students and staff in our laboratories as a guide to the correct terminology and basic statistical procedures to apply in relation to mass measurement, particularly for accurate mass measurement. It elaborates on the editorial by Gross in 1994 regarding the use of accurate masses for structure confirmation. We have presented and defined the main terms in use with reference to the International Union of Pure and Applied Chemistry (IUPAC) recommendations for nomenclature and symbolism for mass spectrometry. The correct use of statistics and treatment of data is illustrated as a guide to new and existing mass spectrometry users with a series of examples as well as statistical methods to compare different experimental methods and datasets. Copyright © 2010. Published by Elsevier Inc.

  19. Toward high-speed 3D nonlinear soft tissue deformation simulations using Abaqus software.

    PubMed

    Idkaidek, Ashraf; Jasiuk, Iwona

    2015-12-01

    We aim to achieve a fast and accurate three-dimensional (3D) simulation of a porcine liver deformation under a surgical tool pressure using the commercial finite element software Abaqus. The liver geometry is obtained using magnetic resonance imaging, and a nonlinear constitutive law is employed to capture large deformations of the tissue. Effects of implicit versus explicit analysis schemes, element type, and mesh density on computation time are studied. We find that Abaqus explicit and implicit solvers are capable of simulating nonlinear soft tissue deformations accurately using first-order tetrahedral elements in a relatively short time by optimizing the element size. This study provides new insights and guidance on accurate and relatively fast nonlinear soft tissue simulations. Such simulations can provide force feedback during robotic surgery and allow visualization of tissue deformations for surgery planning and training of surgical residents.

  20. Nesting large-eddy simulations within mesoscale simulations for wind energy applications

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lundquist, J K; Mirocha, J D; Chow, F K

    2008-09-08

    With increasing demand for more accurate atmospheric simulations for wind turbine micrositing, for operational wind power forecasting, and for more reliable turbine design, simulations of atmospheric flow with resolution of tens of meters or higher are required. These time-dependent large-eddy simulations (LES), which resolve individual atmospheric eddies on length scales smaller than turbine blades and account for complex terrain, are possible with a range of commercial and open-source software, including the Weather Research and Forecasting (WRF) model. In addition to 'local' sources of turbulence within an LES domain, changing weather conditions outside the domain can also affect flow, suggesting thatmore » a mesoscale model provide boundary conditions to the large-eddy simulations. Nesting a large-eddy simulation within a mesoscale model requires nuanced representations of turbulence. Our group has improved the Weather and Research Forecasting model's (WRF) LES capability by implementing the Nonlinear Backscatter and Anisotropy (NBA) subfilter stress model following Kosovic (1997) and an explicit filtering and reconstruction technique to compute the Resolvable Subfilter-Scale (RSFS) stresses (following Chow et al, 2005). We have also implemented an immersed boundary method (IBM) in WRF to accommodate complex terrain. These new models improve WRF's LES capabilities over complex terrain and in stable atmospheric conditions. We demonstrate approaches to nesting LES within a mesoscale simulation for farms of wind turbines in hilly regions. Results are sensitive to the nesting method, indicating that care must be taken to provide appropriate boundary conditions, and to allow adequate spin-up of turbulence in the LES domain.« less

  1. SRG110 Stirling Generator Dynamic Simulator Vibration Test Results and Analysis Correlation

    NASA Technical Reports Server (NTRS)

    Suarez, Vicente J.; Lewandowski, Edward J.; Callahan, John

    2006-01-01

    The U.S. Department of Energy (DOE), Lockheed Martin (LM), and NASA Glenn Research Center (GRC) have been developing the Stirling Radioisotope Generator (SRG110) for use as a power system for space science missions. The launch environment enveloping potential missions results in a random input spectrum that is significantly higher than historical RPS launch levels and is a challenge for designers. Analysis presented in prior work predicted that tailoring the compliance at the generator-spacecraft interface reduced the dynamic response of the system thereby allowing higher launch load input levels and expanding the range of potential generator missions. To confirm analytical predictions, a dynamic simulator representing the generator structure, Stirling convertors and heat sources was designed and built for testing with and without a compliant interface. Finite element analysis was performed to guide the generator simulator and compliant interface design so that test modes and frequencies were representative of the SRG110 generator. This paper presents the dynamic simulator design, the test setup and methodology, test article modes and frequencies and dynamic responses, and post-test analysis results. With the compliant interface, component responses to an input environment exceeding the SRG110 qualification level spectrum were all within design allowables. Post-test analysis included finite element model tuning to match test frequencies and random response analysis using the test input spectrum. Analytical results were in good overall agreement with the test results and confirmed previous predictions that the SRG110 power system may be considered for a broad range of potential missions, including those with demanding launch environments.

  2. SRG110 Stirling Generator Dynamic Simulator Vibration Test Results and Analysis Correlation

    NASA Technical Reports Server (NTRS)

    Lewandowski, Edward J.; Suarez, Vicente J.; Goodnight, Thomas W.; Callahan, John

    2007-01-01

    The U.S. Department of Energy (DOE), Lockheed Martin (LM), and NASA Glenn Research Center (GRC) have been developing the Stirling Radioisotope Generator (SRG110) for use as a power system for space science missions. The launch environment enveloping potential missions results in a random input spectrum that is significantly higher than historical radioisotope power system (RPS) launch levels and is a challenge for designers. Analysis presented in prior work predicted that tailoring the compliance at the generator-spacecraft interface reduced the dynamic response of the system thereby allowing higher launch load input levels and expanding the range of potential generator missions. To confirm analytical predictions, a dynamic simulator representing the generator structure, Stirling convertors and heat sources were designed and built for testing with and without a compliant interface. Finite element analysis was performed to guide the generator simulator and compliant interface design so that test modes and frequencies were representative of the SRG110 generator. This paper presents the dynamic simulator design, the test setup and methodology, test article modes and frequencies and dynamic responses, and post-test analysis results. With the compliant interface, component responses to an input environment exceeding the SRG110 qualification level spectrum were all within design allowables. Post-test analysis included finite element model tuning to match test frequencies and random response analysis using the test input spectrum. Analytical results were in good overall agreement with the test results and confirmed previous predictions that the SRG110 power system may be considered for a broad range of potential missions, including those with demanding launch environments.

  3. Development of a Star Tracker-Based Reference System for Accurate Attitude Determination of a Simulated Spacecraft

    DTIC Science & Technology

    2012-03-01

    the mathematical pretext for quaternions, which summarizes as: In three- dimensional space , any displacement of a rigid body such that a ...for the patch board was selected, with a uniform 8 mm spacing between LED centers. Figure 33 is schematic of the patch board layout, and Fig. 34 shows...attitude determination since the dawn of the space age. Without accurate attitude determination, a “Lost- in-

  4. Euler-euler anisotropic gaussian mesoscale simulation of homogeneous cluster-induced gas-particle turbulence

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kong, Bo; Fox, Rodney O.; Feng, Heng

    An Euler–Euler anisotropic Gaussian approach (EE-AG) for simulating gas–particle flows, in which particle velocities are assumed to follow a multivariate anisotropic Gaussian distribution, is used to perform mesoscale simulations of homogeneous cluster-induced turbulence (CIT). A three-dimensional Gauss–Hermite quadrature formulation is used to calculate the kinetic flux for 10 velocity moments in a finite-volume framework. The particle-phase volume-fraction and momentum equations are coupled with the Eulerian solver for the gas phase. This approach is implemented in an open-source CFD package, OpenFOAM, and detailed simulation results are compared with previous Euler–Lagrange simulations in a domain size study of CIT. Here, these resultsmore » demonstrate that the proposed EE-AG methodology is able to produce comparable results to EL simulations, and this moment-based methodology can be used to perform accurate mesoscale simulations of dilute gas–particle flows.« less

  5. Euler-euler anisotropic gaussian mesoscale simulation of homogeneous cluster-induced gas-particle turbulence

    DOE PAGES

    Kong, Bo; Fox, Rodney O.; Feng, Heng; ...

    2017-02-16

    An Euler–Euler anisotropic Gaussian approach (EE-AG) for simulating gas–particle flows, in which particle velocities are assumed to follow a multivariate anisotropic Gaussian distribution, is used to perform mesoscale simulations of homogeneous cluster-induced turbulence (CIT). A three-dimensional Gauss–Hermite quadrature formulation is used to calculate the kinetic flux for 10 velocity moments in a finite-volume framework. The particle-phase volume-fraction and momentum equations are coupled with the Eulerian solver for the gas phase. This approach is implemented in an open-source CFD package, OpenFOAM, and detailed simulation results are compared with previous Euler–Lagrange simulations in a domain size study of CIT. Here, these resultsmore » demonstrate that the proposed EE-AG methodology is able to produce comparable results to EL simulations, and this moment-based methodology can be used to perform accurate mesoscale simulations of dilute gas–particle flows.« less

  6. Dynamics Modeling and Simulation of Large Transport Airplanes in Upset Conditions

    NASA Technical Reports Server (NTRS)

    Foster, John V.; Cunningham, Kevin; Fremaux, Charles M.; Shah, Gautam H.; Stewart, Eric C.; Rivers, Robert A.; Wilborn, James E.; Gato, William

    2005-01-01

    As part of NASA's Aviation Safety and Security Program, research has been in progress to develop aerodynamic modeling methods for simulations that accurately predict the flight dynamics characteristics of large transport airplanes in upset conditions. The motivation for this research stems from the recognition that simulation is a vital tool for addressing loss-of-control accidents, including applications to pilot training, accident reconstruction, and advanced control system analysis. The ultimate goal of this effort is to contribute to the reduction of the fatal accident rate due to loss-of-control. Research activities have involved accident analyses, wind tunnel testing, and piloted simulation. Results have shown that significant improvements in simulation fidelity for upset conditions, compared to current training simulations, can be achieved using state-of-the-art wind tunnel testing and aerodynamic modeling methods. This paper provides a summary of research completed to date and includes discussion on key technical results, lessons learned, and future research needs.

  7. Combining energy and Laplacian regularization to accurately retrieve the depth of brain activity of diffuse optical tomographic data

    NASA Astrophysics Data System (ADS)

    Chiarelli, Antonio M.; Maclin, Edward L.; Low, Kathy A.; Mathewson, Kyle E.; Fabiani, Monica; Gratton, Gabriele

    2016-03-01

    Diffuse optical tomography (DOT) provides data about brain function using surface recordings. Despite recent advancements, an unbiased method for estimating the depth of absorption changes and for providing an accurate three-dimensional (3-D) reconstruction remains elusive. DOT involves solving an ill-posed inverse problem, requiring additional criteria for finding unique solutions. The most commonly used criterion is energy minimization (energy constraint). However, as measurements are taken from only one side of the medium (the scalp) and sensitivity is greater at shallow depths, the energy constraint leads to solutions that tend to be small and superficial. To correct for this bias, we combine the energy constraint with another criterion, minimization of spatial derivatives (Laplacian constraint, also used in low resolution electromagnetic tomography, LORETA). Used in isolation, the Laplacian constraint leads to solutions that tend to be large and deep. Using simulated, phantom, and actual brain activation data, we show that combining these two criteria results in accurate (error <2 mm) absorption depth estimates, while maintaining a two-point spatial resolution of <24 mm up to a depth of 30 mm. This indicates that accurate 3-D reconstruction of brain activity up to 30 mm from the scalp can be obtained with DOT.

  8. Integrated corridor management analysis, modeling, and simulation results for the test corridor.

    DOT National Transportation Integrated Search

    2008-06-01

    This report documents the Integrated Corridor Management (ICM) Analysis Modeling and Simulation (AMS) tools and strategies used on a Test Corridor, presents results and lessons-learned, and documents the relative capability of AMS to support benefit-...

  9. A Deep Extragalactic Survey with the ART-XC Telescope of the Spectrum-RG Observatory: Simulations and Expected Results

    NASA Astrophysics Data System (ADS)

    Mereminskiy, I. A.; Filippova, E. V.; Burenin, R. A.; Sazonov, S. Yu.; Pavlinsky, M. N.; Tkachenko, A. Yu.; Lapshov, I. Yu.; Shtykovskiy, A. E.; Krivonos, R. A.

    2018-02-01

    To choose the best strategy for conducting a deep extragalactic survey with the ART-XC X-ray telescope onboard the Spectrum-Röntgen-Gamma (SRG) observatory and to estimate the expected results, we have simulated the observations of a 1.1° × 1.1° field in the 5-11 and 8-24 keV energy bands. For this purpose, we have constructed a model of the active galactic nuclei (AGN) population that reflects the properties of the X-ray emission from such objects. The photons that "arrived" from these sources were passed through a numerical model of the telescope, while the resulting data were processed with the standard ART-XC data processing pipeline. We show that several hundred AGNs at redshifts up to z ≈ 3 will be detected in such a survey over 1.2 Ms of observations with the expected charged particle background levels. Among them there will be heavily obscured AGNs, which will allow a more accurate estimate of the fraction of such objects in the total population to be made. Source confusion is expected at fluxes below 2 × 10-14 erg s-1 cm-2 (5-11 keV). Since this value can exceed the source detection threshold in a deep survey at low particle background levels, it may turn out to be more interesting to conduct a survey of larger area (several square degrees) but smaller depth, obtaining a sample of approximately four hundred bright AGNs as a result.

  10. Atomistic simulations of the optical absorption of type-II CdSe/ZnTe superlattices

    PubMed Central

    2012-01-01

    We perform accurate tight binding simulations to design type-II short-period CdSe/ZnTe superlattices suited for photovoltaic applications. Absorption calculations demonstrate a very good agreement with optical results with threshold strongly depending on the chemical species near interfaces. PMID:23031315

  11. Numerical Simulation of Liquids Draining From a Tank Using OpenFOAM

    NASA Astrophysics Data System (ADS)

    Sakri, Fadhilah Mohd; Sukri Mat Ali, Mohamed; Zaki Shaikh Salim, Sheikh Ahmad; Muhamad, Sallehuddin

    2017-08-01

    Accurate simulation of liquids draining is a challenging task. It involves two phases flow, i.e. liquid and air. In this study draining a liquid from a cylindrical tank is numerically simulated using OpenFOAM. OpenFOAM is an open source CFD package and it becomes increasingly popular among the academician and also industries. Comparisons with theoretical and results from previous published data confirmed that OpenFOAM is able to simulate the liquids draining very well. This is done using the gas-liquid interface solver available in the standard library of OpenFOAM. Additionally, this study was also able to explain the physics flow of the draining tank.

  12. High-resolution Monte Carlo simulation of flow and conservative transport in heterogeneous porous media: 2. Transport results

    USGS Publications Warehouse

    Naff, R.L.; Haley, D.F.; Sudicky, E.A.

    1998-01-01

    In this, the second of two papers concerned with the use of numerical simulation to examine flow and transport parameters in heterogeneous porous media via Monte Carlo methods, results from the transport aspect of these simulations are reported on. Transport simulations contained herein assume a finite pulse input of conservative tracer, and the numerical technique endeavors to realistically simulate tracer spreading as the cloud moves through a heterogeneous medium. Medium heterogeneity is limited to the hydraulic conductivity field, and generation of this field assumes that the hydraulic-conductivity process is second-order stationary. Methods of estimating cloud moments, and the interpretation of these moments, are discussed. Techniques for estimation of large-time macrodispersivities from cloud second-moment data, and for the approximation of the standard errors associated with these macrodispersivities, are also presented. These moment and macrodispersivity estimation techniques were applied to tracer clouds resulting from transport scenarios generated by specific Monte Carlo simulations. Where feasible, moments and macrodispersivities resulting from the Monte Carlo simulations are compared with first- and second-order perturbation analyses. Some limited results concerning the possible ergodic nature of these simulations, and the presence of non-Gaussian behavior of the mean cloud, are reported on as well.

  13. Dependability analysis of parallel systems using a simulation-based approach. M.S. Thesis

    NASA Technical Reports Server (NTRS)

    Sawyer, Darren Charles

    1994-01-01

    The analysis of dependability in large, complex, parallel systems executing real applications or workloads is examined in this thesis. To effectively demonstrate the wide range of dependability problems that can be analyzed through simulation, the analysis of three case studies is presented. For each case, the organization of the simulation model used is outlined, and the results from simulated fault injection experiments are explained, showing the usefulness of this method in dependability modeling of large parallel systems. The simulation models are constructed using DEPEND and C++. Where possible, methods to increase dependability are derived from the experimental results. Another interesting facet of all three cases is the presence of some kind of workload of application executing in the simulation while faults are injected. This provides a completely new dimension to this type of study, not possible to model accurately with analytical approaches.

  14. Free-energy analyses of a proton transfer reaction by simulated-tempering umbrella sampling and first-principles molecular dynamics simulations.

    PubMed

    Mori, Yoshiharu; Okamoto, Yuko

    2013-02-01

    A simulated tempering method, which is referred to as simulated-tempering umbrella sampling, for calculating the free energy of chemical reactions is proposed. First principles molecular dynamics simulations with this simulated tempering were performed to study the intramolecular proton transfer reaction of malonaldehyde in an aqueous solution. Conformational sampling in reaction coordinate space can be easily enhanced with this method, and the free energy along a reaction coordinate can be calculated accurately. Moreover, the simulated-tempering umbrella sampling provides trajectory data more efficiently than the conventional umbrella sampling method.

  15. Results of Small-scale Solid Rocket Combustion Simulator testing at Marshall Space Flight Center

    NASA Technical Reports Server (NTRS)

    Goldberg, Benjamin E.; Cook, Jerry

    1993-01-01

    The Small-scale Solid Rocket Combustion Simulator (SSRCS) program was established at the Marshall Space Flight Center (MSFC), and used a government/industry team consisting of Hercules Aerospace Corporation, Aerotherm Corporation, United Technology Chemical Systems Division, Thiokol Corporation and MSFC personnel to study the feasibility of simulating the combustion species, temperatures and flow fields of a conventional solid rocket motor (SRM) with a versatile simulator system. The SSRCS design is based on hybrid rocket motor principles. The simulator uses a solid fuel and a gaseous oxidizer. Verification of the feasibility of a SSRCS system as a test bed was completed using flow field and system analyses, as well as empirical test data. A total of 27 hot firings of a subscale SSRCS motor were conducted at MSFC. Testing of the Small-scale SSRCS program was completed in October 1992. This paper, a compilation of reports from the above team members and additional analysis of the instrumentation results, will discuss the final results of the analyses and test programs.

  16. On the application of hybrid meshes in hydraulic machinery CFD simulations

    NASA Astrophysics Data System (ADS)

    Schlipf, M.; Tismer, A.; Riedelbauch, S.

    2016-11-01

    The application of two different hybrid mesh types for the simulation of a Francis runner for automated optimization processes without user input is investigated. Those mesh types are applied to simplified test cases such as flow around NACA airfoils to identify the special mesh resolution effects with reduced complexity, like rotating cascade flows, as they occur in a turbomachine runner channel. The analysis includes the application of those different meshes on the geometries by keeping defined quality criteria and exploring the influences on the simulation results. All results are compared with reference values gained by simulations with blockstructured hexahedron meshes and the same numerical scheme. This avoids additional inaccuracies caused by further numerical and experimental measurement methods. The results show that a simulation with hybrid meshes built up by a blockstructured domain with hexahedrons around the blade in combination with a tetrahedral far field in the channel is sufficient to get results which are almost as accurate as the results gained by the reference simulation. Furthermore this method is robust enough for automated processes without user input and enables comparable meshes in size, distribution and quality for different similar geometries as occurring in optimization processes.

  17. Study of correlations from Ab-Initio Simulations of Liquid Water

    NASA Astrophysics Data System (ADS)

    Soto, Adrian; Fernandez-Serra, Marivi; Lu, Deyu; Yoo, Shinjae

    An accurate understanding of the dynamics and the structure of H2O molecules in the liquid phase is of extreme importance both from a fundamental and from a practical standpoint. Despite the successes of Molecular Dynamics (MD) with Density Functional Theory (DFT), liquid water remains an extremely difficult material to simulate accurately and efficiently because of fine balance between the covalent O-H bond, the hydrogen bond and the attractive the van der Waals forces. Small errors in those produce dramatic changes in the macroscopic properties of the liquid or in its structural properties. Different density functionals produce answers that differ by as much as 35% in ambient conditions, with none producing quantitative results in agreement with experiment at different mass densities. In order to understand these differences we perform an exhaustive scanning of the geometrical coordinates of MD simulations and study their statistical correlations with the simulation output quantities using advanced correlation analyses and machine learning techniques. This work was partially supported by DOE Award No. DE-FG02-09ER16052, by DOE Early Career Award No. DE-SC0003871, by BNL LDRD 16-039 project and BNL Contract No. DE-SC0012704.

  18. Accurate Evaluation Method of Molecular Binding Affinity from Fluctuation Frequency

    NASA Astrophysics Data System (ADS)

    Hoshino, Tyuji; Iwamoto, Koji; Ode, Hirotaka; Ohdomari, Iwao

    2008-05-01

    Exact estimation of the molecular binding affinity is significantly important for drug discovery. The energy calculation is a direct method to compute the strength of the interaction between two molecules. This energetic approach is, however, not accurate enough to evaluate a slight difference in binding affinity when distinguishing a prospective substance from dozens of candidates for medicine. Hence more accurate estimation of drug efficacy in a computer is currently demanded. Previously we proposed a concept of estimating molecular binding affinity, focusing on the fluctuation at an interface between two molecules. The aim of this paper is to demonstrate the compatibility between the proposed computational technique and experimental measurements, through several examples for computer simulations of an association of human immunodeficiency virus type-1 (HIV-1) protease and its inhibitor (an example for a drug-enzyme binding), a complexation of an antigen and its antibody (an example for a protein-protein binding), and a combination of estrogen receptor and its ligand chemicals (an example for a ligand-receptor binding). The proposed affinity estimation has proven to be a promising technique in the advanced stage of the discovery and the design of drugs.

  19. Accurate Arabic Script Language/Dialect Classification

    DTIC Science & Technology

    2014-01-01

    Army Research Laboratory Accurate Arabic Script Language/Dialect Classification by Stephen C. Tratz ARL-TR-6761 January 2014 Approved for public...1197 ARL-TR-6761 January 2014 Accurate Arabic Script Language/Dialect Classification Stephen C. Tratz Computational and Information Sciences...Include area code) Standard Form 298 (Rev. 8/98) Prescribed by ANSI Std. Z39.18 January 2014 Final Accurate Arabic Script Language/Dialect Classification

  20. Accurate, reliable prototype earth horizon sensor head

    NASA Technical Reports Server (NTRS)

    Schwarz, F.; Cohen, H.

    1973-01-01

    The design and performance is described of an accurate and reliable prototype earth sensor head (ARPESH). The ARPESH employs a detection logic 'locator' concept and horizon sensor mechanization which should lead to high accuracy horizon sensing that is minimally degraded by spatial or temporal variations in sensing attitude from a satellite in orbit around the earth at altitudes in the 500 km environ 1,2. An accuracy of horizon location to within 0.7 km has been predicted, independent of meteorological conditions. This corresponds to an error of 0.015 deg-at 500 km altitude. Laboratory evaluation of the sensor indicates that this accuracy is achieved. First, the basic operating principles of ARPESH are described; next, detailed design and construction data is presented and then performance of the sensor under laboratory conditions in which the sensor is installed in a simulator that permits it to scan over a blackbody source against background representing the earth space interface for various equivalent plant temperatures.

  1. Simulation of wave propagation in three-dimensional random media

    NASA Technical Reports Server (NTRS)

    Coles, William A.; Filice, J. P.; Frehlich, R. G.; Yadlowsky, M.

    1993-01-01

    Quantitative error analysis for simulation of wave propagation in three dimensional random media assuming narrow angular scattering are presented for the plane wave and spherical wave geometry. This includes the errors resulting from finite grid size, finite simulation dimensions, and the separation of the two-dimensional screens along the propagation direction. Simple error scalings are determined for power-law spectra of the random refractive index of the media. The effects of a finite inner scale are also considered. The spatial spectra of the intensity errors are calculated and compared to the spatial spectra of intensity. The numerical requirements for a simulation of given accuracy are determined for realizations of the field. The numerical requirements for accurate estimation of higher moments of the field are less stringent.

  2. Navier-Stokes simulations of slender axisymmetric shapes in supersonic, turbulent flow

    NASA Astrophysics Data System (ADS)

    Moran, Kenneth J.; Beran, Philip S.

    1994-07-01

    Computational fluid dynamics is used to study flows about slender, axisymmetric bodies at very high speeds. Numerical experiments are conducted to simulate a broad range of flight conditions. Mach number is varied from 1.5 to 8 and Reynolds number is varied from 1 X 10(exp 6)/m to 10(exp 8)/m. The primary objective is to develop and validate a computational and methodology for the accurate simulation of a wide variety of flow structures. Accurate results are obtained for detached bow shocks, recompression shocks, corner-point expansions, base-flow recirculations, and turbulent boundary layers. Accuracy is assessed through comparison with theory and experimental data; computed surface pressure, shock structure, base-flow structure, and velocity profiles are within measurement accuracy throughout the range of conditions tested. The methodology is both practical and general: general in its applicability, and practicaal in its performance. To achieve high accuracy, modifications to previously reported techniques are implemented in the scheme. These modifications improve computed results in the vicinity of symmetry lines and in the base flow region, including the turbulent wake.

  3. NIMROD resistive magnetohydrodynamic simulations of spheromak physics

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hooper, E. B.; Cohen, B. I.; McLean, H. S.

    The physics of spheromak plasmas is addressed by time-dependent, three-dimensional, resistive magnetohydrodynamic simulations with the NIMROD code [C. R. Sovinec et al., J. Comput. Phys. 195, 355 (2004)]. Included in some detail are the formation of a spheromak driven electrostatically by a coaxial plasma gun with a flux-conserver geometry and power systems that accurately model the sustained spheromak physics experiment [R. D. Wood et al., Nucl. Fusion 45, 1582 (2005)]. The controlled decay of the spheromak plasma over several milliseconds is also modeled as the programmable current and voltage relax, resulting in simulations of entire experimental pulses. Reconnection phenomena andmore » the effects of current profile evolution on the growth of symmetry-breaking toroidal modes are diagnosed; these in turn affect the quality of magnetic surfaces and the energy confinement. The sensitivity of the simulation results addresses variations in both physical and numerical parameters, including spatial resolution. There are significant points of agreement between the simulations and the observed experimental behavior, e.g., in the evolution of the magnetics and the sensitivity of the energy confinement to the presence of symmetry-breaking magnetic fluctuations.« less

  4. Dosimetry in small-animal CT using Monte Carlo simulations

    NASA Astrophysics Data System (ADS)

    Lee, C.-L.; Park, S.-J.; Jeon, P.-H.; Jo, B.-D.; Kim, H.-J.

    2016-01-01

    Small-animal computed tomography (micro-CT) imaging devices are increasingly being used in biological research. While investigators are mainly interested in high-contrast, low-noise, and high-resolution anatomical images, relatively large radiation doses are required, and there is also growing concern over the radiological risk from preclinical experiments. This study was conducted to determine the radiation dose in a mouse model for dosimetric estimates using the GEANT4 application for tomographic emission simulations (GATE) and to extend its techniques to various small-animal CT applications. Radiation dose simulations were performed with the same parameters as those for the measured micro-CT data, using the MOBY phantom, a pencil ion chamber and an electrometer with a CT detector. For physical validation of radiation dose, absorbed dose of brain and liver in mouse were evaluated to compare simulated results with physically measured data using thermoluminescent dosimeters (TLDs). The mean difference between simulated and measured data was less than 2.9% at 50 kVp X-ray source. The absorbed doses of 37 brain tissues and major organs of the mouse were evaluated according to kVp changes. The absorbed dose over all of the measurements in the brain (37 types of tissues) consistently increased and ranged from 42.4 to 104.0 mGy. Among the brain tissues, the absorbed dose of the hypothalamus (157.8-414.30 mGy) was the highest for the beams at 50-80 kVp, and that of the corpus callosum (11.2-26.6 mGy) was the lowest. These results can be used as a dosimetric database to control mouse doses and preclinical targeted radiotherapy experiments. In addition, to accurately calculate the mouse-absorbed dose, the X-ray spectrum, detector alignment, and uncertainty in the elemental composition of the simulated materials must be accurately modeled.

  5. The diffusive finite state projection algorithm for efficient simulation of the stochastic reaction-diffusion master equation.

    PubMed

    Drawert, Brian; Lawson, Michael J; Petzold, Linda; Khammash, Mustafa

    2010-02-21

    We have developed a computational framework for accurate and efficient simulation of stochastic spatially inhomogeneous biochemical systems. The new computational method employs a fractional step hybrid strategy. A novel formulation of the finite state projection (FSP) method, called the diffusive FSP method, is introduced for the efficient and accurate simulation of diffusive transport. Reactions are handled by the stochastic simulation algorithm.

  6. Efficient kinetic method for fluid simulation beyond the Navier-Stokes equation.

    PubMed

    Zhang, Raoyang; Shan, Xiaowen; Chen, Hudong

    2006-10-01

    We present a further theoretical extension to the kinetic-theory-based formulation of the lattice Boltzmann method of Shan [J. Fluid Mech. 550, 413 (2006)]. In addition to the higher-order projection of the equilibrium distribution function and a sufficiently accurate Gauss-Hermite quadrature in the original formulation, a regularization procedure is introduced in this paper. This procedure ensures a consistent order of accuracy control over the nonequilibrium contributions in the Galerkin sense. Using this formulation, we construct a specific lattice Boltzmann model that accurately incorporates up to third-order hydrodynamic moments. Numerical evidence demonstrates that the extended model overcomes some major defects existing in conventionally known lattice Boltzmann models, so that fluid flows at finite Knudsen number Kn can be more quantitatively simulated. Results from force-driven Poiseuille flow simulations predict the Knudsen's minimum and the asymptotic behavior of flow flux at large Kn.

  7. Renal contrast-enhanced MR angiography: timing errors and accurate depiction of renal artery origins.

    PubMed

    Schmidt, Maria A; Morgan, Robert

    2008-10-01

    To investigate bolus timing artifacts that impair depiction of renal arteries at contrast material-enhanced magnetic resonance (MR) angiography and to determine the effect of contrast agent infusion rates on artifact generation. Renal contrast-enhanced MR angiography was simulated for a variety of infusion schemes, assuming both correct and incorrect timing between data acquisition and contrast agent injection. In addition, the ethics committee approved the retrospective evaluation of clinical breath-hold renal contrast-enhanced MR angiographic studies obtained with automated detection of contrast agent arrival. Twenty-two studies were evaluated for their ability to depict the origin of renal arteries in patent vessels and for any signs of timing errors. Simulations showed that a completely artifactual stenosis or an artifactual overestimation of an existing stenosis at the renal artery origin can be caused by timing errors of the order of 5 seconds in examinations performed with contrast agent infusion rates compatible with or higher than those of hand injections. Lower infusion rates make the studies more likely to accurately depict the origin of the renal arteries. In approximately one-third of all clinical examinations, different contrast agent uptake rates were detected on the left and right sides of the body, and thus allowed us to confirm that it is often impossible to optimize depiction of both renal arteries. In three renal arteries, a signal void was found at the origin in a patent vessel, and delayed contrast agent arrival was confirmed. Computer simulations and clinical examinations showed that timing errors impair the accurate depiction of renal artery origins. (c) RSNA, 2008.

  8. Simulating 'the right stuff'

    NASA Astrophysics Data System (ADS)

    Fischetti, M. A.; Truxal, C.

    1985-03-01

    The present investigation is mainly concerned with simulators employed in the training of pilots in the Armed Services and other military personnel, taking into account certain problems and approaches for overcoming them. The use of simulators for training programs has a number of advantages compared to training involving a use of the actual equipment. Questions arise, however, regarding the value of such a training. Thus, it has been said that, while simulators gave students practice in manual skill, they could not teach them to handle the stress of being in a real aircraft. It has also been argued that some tasks are not represented accurately enough for proper training. In response to this criticism, the capacity of the simulators has been greatly improved. However, this development leads to problems related to the cost of simulator training. Attention is given to better visuals for flight simulators, the current generation of graphics imagery and expected improvements, possibilities for reducing flight simulator costs, and advances due to progress in microcomputers.

  9. A Simplified Finite Element Simulation for Straightening Process of Thin-Walled Tube

    NASA Astrophysics Data System (ADS)

    Zhang, Ziqian; Yang, Huilin

    2017-12-01

    The finite element simulation is an effective way for the study of thin-walled tube in the two cross rolls straightening process. To determine the accurate radius of curvature of the roll profile more efficiently, a simplified finite element model based on the technical parameters of an actual two cross roll straightening machine, was developed to simulate the complex straightening process. Then a dynamic simulation was carried out using ANSYS LS-DYNA program. The result implied that the simplified finite element model was reasonable for simulate the two cross rolls straightening process, and can be obtained the radius of curvature of the roll profile with the tube’s straightness 2 mm/m.

  10. Improving prospective memory performance with future event simulation in traumatic brain injury patients.

    PubMed

    Mioni, Giovanna; Bertucci, Erica; Rosato, Antonella; Terrett, Gill; Rendell, Peter G; Zamuner, Massimo; Stablum, Franca

    2017-06-01

    Previous studies have shown that traumatic brain injury (TBI) patients have difficulties with prospective memory (PM). Considering that PM is closely linked to independent living it is of primary interest to develop strategies that can improve PM performance in TBI patients. This study employed Virtual Week task as a measure of PM, and we included future event simulation to boost PM performance. Study 1 evaluated the efficacy of the strategy and investigated possible practice effects. Twenty-four healthy participants performed Virtual Week in a no strategy condition, and 24 healthy participants performed it in a mixed condition (no strategy - future event simulation). In Study 2, 18 TBI patients completed the mixed condition of Virtual Week and were compared with the 24 healthy controls who undertook the mixed condition of Virtual Week in Study 1. All participants also completed a neuropsychological evaluation to characterize the groups on level of cognitive functioning. Study 1 showed that participants in the future event simulation condition outperformed participants in the no strategy condition, and these results were not attributable to practice effects. Results of Study 2 showed that TBI patients performed PM tasks less accurately than controls, but that future event simulation can substantially reduce TBI-related deficits in PM performance. The future event simulation strategy also improved the controls' PM performance. These studies showed the value of future event simulation strategy in improving PM performance in healthy participants as well as in TBI patients. TBI patients performed PM tasks less accurately than controls, confirming prospective memory impairment in these patients. Participants in the future event simulation condition out-performed participants in the no strategy condition. Future event simulation can substantially reduce TBI-related deficits in PM performance. Future event simulation strategy also improved the controls' PM performance.

  11. Analysis Of Direct Numerical Simulation Results Of Adverse Pressure Gradient Boundary Layer Through Anisotropy Invariant Mapping And Comparison With The Rans Simulations

    NASA Astrophysics Data System (ADS)

    Gungor, Ayse Gul; Nural, Ozan Ekin; Ertunc, Ozgur

    2017-11-01

    Purpose of this study is to analyze the direct numerical simulation data of a turbulent boundary layer subjected to strong adverse pressure gradient through anisotropy invariant mapping. RANS simulation using the ``Elliptic Blending Model'' of Manceau and Hanjolic (2002) is also conducted for the same flow case with commercial software Star-CCM+ and comparison of the results with DNS data is done. RANS simulation captures the general trends in the velocity field but, significant deviations are found when skin friction coefficients are compared. Anisotropy invariant map of Lumley and Newman (1977) and barycentric map of Banerjee et al. (2007) are used for the analysis. Invariant mapping of the DNS data has yielded that at locations away from the wall, flow is close to one component turbulence state. In the vicinity of the wall, turbulence is at two component limit which is one border of the barycentric map and as the flow evolves along the streamwise direction, it approaches to two component turbulence state. Additionally, at the locations away from the wall, turbulence approaches to two component limit. Furthermore, analysis of the invariants of the RANS simulations shows dissimilar results. In RANS simulations invariants do not approach to any of the limit states unlike the DNS.

  12. Accurate modeling of defects in graphene transport calculations

    NASA Astrophysics Data System (ADS)

    Linhart, Lukas; Burgdörfer, Joachim; Libisch, Florian

    2018-01-01

    We present an approach for embedding defect structures modeled by density functional theory into large-scale tight-binding simulations. We extract local tight-binding parameters for the vicinity of the defect site using Wannier functions. In the transition region between the bulk lattice and the defect the tight-binding parameters are continuously adjusted to approach the bulk limit far away from the defect. This embedding approach allows for an accurate high-level treatment of the defect orbitals using as many as ten nearest neighbors while keeping a small number of nearest neighbors in the bulk to render the overall computational cost reasonable. As an example of our approach, we consider an extended graphene lattice decorated with Stone-Wales defects, flower defects, double vacancies, or silicon substitutes. We predict distinct scattering patterns mirroring the defect symmetries and magnitude that should be experimentally accessible.

  13. PRELIMINARY COUPLING OF THE MONTE CARLO CODE OPENMC AND THE MULTIPHYSICS OBJECT-ORIENTED SIMULATION ENVIRONMENT (MOOSE) FOR ANALYZING DOPPLER FEEDBACK IN MONTE CARLO SIMULATIONS

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Matthew Ellis; Derek Gaston; Benoit Forget

    In recent years the use of Monte Carlo methods for modeling reactors has become feasible due to the increasing availability of massively parallel computer systems. One of the primary challenges yet to be fully resolved, however, is the efficient and accurate inclusion of multiphysics feedback in Monte Carlo simulations. The research in this paper presents a preliminary coupling of the open source Monte Carlo code OpenMC with the open source Multiphysics Object-Oriented Simulation Environment (MOOSE). The coupling of OpenMC and MOOSE will be used to investigate efficient and accurate numerical methods needed to include multiphysics feedback in Monte Carlo codes.more » An investigation into the sensitivity of Doppler feedback to fuel temperature approximations using a two dimensional 17x17 PWR fuel assembly is presented in this paper. The results show a functioning multiphysics coupling between OpenMC and MOOSE. The coupling utilizes Functional Expansion Tallies to accurately and efficiently transfer pin power distributions tallied in OpenMC to unstructured finite element meshes used in MOOSE. The two dimensional PWR fuel assembly case also demonstrates that for a simplified model the pin-by-pin doppler feedback can be adequately replicated by scaling a representative pin based on pin relative powers.« less

  14. Accurate modeling of switched reluctance machine based on hybrid trained WNN

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Song, Shoujun, E-mail: sunnyway@nwpu.edu.cn; Ge, Lefei; Ma, Shaojie

    2014-04-15

    According to the strong nonlinear electromagnetic characteristics of switched reluctance machine (SRM), a novel accurate modeling method is proposed based on hybrid trained wavelet neural network (WNN) which combines improved genetic algorithm (GA) with gradient descent (GD) method to train the network. In the novel method, WNN is trained by GD method based on the initial weights obtained per improved GA optimization, and the global parallel searching capability of stochastic algorithm and local convergence speed of deterministic algorithm are combined to enhance the training accuracy, stability and speed. Based on the measured electromagnetic characteristics of a 3-phase 12/8-pole SRM, themore » nonlinear simulation model is built by hybrid trained WNN in Matlab. The phase current and mechanical characteristics from simulation under different working conditions meet well with those from experiments, which indicates the accuracy of the model for dynamic and static performance evaluation of SRM and verifies the effectiveness of the proposed modeling method.« less

  15. Color visual simulation applications at the Defense Mapping Agency

    NASA Astrophysics Data System (ADS)

    Simley, J. D.

    1984-09-01

    The Defense Mapping Agency (DMA) produces the Digital Landmass System data base to provide culture and terrain data in support of numerous aircraft simulators. In order to conduct data base and simulation quality control and requirements analysis, DMA has developed the Sensor Image Simulator which can rapidly generate visual and radar static scene digital simulations. The use of color in visual simulation allows the clear portrayal of both landcover and terrain data, whereas the initial black and white capabilities were restricted in this role and thus found limited use. Color visual simulation has many uses in analysis to help determine the applicability of current and prototype data structures to better meet user requirements. Color visual simulation is also significant in quality control since anomalies can be more easily detected in natural appearing forms of the data. The realism and efficiency possible with advanced processing and display technology, along with accurate data, make color visual simulation a highly effective medium in the presentation of geographic information. As a result, digital visual simulation is finding increased potential as a special purpose cartographic product. These applications are discussed and related simulation examples are presented.

  16. Multi-Fidelity Simulation of a Turbofan Engine With Results Zoomed Into Mini-Maps for a Zero-D Cycle Simulation

    NASA Technical Reports Server (NTRS)

    Turner, Mark G.; Reed, John A.; Ryder, Robert; Veres, Joseph P.

    2004-01-01

    A Zero-D cycle simulation of the GE90-94B high bypass turbofan engine has been achieved utilizing mini-maps generated from a high-fidelity simulation. The simulation utilizes the Numerical Propulsion System Simulation (NPSS) thermodynamic cycle modeling system coupled to a high-fidelity full-engine model represented by a set of coupled 3D computational fluid dynamic (CFD) component models. Boundary conditions from the balanced, steady state cycle model are used to define component boundary conditions in the full-engine model. Operating characteristics of the 3D component models are integrated into the cycle model via partial performance maps generated from the CFD flow solutions using one-dimensional mean line turbomachinery programs. This paper highlights the generation of the high-pressure compressor, booster, and fan partial performance maps, as well as turbine maps for the high pressure and low pressure turbine. These are actually "mini-maps" in the sense that they are developed only for a narrow operating range of the component. Results are compared between actual cycle data at a take-off condition and the comparable condition utilizing these mini-maps. The mini-maps are also presented with comparison to actual component data where possible.

  17. Open-loop simulations of atmospheric turbulence using the AdAPS interface

    NASA Astrophysics Data System (ADS)

    Widiker, Jeffrey J.; Magee, Eric P.

    2005-08-01

    We present and analyze experimental results of lab-based open-loop turbulence simulation utilizing the Adaptive Aberrating Phase Screen Interface developed by ATK Mission Research, which incorporates a 2-D spatial light modulator manufactured by Boulder Nonlinear Systems. These simulations demonstrate the effectiveness of a SLM to simulate various atmospheric turbulence scenarios in a laboratory setting without altering the optical setup. This effectiveness is shown using several figures of merit including: long-term Strehl ratio, time-dependant mean-tilt analysis, and beam break-up geometry. The scenarios examined here range from relatively weak (D/ro = 0.167) to quite strong (D/ro = 10) turbulence effects modeled using a single phase-screen placed at the pupil of a Fourier Transforming lens. While very strong turbulence scenarios result long-term Strehl ratios higher than expected, the SLM provided an accurate simulation of atmospheric effects for conventional phase-screen strengths.

  18. Templated fabrication of hollow nanospheres with 'windows' of accurate size and tunable number.

    PubMed

    Xie, Duan; Hou, Yidong; Su, Yarong; Gao, Fuhua; Du, Jinglei

    2015-01-01

    The 'windows' or 'doors' on the surface of a closed hollow structure can enable the exchange of material and information between the interior and exterior of one hollow sphere or between two hollow spheres, and this information or material exchange can also be controlled through altering the window' size. Thus, it is very interesting and important to achieve the fabrication and adjustment of the 'windows' or 'doors' on the surface of a closed hollow structure. In this paper, we propose a new method based on the temple-assisted deposition method to achieve the fabrication of hollow spheres with windows of accurate size and number. Through precisely controlling of deposition parameters (i.e., deposition angle and number), hollow spheres with windows of total size from 0% to 50% and number from 1 to 6 have been successfully achieved. A geometrical model has been developed for the morphology simulation and size calculation of the windows, and the simulation results meet well with the experiment. This model will greatly improve the convenience and efficiency of this temple-assisted deposition method. In addition, these hollow spheres with desired windows also can be dispersed into liquid or arranged regularly on any desired substrate. These advantages will maximize their applications in many fields, such as drug transport and nano-research container.

  19. Three Dimensional Simulation of the Baneberry Nuclear Event

    NASA Astrophysics Data System (ADS)

    Lomov, Ilya N.; Antoun, Tarabay H.; Wagoner, Jeff; Rambo, John T.

    2004-07-01

    Baneberry, a 10-kiloton nuclear event, was detonated at a depth of 278 m at the Nevada Test Site on December 18, 1970. Shortly after detonation, radioactive gases emanating from the cavity were released into the atmosphere through a shock-induced fissure near surface ground zero. Extensive geophysical investigations, coupled with a series of 1D and 2D computational studies were used to reconstruct the sequence of events that led to the catastrophic failure. However, the geological profile of the Baneberry site is complex and inherently three-dimensional, which meant that some geological features had to be simplified or ignored in the 2D simulations. This left open the possibility that features unaccounted for in the 2D simulations could have had an important influence on the eventual containment failure of the Baneberry event. This paper presents results from a high-fidelity 3D Baneberry simulation based on the most accurate geologic and geophysical data available. The results are compared with available data, and contrasted against the results of the previous 2D computational studies.

  20. 38 CFR 4.46 - Accurate measurement.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate... indispensable in examinations conducted within the Department of Veterans Affairs. Muscle atrophy must also be...