Simulation Higher Order Language Requirements Study.

ERIC Educational Resources Information Center

Goodenough, John B.; Braun, Christine L.

The definitions provided for high order language (HOL) requirements for programming flight training simulators are based on the analysis of programs written for a variety of simulators. Examples drawn from these programs are used to justify the need for certain HOL capabilities. A description of the general structure and organization of the…

Detailed analysis of the effects of stencil spatial variations with arbitrary high-order finite-difference Maxwell solver

DOE PAGES

Vincenti, H.; Vay, J. -L.

2015-11-22

Due to discretization effects and truncation to finite domains, many electromagnetic simulations present non-physical modifications of Maxwell's equations in space that may generate spurious signals affecting the overall accuracy of the result. Such modifications for instance occur when Perfectly Matched Layers (PMLs) are used at simulation domain boundaries to simulate open media. Another example is the use of arbitrary order Maxwell solver with domain decomposition technique that may under some condition involve stencil truncations at subdomain boundaries, resulting in small spurious errors that do eventually build up. In each case, a careful evaluation of the characteristics and magnitude of themore » errors resulting from these approximations, and their impact at any frequency and angle, requires detailed analytical and numerical studies. To this end, we present a general analytical approach that enables the evaluation of numerical discretization errors of fully three-dimensional arbitrary order finite-difference Maxwell solver, with arbitrary modification of the local stencil in the simulation domain. The analytical model is validated against simulations of domain decomposition technique and PMLs, when these are used with very high-order Maxwell solver, as well as in the infinite order limit of pseudo-spectral solvers. Results confirm that the new analytical approach enables exact predictions in each case. It also confirms that the domain decomposition technique can be used with very high-order Maxwell solver and a reasonably low number of guard cells with negligible effects on the whole accuracy of the simulation.« less

On the utility of GPU accelerated high-order methods for unsteady flow simulations: A comparison with industry-standard tools

NASA Astrophysics Data System (ADS)

Vermeire, B. C.; Witherden, F. D.; Vincent, P. E.

2017-04-01

First- and second-order accurate numerical methods, implemented for CPUs, underpin the majority of industrial CFD solvers. Whilst this technology has proven very successful at solving steady-state problems via a Reynolds Averaged Navier-Stokes approach, its utility for undertaking scale-resolving simulations of unsteady flows is less clear. High-order methods for unstructured grids and GPU accelerators have been proposed as an enabling technology for unsteady scale-resolving simulations of flow over complex geometries. In this study we systematically compare accuracy and cost of the high-order Flux Reconstruction solver PyFR running on GPUs and the industry-standard solver STAR-CCM+ running on CPUs when applied to a range of unsteady flow problems. Specifically, we perform comparisons of accuracy and cost for isentropic vortex advection (EV), decay of the Taylor-Green vortex (TGV), turbulent flow over a circular cylinder, and turbulent flow over an SD7003 aerofoil. We consider two configurations of STAR-CCM+: a second-order configuration, and a third-order configuration, where the latter was recommended by CD-adapco for more effective computation of unsteady flow problems. Results from both PyFR and STAR-CCM+ demonstrate that third-order schemes can be more accurate than second-order schemes for a given cost e.g. going from second- to third-order, the PyFR simulations of the EV and TGV achieve 75× and 3× error reduction respectively for the same or reduced cost, and STAR-CCM+ simulations of the cylinder recovered wake statistics significantly more accurately for only twice the cost. Moreover, advancing to higher-order schemes on GPUs with PyFR was found to offer even further accuracy vs. cost benefits relative to industry-standard tools.

On the utility of GPU accelerated high-order methods for unsteady flow simulations: A comparison with industry-standard tools

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

Vermeire, B.C., E-mail: brian.vermeire@concordia.ca; Witherden, F.D.; Vincent, P.E.

First- and second-order accurate numerical methods, implemented for CPUs, underpin the majority of industrial CFD solvers. Whilst this technology has proven very successful at solving steady-state problems via a Reynolds Averaged Navier–Stokes approach, its utility for undertaking scale-resolving simulations of unsteady flows is less clear. High-order methods for unstructured grids and GPU accelerators have been proposed as an enabling technology for unsteady scale-resolving simulations of flow over complex geometries. In this study we systematically compare accuracy and cost of the high-order Flux Reconstruction solver PyFR running on GPUs and the industry-standard solver STAR-CCM+ running on CPUs when applied to amore » range of unsteady flow problems. Specifically, we perform comparisons of accuracy and cost for isentropic vortex advection (EV), decay of the Taylor–Green vortex (TGV), turbulent flow over a circular cylinder, and turbulent flow over an SD7003 aerofoil. We consider two configurations of STAR-CCM+: a second-order configuration, and a third-order configuration, where the latter was recommended by CD-adapco for more effective computation of unsteady flow problems. Results from both PyFR and STAR-CCM+ demonstrate that third-order schemes can be more accurate than second-order schemes for a given cost e.g. going from second- to third-order, the PyFR simulations of the EV and TGV achieve 75× and 3× error reduction respectively for the same or reduced cost, and STAR-CCM+ simulations of the cylinder recovered wake statistics significantly more accurately for only twice the cost. Moreover, advancing to higher-order schemes on GPUs with PyFR was found to offer even further accuracy vs. cost benefits relative to industry-standard tools.« less

Parametric Study of Decay of Homogeneous Isotropic Turbulence Using Large Eddy Simulation

NASA Technical Reports Server (NTRS)

Swanson, R. C.; Rumsey, Christopher L.; Rubinstein, Robert; Balakumar, Ponnampalam; Zang, Thomas A.

2012-01-01

Numerical simulations of decaying homogeneous isotropic turbulence are performed with both low-order and high-order spatial discretization schemes. The turbulent Mach and Reynolds numbers for the simulations are 0.2 and 250, respectively. For the low-order schemes we use either second-order central or third-order upwind biased differencing. For higher order approximations we apply weighted essentially non-oscillatory (WENO) schemes, both with linear and nonlinear weights. There are two objectives in this preliminary effort to investigate possible schemes for large eddy simulation (LES). One is to explore the capability of a widely used low-order computational fluid dynamics (CFD) code to perform LES computations. The other is to determine the effect of higher order accuracy (fifth, seventh, and ninth order) achieved with high-order upwind biased WENO-based schemes. Turbulence statistics, such as kinetic energy, dissipation, and skewness, along with the energy spectra from simulations of the decaying turbulence problem are used to assess and compare the various numerical schemes. In addition, results from the best performing schemes are compared with those from a spectral scheme. The effects of grid density, ranging from 32 cubed to 192 cubed, on the computations are also examined. The fifth-order WENO-based scheme is found to be too dissipative, especially on the coarser grids. However, with the seventh-order and ninth-order WENO-based schemes we observe a significant improvement in accuracy relative to the lower order LES schemes, as revealed by the computed peak in the energy dissipation and by the energy spectrum.

Enhanced visual acuity and image perception following correction of highly aberrated eyes using an adaptive optics visual simulator.

PubMed

Rocha, Karolinne Maia; Vabre, Laurent; Chateau, Nicolas; Krueger, Ronald R

2010-01-01

To evaluate the changes in visual acuity and visual perception generated by correcting higher order aberrations in highly aberrated eyes using a large-stroke adaptive optics visual simulator. A crx1 Adaptive Optics Visual Simulator (Imagine Eyes) was used to correct and modify the wavefront aberrations in 12 keratoconic eyes and 8 symptomatic postoperative refractive surgery (LASIK) eyes. After measuring ocular aberrations, the device was programmed to compensate for the eye's wavefront error from the second order to the fifth order (6-mm pupil). Visual acuity was assessed through the adaptive optics system using computer-generated ETDRS opto-types and the Freiburg Visual Acuity and Contrast Test. Mean higher order aberration root-mean-square (RMS) errors in the keratoconus and symptomatic LASIK eyes were 1.88+/-0.99 microm and 1.62+/-0.79 microm (6-mm pupil), respectively. The visual simulator correction of the higher order aberrations present in the keratoconus eyes improved their visual acuity by a mean of 2 lines when compared to their best spherocylinder correction (mean decimal visual acuity with spherocylindrical correction was 0.31+/-0.18 and improved to 0.44+/-0.23 with higher order aberration correction). In the symptomatic LASIK eyes, the mean decimal visual acuity with spherocylindrical correction improved from 0.54+/-0.16 to 0.71+/-0.13 with higher order aberration correction. The visual perception of ETDRS letters was improved when correcting higher order aberrations. The adaptive optics visual simulator can effectively measure and compensate for higher order aberrations (second to fifth order), which are associated with diminished visual acuity and perception in highly aberrated eyes. The adaptive optics technology may be of clinical benefit when counseling patients with highly aberrated eyes regarding their maximum subjective potential for vision correction. Copyright 2010, SLACK Incorporated.

Modal analysis of the ultrahigh finesse Haroche QED cavity

NASA Astrophysics Data System (ADS)

Marsic, Nicolas; De Gersem, Herbert; Demésy, Guillaume; Nicolet, André; Geuzaine, Christophe

2018-04-01

In this paper, we study a high-order finite element approach to simulate an ultrahigh finesse Fabry–Pérot superconducting open resonator for cavity quantum electrodynamics. Because of its high quality factor, finding a numerically converged value of the damping time requires an extremely high spatial resolution. Therefore, the use of high-order simulation techniques appears appropriate. This paper considers idealized mirrors (no surface roughness and perfect geometry, just to cite a few hypotheses), and shows that under these assumptions, a damping time much higher than what is available in experimental measurements could be achieved. In addition, this work shows that both high-order discretizations of the governing equations and high-order representations of the curved geometry are mandatory for the computation of the damping time of such cavities.

A High-Resolution Capability for Large-Eddy Simulation of Jet Flows

NASA Technical Reports Server (NTRS)

DeBonis, James R.

2011-01-01

A large-eddy simulation (LES) code that utilizes high-resolution numerical schemes is described and applied to a compressible jet flow. The code is written in a general manner such that the accuracy/resolution of the simulation can be selected by the user. Time discretization is performed using a family of low-dispersion Runge-Kutta schemes, selectable from first- to fourth-order. Spatial discretization is performed using central differencing schemes. Both standard schemes, second- to twelfth-order (3 to 13 point stencils) and Dispersion Relation Preserving schemes from 7 to 13 point stencils are available. The code is written in Fortran 90 and uses hybrid MPI/OpenMP parallelization. The code is applied to the simulation of a Mach 0.9 jet flow. Four-stage third-order Runge-Kutta time stepping and the 13 point DRP spatial discretization scheme of Bogey and Bailly are used. The high resolution numerics used allows for the use of relatively sparse grids. Three levels of grid resolution are examined, 3.5, 6.5, and 9.2 million points. Mean flow, first-order turbulent statistics and turbulent spectra are reported. Good agreement with experimental data for mean flow and first-order turbulent statistics is shown.

Sixth- and eighth-order Hermite integrator for N-body simulations

NASA Astrophysics Data System (ADS)

Nitadori, Keigo; Makino, Junichiro

2008-10-01

We present sixth- and eighth-order Hermite integrators for astrophysical N-body simulations, which use the derivatives of accelerations up to second-order ( snap) and third-order ( crackle). These schemes do not require previous values for the corrector, and require only one previous value to construct the predictor. Thus, they are fairly easy to implement. The additional cost of the calculation of the higher-order derivatives is not very high. Even for the eighth-order scheme, the number of floating-point operations for force calculation is only about two times larger than that for traditional fourth-order Hermite scheme. The sixth-order scheme is better than the traditional fourth-order scheme for most cases. When the required accuracy is very high, the eighth-order one is the best. These high-order schemes have several practical advantages. For example, they allow a larger number of particles to be integrated in parallel than the fourth-order scheme does, resulting in higher execution efficiency in both general-purpose parallel computers and GRAPE systems.

Adaptive temperature-accelerated dynamics

NASA Astrophysics Data System (ADS)

Shim, Yunsic; Amar, Jacques G.

2011-02-01

We present three adaptive methods for optimizing the high temperature Thigh on-the-fly in temperature-accelerated dynamics (TAD) simulations. In all three methods, the high temperature is adjusted periodically in order to maximize the performance. While in the first two methods the adjustment depends on the number of observed events, the third method depends on the minimum activation barrier observed so far and requires an a priori knowledge of the optimal high temperature T^{opt}_{high}(E_a) as a function of the activation barrier Ea for each accepted event. In order to determine the functional form of T^{opt}_{high}(E_a), we have carried out extensive simulations of submonolayer annealing on the (100) surface for a variety of metals (Ag, Cu, Ni, Pd, and Au). While the results for all five metals are different, when they are scaled with the melting temperature Tm, we find that they all lie on a single scaling curve. Similar results have also been obtained for (111) surfaces although in this case the scaling function is slightly different. In order to test the performance of all three methods, we have also carried out adaptive TAD simulations of Ag/Ag(100) annealing and growth at T = 80 K and compared with fixed high-temperature TAD simulations for different values of Thigh. We find that the performance of all three adaptive methods is typically as good as or better than that obtained in fixed high-temperature TAD simulations carried out using the effective optimal fixed high temperature. In addition, we find that the final high temperatures obtained in our adaptive TAD simulations are very close to our results for T^{opt}_{high}(E_a). The applicability of the adaptive methods to a variety of TAD simulations is also briefly discussed.

Hybrid RANS-LES using high order numerical methods

NASA Astrophysics Data System (ADS)

Henry de Frahan, Marc; Yellapantula, Shashank; Vijayakumar, Ganesh; Knaus, Robert; Sprague, Michael

2017-11-01

Understanding the impact of wind turbine wake dynamics on downstream turbines is particularly important for the design of efficient wind farms. Due to their tractable computational cost, hybrid RANS/LES models are an attractive framework for simulating separation flows such as the wake dynamics behind a wind turbine. High-order numerical methods can be computationally efficient and provide increased accuracy in simulating complex flows. In the context of LES, high-order numerical methods have shown some success in predictions of turbulent flows. However, the specifics of hybrid RANS-LES models, including the transition region between both modeling frameworks, pose unique challenges for high-order numerical methods. In this work, we study the effect of increasing the order of accuracy of the numerical scheme in simulations of canonical turbulent flows using RANS, LES, and hybrid RANS-LES models. We describe the interactions between filtering, model transition, and order of accuracy and their effect on turbulence quantities such as kinetic energy spectra, boundary layer evolution, and dissipation rate. This work was funded by the U.S. Department of Energy, Exascale Computing Project, under Contract No. DE-AC36-08-GO28308 with the National Renewable Energy Laboratory.

A high-order language for a system of closely coupled processing elements

NASA Technical Reports Server (NTRS)

Feyock, S.; Collins, W. R.

1986-01-01

The research reported in this paper was occasioned by the requirements on part of the Real-Time Digital Simulator (RTDS) project under way at NASA Lewis Research Center. The RTDS simulation scheme employs a network of CPUs running lock-step cycles in the parallel computations of jet airplane simulations. Their need for a high order language (HOL) that would allow non-experts to write simulation applications and that could be implemented on a possibly varying network can best be fulfilled by using the programming language Ada. We describe how the simulation problems can be modeled in Ada, how to map a single, multi-processing Ada program into code for individual processors, regardless of network reconfiguration, and why some Ada language features are particulary well-suited to network simulations.

An adaptive discontinuous Galerkin solver for aerodynamic flows

NASA Astrophysics Data System (ADS)

Burgess, Nicholas K.

This work considers the accuracy, efficiency, and robustness of an unstructured high-order accurate discontinuous Galerkin (DG) solver for computational fluid dynamics (CFD). Recently, there has been a drive to reduce the discretization error of CFD simulations using high-order methods on unstructured grids. However, high-order methods are often criticized for lacking robustness and having high computational cost. The goal of this work is to investigate methods that enhance the robustness of high-order discontinuous Galerkin (DG) methods on unstructured meshes, while maintaining low computational cost and high accuracy of the numerical solutions. This work investigates robustness enhancement of high-order methods by examining effective non-linear solvers, shock capturing methods, turbulence model discretizations and adaptive refinement techniques. The goal is to develop an all encompassing solver that can simulate a large range of physical phenomena, where all aspects of the solver work together to achieve a robust, efficient and accurate solution strategy. The components and framework for a robust high-order accurate solver that is capable of solving viscous, Reynolds Averaged Navier-Stokes (RANS) and shocked flows is presented. In particular, this work discusses robust discretizations of the turbulence model equation used to close the RANS equations, as well as stable shock capturing strategies that are applicable across a wide range of discretization orders and applicable to very strong shock waves. Furthermore, refinement techniques are considered as both efficiency and robustness enhancement strategies. Additionally, efficient non-linear solvers based on multigrid and Krylov subspace methods are presented. The accuracy, efficiency, and robustness of the solver is demonstrated using a variety of challenging aerodynamic test problems, which include turbulent high-lift and viscous hypersonic flows. Adaptive mesh refinement was found to play a critical role in obtaining a robust and efficient high-order accurate flow solver. A goal-oriented error estimation technique has been developed to estimate the discretization error of simulation outputs. For high-order discretizations, it is shown that functional output error super-convergence can be obtained, provided the discretization satisfies a property known as dual consistency. The dual consistency of the DG methods developed in this work is shown via mathematical analysis and numerical experimentation. Goal-oriented error estimation is also used to drive an hp-adaptive mesh refinement strategy, where a combination of mesh or h-refinement, and order or p-enrichment, is employed based on the smoothness of the solution. The results demonstrate that the combination of goal-oriented error estimation and hp-adaptation yield superior accuracy, as well as enhanced robustness and efficiency for a variety of aerodynamic flows including flows with strong shock waves. This work demonstrates that DG discretizations can be the basis of an accurate, efficient, and robust CFD solver. Furthermore, enhancing the robustness of DG methods does not adversely impact the accuracy or efficiency of the solver for challenging and complex flow problems. In particular, when considering the computation of shocked flows, this work demonstrates that the available shock capturing techniques are sufficiently accurate and robust, particularly when used in conjunction with adaptive mesh refinement . This work also demonstrates that robust solutions of the Reynolds Averaged Navier-Stokes (RANS) and turbulence model equations can be obtained for complex and challenging aerodynamic flows. In this context, the most robust strategy was determined to be a low-order turbulence model discretization coupled to a high-order discretization of the RANS equations. Although RANS solutions using high-order accurate discretizations of the turbulence model were obtained, the behavior of current-day RANS turbulence models discretized to high-order was found to be problematic, leading to solver robustness issues. This suggests that future work is warranted in the area of turbulence model formulation for use with high-order discretizations. Alternately, the use of Large-Eddy Simulation (LES) subgrid scale models with high-order DG methods offers the potential to leverage the high accuracy of these methods for very high fidelity turbulent simulations. This thesis has developed the algorithmic improvements that will lay the foundation for the development of a three-dimensional high-order flow solution strategy that can be used as the basis for future LES simulations.

Methods for compressible fluid simulation on GPUs using high-order finite differences

NASA Astrophysics Data System (ADS)

Pekkilä, Johannes; Väisälä, Miikka S.; Käpylä, Maarit J.; Käpylä, Petri J.; Anjum, Omer

2017-08-01

We focus on implementing and optimizing a sixth-order finite-difference solver for simulating compressible fluids on a GPU using third-order Runge-Kutta integration. Since graphics processing units perform well in data-parallel tasks, this makes them an attractive platform for fluid simulation. However, high-order stencil computation is memory-intensive with respect to both main memory and the caches of the GPU. We present two approaches for simulating compressible fluids using 55-point and 19-point stencils. We seek to reduce the requirements for memory bandwidth and cache size in our methods by using cache blocking and decomposing a latency-bound kernel into several bandwidth-bound kernels. Our fastest implementation is bandwidth-bound and integrates 343 million grid points per second on a Tesla K40t GPU, achieving a 3 . 6 × speedup over a comparable hydrodynamics solver benchmarked on two Intel Xeon E5-2690v3 processors. Our alternative GPU implementation is latency-bound and achieves the rate of 168 million updates per second.

Optimizing of a high-order digital filter using PSO algorithm

NASA Astrophysics Data System (ADS)

Xu, Fuchun

2018-04-01

A self-adaptive high-order digital filter, which offers opportunity to simplify the process of tuning parameters and further improve the noise performance, is presented in this paper. The parameters of traditional digital filter are mainly tuned by complex calculation, whereas this paper presents a 5th order digital filter to obtain outstanding performance and the parameters of the proposed filter are optimized by swarm intelligent algorithm. Simulation results with respect to the proposed 5th order digital filter, SNR>122dB and the noise floor under -170dB are obtained in frequency range of [5-150Hz]. In further simulation, the robustness of the proposed 5th order digital is analyzed.

Nonlinear Legendre Spectral Finite Elements for Wind Turbine Blade Dynamics: Preprint

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

Wang, Q.; Sprague, M. A.; Jonkman, J.

2014-01-01

This paper presents a numerical implementation and examination of new wind turbine blade finite element model based on Geometrically Exact Beam Theory (GEBT) and a high-order spectral finite element method. The displacement-based GEBT is presented, which includes the coupling effects that exist in composite structures and geometric nonlinearity. Legendre spectral finite elements (LSFEs) are high-order finite elements with nodes located at the Gauss-Legendre-Lobatto points. LSFEs can be an order of magnitude more efficient that low-order finite elements for a given accuracy level. Interpolation of the three-dimensional rotation, a major technical barrier in large-deformation simulation, is discussed in the context ofmore » LSFEs. It is shown, by numerical example, that the high-order LSFEs, where weak forms are evaluated with nodal quadrature, do not suffer from a drawback that exists in low-order finite elements where the tangent-stiffness matrix is calculated at the Gauss points. Finally, the new LSFE code is implemented in the new FAST Modularization Framework for dynamic simulation of highly flexible composite-material wind turbine blades. The framework allows for fully interactive simulations of turbine blades in operating conditions. Numerical examples showing validation and LSFE performance will be provided in the final paper.« less

Modelling and simulation of a heat exchanger

NASA Technical Reports Server (NTRS)

Xia, Lei; Deabreu-Garcia, J. Alex; Hartley, Tom T.

1991-01-01

Two models for two different control systems are developed for a parallel heat exchanger. First by spatially lumping a heat exchanger model, a good approximate model which has a high system order is produced. Model reduction techniques are applied to these to obtain low order models that are suitable for dynamic analysis and control design. The simulation method is discussed to ensure a valid simulation result.

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

Vincenti, H.; Vay, J. -L.

Due to discretization effects and truncation to finite domains, many electromagnetic simulations present non-physical modifications of Maxwell's equations in space that may generate spurious signals affecting the overall accuracy of the result. Such modifications for instance occur when Perfectly Matched Layers (PMLs) are used at simulation domain boundaries to simulate open media. Another example is the use of arbitrary order Maxwell solver with domain decomposition technique that may under some condition involve stencil truncations at subdomain boundaries, resulting in small spurious errors that do eventually build up. In each case, a careful evaluation of the characteristics and magnitude of themore » errors resulting from these approximations, and their impact at any frequency and angle, requires detailed analytical and numerical studies. To this end, we present a general analytical approach that enables the evaluation of numerical discretization errors of fully three-dimensional arbitrary order finite-difference Maxwell solver, with arbitrary modification of the local stencil in the simulation domain. The analytical model is validated against simulations of domain decomposition technique and PMLs, when these are used with very high-order Maxwell solver, as well as in the infinite order limit of pseudo-spectral solvers. Results confirm that the new analytical approach enables exact predictions in each case. It also confirms that the domain decomposition technique can be used with very high-order Maxwell solver and a reasonably low number of guard cells with negligible effects on the whole accuracy of the simulation.« less

Discontinuous Galerkin Methods and High-Speed Turbulent Flows

NASA Astrophysics Data System (ADS)

Atak, Muhammed; Larsson, Johan; Munz, Claus-Dieter

2014-11-01

Discontinuous Galerkin methods gain increasing importance within the CFD community as they combine arbitrary high order of accuracy in complex geometries with parallel efficiency. Particularly the discontinuous Galerkin spectral element method (DGSEM) is a promising candidate for both the direct numerical simulation (DNS) and large eddy simulation (LES) of turbulent flows due to its excellent scaling attributes. In this talk, we present a DNS of a compressible turbulent boundary layer along a flat plate at a free-stream Mach number of M = 2.67 and assess the computational efficiency of the DGSEM at performing high-fidelity simulations of both transitional and turbulent boundary layers. We compare the accuracy of the results as well as the computational performance to results using a high order finite difference method.

A regularized vortex-particle mesh method for large eddy simulation

NASA Astrophysics Data System (ADS)

Spietz, H. J.; Walther, J. H.; Hejlesen, M. M.

2017-11-01

We present recent developments of the remeshed vortex particle-mesh method for simulating incompressible fluid flow. The presented method relies on a parallel higher-order FFT based solver for the Poisson equation. Arbitrary high order is achieved through regularization of singular Green's function solutions to the Poisson equation and recently we have derived novel high order solutions for a mixture of open and periodic domains. With this approach the simulated variables may formally be viewed as the approximate solution to the filtered Navier Stokes equations, hence we use the method for Large Eddy Simulation by including a dynamic subfilter-scale model based on test-filters compatible with the aforementioned regularization functions. Further the subfilter-scale model uses Lagrangian averaging, which is a natural candidate in light of the Lagrangian nature of vortex particle methods. A multiresolution variation of the method is applied to simulate the benchmark problem of the flow past a square cylinder at Re = 22000 and the obtained results are compared to results from the literature.

Reduction of Simulation Times for High-Q Structures using the Resonance Equation

DOE PAGES

Hall, Thomas Wesley; Bandaru, Prabhakar R.; Rees, Daniel Earl

2015-11-17

Simulating steady state performance of high quality factor (Q) resonant RF structures is computationally difficult for structures with sizes on the order of more than a few wavelengths because of the long times (on the order of ~ 0.1 ms) required to achieve steady state in comparison with maximum time step that can be used in the simulation (typically, on the order of ~ 1 ps). This paper presents analytical and computational approaches that can be used to accelerate the simulation of the steady state performance of such structures. The basis of the proposed approach is the utilization of amore » larger amplitude signal at the beginning to achieve steady state earlier relative to the nominal input signal. Finally, the methodology for finding the necessary input signal is then discussed in detail, and the validity of the approach is evaluated.« less

The Development of the Simulation Thinking Rubric

ERIC Educational Resources Information Center

Doolen, Jessica

2012-01-01

High fidelity simulation has become a widespread and costly learning strategy in nursing education because it can fill the gap left by a shortage of clinical sites. In addition, high fidelity simulation is an active learning strategy that is thought to increase higher order thinking such as clinical reasoning and judgment skills in nursing…

Earthquake Rupture Dynamics using Adaptive Mesh Refinement and High-Order Accurate Numerical Methods

NASA Astrophysics Data System (ADS)

Kozdon, J. E.; Wilcox, L.

2013-12-01

Our goal is to develop scalable and adaptive (spatial and temporal) numerical methods for coupled, multiphysics problems using high-order accurate numerical methods. To do so, we are developing an opensource, parallel library known as bfam (available at http://bfam.in). The first application to be developed on top of bfam is an earthquake rupture dynamics solver using high-order discontinuous Galerkin methods and summation-by-parts finite difference methods. In earthquake rupture dynamics, wave propagation in the Earth's crust is coupled to frictional sliding on fault interfaces. This coupling is two-way, required the simultaneous simulation of both processes. The use of laboratory-measured friction parameters requires near-fault resolution that is 4-5 orders of magnitude higher than that needed to resolve the frequencies of interest in the volume. This, along with earlier simulations using a low-order, finite volume based adaptive mesh refinement framework, suggest that adaptive mesh refinement is ideally suited for this problem. The use of high-order methods is motivated by the high level of resolution required off the fault in earlier the low-order finite volume simulations; we believe this need for resolution is a result of the excessive numerical dissipation of low-order methods. In bfam spatial adaptivity is handled using the p4est library and temporal adaptivity will be accomplished through local time stepping. In this presentation we will present the guiding principles behind the library as well as verification of code against the Southern California Earthquake Center dynamic rupture code validation test problems.

Hybrid DG/FV schemes for magnetohydrodynamics and relativistic hydrodynamics

NASA Astrophysics Data System (ADS)

Núñez-de la Rosa, Jonatan; Munz, Claus-Dieter

2018-01-01

This paper presents a high order hybrid discontinuous Galerkin/finite volume scheme for solving the equations of the magnetohydrodynamics (MHD) and of the relativistic hydrodynamics (SRHD) on quadrilateral meshes. In this approach, for the spatial discretization, an arbitrary high order discontinuous Galerkin spectral element (DG) method is combined with a finite volume (FV) scheme in order to simulate complex flow problems involving strong shocks. Regarding the time discretization, a fourth order strong stability preserving Runge-Kutta method is used. In the proposed hybrid scheme, a shock indicator is computed at the beginning of each Runge-Kutta stage in order to flag those elements containing shock waves or discontinuities. Subsequently, the DG solution in these troubled elements and in the current time step is projected onto a subdomain composed of finite volume subcells. Right after, the DG operator is applied to those unflagged elements, which, in principle, are oscillation-free, meanwhile the troubled elements are evolved with a robust second/third order FV operator. With this approach we are able to numerically simulate very challenging problems in the context of MHD and SRHD in one, and two space dimensions and with very high order polynomials. We make convergence tests and show a comprehensive one- and two dimensional testbench for both equation systems, focusing in problems with strong shocks. The presented hybrid approach shows that numerical schemes of very high order of accuracy are able to simulate these complex flow problems in an efficient and robust manner.

Molecular Dynamics Simulation of the Three-Dimensional Ordered State in Laser-Cooled Heavy-Ion Beams

NASA Astrophysics Data System (ADS)

Yuri, Yosuke

A molecular dynamics simulation is performed to study the formation of three-dimensional ordered beams by laser cooling in a cooler storage ring. Ultralow-temperature heavy-ion beams are generated by transverse cooling with displaced Gaussian lasers and resonant coupling. A three-dimensional ordered state of the ion beam is attained at a high line density. The ordered beam exhibits several unique characteristics different from those of an ideal crystalline beam.

High-Order Multioperator Compact Schemes for Numerical Simulation of Unsteady Subsonic Airfoil Flow

NASA Astrophysics Data System (ADS)

Savel'ev, A. D.

2018-02-01

On the basis of high-order schemes, the viscous gas flow over the NACA2212 airfoil is numerically simulated at a free-stream Mach number of 0.3 and Reynolds numbers ranging from 103 to 107. Flow regimes sequentially varying due to variations in the free-stream viscosity are considered. Vortex structures developing on the airfoil surface are investigated, and a physical interpretation of this phenomenon is given.

Exploring Model Assumptions Through Three Dimensional Mixing Simulations Using a High-order Hydro Option in the Ares Code

NASA Astrophysics Data System (ADS)

White, Justin; Olson, Britton; Morgan, Brandon; McFarland, Jacob; Lawrence Livermore National Laboratory Team; University of Missouri-Columbia Team

2015-11-01

This work presents results from a large eddy simulation of a high Reynolds number Rayleigh-Taylor instability and Richtmyer-Meshkov instability. A tenth-order compact differencing scheme on a fixed Eulerian mesh is utilized within the Ares code developed at Lawrence Livermore National Laboratory. (LLNL) We explore the self-similar limit of the mixing layer growth in order to evaluate the k-L-a Reynolds Averaged Navier Stokes (RANS) model (Morgan and Wickett, Phys. Rev. E, 2015). Furthermore, profiles of turbulent kinetic energy, turbulent length scale, mass flux velocity, and density-specific-volume correlation are extracted in order to aid the creation a high fidelity LES data set for RANS modeling. Prepared by LLNL under Contract DE-AC52-07NA27344.

Modeling and simulation of continuous wave velocity radar based on third-order DPLL

NASA Astrophysics Data System (ADS)

Di, Yan; Zhu, Chen; Hong, Ma

2015-02-01

Second-order digital phase-locked-loop (DPLL) is widely used in traditional Continuous wave (CW) velocity radar with poor performance in high dynamic conditions. Using the third-order DPLL can improve the performance. Firstly, the echo signal model of CW radar is given. Secondly, theoretical derivations of the tracking performance in different velocity conditions are given. Finally, simulation model of CW radar is established based on Simulink tool. Tracking performance of the two kinds of DPLL in different acceleration and jerk conditions is studied by this model. The results show that third-order PLL has better performance in high dynamic conditions. This model provides a platform for further research of CW radar.

Regression-based reduced-order models to predict transient thermal output for enhanced geothermal systems

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

Mudunuru, Maruti Kumar; Karra, Satish; Harp, Dylan Robert

Reduced-order modeling is a promising approach, as many phenomena can be described by a few parameters/mechanisms. An advantage and attractive aspect of a reduced-order model is that it is computational inexpensive to evaluate when compared to running a high-fidelity numerical simulation. A reduced-order model takes couple of seconds to run on a laptop while a high-fidelity simulation may take couple of hours to run on a high-performance computing cluster. The goal of this paper is to assess the utility of regression-based reduced-order models (ROMs) developed from high-fidelity numerical simulations for predicting transient thermal power output for an enhanced geothermal reservoirmore » while explicitly accounting for uncertainties in the subsurface system and site-specific details. Numerical simulations are performed based on equally spaced values in the specified range of model parameters. Key sensitive parameters are then identified from these simulations, which are fracture zone permeability, well/skin factor, bottom hole pressure, and injection flow rate. We found the fracture zone permeability to be the most sensitive parameter. The fracture zone permeability along with time, are used to build regression-based ROMs for the thermal power output. The ROMs are trained and validated using detailed physics-based numerical simulations. Finally, predictions from the ROMs are then compared with field data. We propose three different ROMs with different levels of model parsimony, each describing key and essential features of the power production curves. The coefficients in the proposed regression-based ROMs are developed by minimizing a non-linear least-squares misfit function using the Levenberg–Marquardt algorithm. The misfit function is based on the difference between numerical simulation data and reduced-order model. ROM-1 is constructed based on polynomials up to fourth order. ROM-1 is able to accurately reproduce the power output of numerical simulations for low values of permeabilities and certain features of the field-scale data. ROM-2 is a model with more analytical functions consisting of polynomials up to order eight, exponential functions and smooth approximations of Heaviside functions, and accurately describes the field-data. At higher permeabilities, ROM-2 reproduces numerical results better than ROM-1, however, there is a considerable deviation from numerical results at low fracture zone permeabilities. ROM-3 consists of polynomials up to order ten, and is developed by taking the best aspects of ROM-1 and ROM-2. ROM-1 is relatively parsimonious than ROM-2 and ROM-3, while ROM-2 overfits the data. ROM-3 on the other hand, provides a middle ground for model parsimony. Based on R 2-values for training, validation, and prediction data sets we found that ROM-3 is better model than ROM-2 and ROM-1. For predicting thermal drawdown in EGS applications, where high fracture zone permeabilities (typically greater than 10 –15 m 2) are desired, ROM-2 and ROM-3 outperform ROM-1. As per computational time, all the ROMs are 10 4 times faster when compared to running a high-fidelity numerical simulation. In conclusion, this makes the proposed regression-based ROMs attractive for real-time EGS applications because they are fast and provide reasonably good predictions for thermal power output.« less

Regression-based reduced-order models to predict transient thermal output for enhanced geothermal systems

DOE PAGES

Mudunuru, Maruti Kumar; Karra, Satish; Harp, Dylan Robert; ...

2017-07-10

Reduced-order modeling is a promising approach, as many phenomena can be described by a few parameters/mechanisms. An advantage and attractive aspect of a reduced-order model is that it is computational inexpensive to evaluate when compared to running a high-fidelity numerical simulation. A reduced-order model takes couple of seconds to run on a laptop while a high-fidelity simulation may take couple of hours to run on a high-performance computing cluster. The goal of this paper is to assess the utility of regression-based reduced-order models (ROMs) developed from high-fidelity numerical simulations for predicting transient thermal power output for an enhanced geothermal reservoirmore » while explicitly accounting for uncertainties in the subsurface system and site-specific details. Numerical simulations are performed based on equally spaced values in the specified range of model parameters. Key sensitive parameters are then identified from these simulations, which are fracture zone permeability, well/skin factor, bottom hole pressure, and injection flow rate. We found the fracture zone permeability to be the most sensitive parameter. The fracture zone permeability along with time, are used to build regression-based ROMs for the thermal power output. The ROMs are trained and validated using detailed physics-based numerical simulations. Finally, predictions from the ROMs are then compared with field data. We propose three different ROMs with different levels of model parsimony, each describing key and essential features of the power production curves. The coefficients in the proposed regression-based ROMs are developed by minimizing a non-linear least-squares misfit function using the Levenberg–Marquardt algorithm. The misfit function is based on the difference between numerical simulation data and reduced-order model. ROM-1 is constructed based on polynomials up to fourth order. ROM-1 is able to accurately reproduce the power output of numerical simulations for low values of permeabilities and certain features of the field-scale data. ROM-2 is a model with more analytical functions consisting of polynomials up to order eight, exponential functions and smooth approximations of Heaviside functions, and accurately describes the field-data. At higher permeabilities, ROM-2 reproduces numerical results better than ROM-1, however, there is a considerable deviation from numerical results at low fracture zone permeabilities. ROM-3 consists of polynomials up to order ten, and is developed by taking the best aspects of ROM-1 and ROM-2. ROM-1 is relatively parsimonious than ROM-2 and ROM-3, while ROM-2 overfits the data. ROM-3 on the other hand, provides a middle ground for model parsimony. Based on R 2-values for training, validation, and prediction data sets we found that ROM-3 is better model than ROM-2 and ROM-1. For predicting thermal drawdown in EGS applications, where high fracture zone permeabilities (typically greater than 10 –15 m 2) are desired, ROM-2 and ROM-3 outperform ROM-1. As per computational time, all the ROMs are 10 4 times faster when compared to running a high-fidelity numerical simulation. In conclusion, this makes the proposed regression-based ROMs attractive for real-time EGS applications because they are fast and provide reasonably good predictions for thermal power output.« less

Stimulation of a turbofan engine for evaluation of multivariable optimal control concepts. [(computerized simulation)

NASA Technical Reports Server (NTRS)

Seldner, K.

1976-01-01

The development of control systems for jet engines requires a real-time computer simulation. The simulation provides an effective tool for evaluating control concepts and problem areas prior to actual engine testing. The development and use of a real-time simulation of the Pratt and Whitney F100-PW100 turbofan engine is described. The simulation was used in a multi-variable optimal controls research program using linear quadratic regulator theory. The simulation is used to generate linear engine models at selected operating points and evaluate the control algorithm. To reduce the complexity of the design, it is desirable to reduce the order of the linear model. A technique to reduce the order of the model; is discussed. Selected results between high and low order models are compared. The LQR control algorithms can be programmed on digital computer. This computer will control the engine simulation over the desired flight envelope.

Charge breeding simulations for radioactive ion beam production

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

Variale, V.; Raino, A. C.; Clauser, T.

2012-02-15

The charge breeding technique is used for radioactive ion beam (RIB) production in order of optimizing the re-acceleration of the radioactive element ions produced by a primary beam in a thick target. Charge breeding is achieved by means of a device capable of increasing the ion charge state from 1+ to a desired value n+. In order to get high intensity RIB, experiments with charge breeding of very high efficiency could be required. To reach this goal, the charge breeding simulation could help to optimize the high charge state production efficiency by finding more proper parameters for the radioactive 1+more » ions. In this paper a device based on an electron beam ion source (EBIS) is considered. In order to study that problem, a code already developed for studying the ion selective containment in an EBIS with RF quadrupoles, BRICTEST, has been modified to simulate the ion charge state breeding rate for different 1+ ion injection conditions. Particularly, the charge breeding simulations for an EBIS with a hollow electron beam have been studied.« less

REVEAL: An Extensible Reduced Order Model Builder for Simulation and Modeling

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

Agarwal, Khushbu; Sharma, Poorva; Ma, Jinliang

2013-04-30

Many science domains need to build computationally efficient and accurate representations of high fidelity, computationally expensive simulations. These computationally efficient versions are known as reduced-order models. This paper presents the design and implementation of a novel reduced-order model (ROM) builder, the REVEAL toolset. This toolset generates ROMs based on science- and engineering-domain specific simulations executed on high performance computing (HPC) platforms. The toolset encompasses a range of sampling and regression methods that can be used to generate a ROM, automatically quantifies the ROM accuracy, and provides support for an iterative approach to improve ROM accuracy. REVEAL is designed to bemore » extensible in order to utilize the core functionality with any simulator that has published input and output formats. It also defines programmatic interfaces to include new sampling and regression techniques so that users can ‘mix and match’ mathematical techniques to best suit the characteristics of their model. In this paper, we describe the architecture of REVEAL and demonstrate its usage with a computational fluid dynamics model used in carbon capture.« less

Advanced simulation and analysis of a geopotential research mission

NASA Technical Reports Server (NTRS)

Schutz, B. E.

1988-01-01

Computer simulations have been performed for an orbital gradiometer mission to assist in the study of high degree and order gravity field recovery. The simulations were conducted for a satellite in near-circular, frozen orbit at a 160-km altitude using a gravitational field complete to degree and order 360. The mission duration is taken to be 32 days. The simulation provides a set of measurements to assist in the evaluation of techniques developed for the determination of the gravity field. Also, the simulation provides an ephemeris to study available tracking systems to satisfy the orbit determination requirements of the mission.

A high order compact least-squares reconstructed discontinuous Galerkin method for the steady-state compressible flows on hybrid grids

NASA Astrophysics Data System (ADS)

Cheng, Jian; Zhang, Fan; Liu, Tiegang

2018-06-01

In this paper, a class of new high order reconstructed DG (rDG) methods based on the compact least-squares (CLS) reconstruction [23,24] is developed for simulating the two dimensional steady-state compressible flows on hybrid grids. The proposed method combines the advantages of the DG discretization with the flexibility of the compact least-squares reconstruction, which exhibits its superior potential in enhancing the level of accuracy and reducing the computational cost compared to the underlying DG methods with respect to the same number of degrees of freedom. To be specific, a third-order compact least-squares rDG(p1p2) method and a fourth-order compact least-squares rDG(p2p3) method are developed and investigated in this work. In this compact least-squares rDG method, the low order degrees of freedom are evolved through the underlying DG(p1) method and DG(p2) method, respectively, while the high order degrees of freedom are reconstructed through the compact least-squares reconstruction, in which the constitutive relations are built by requiring the reconstructed polynomial and its spatial derivatives on the target cell to conserve the cell averages and the corresponding spatial derivatives on the face-neighboring cells. The large sparse linear system resulted by the compact least-squares reconstruction can be solved relatively efficient when it is coupled with the temporal discretization in the steady-state simulations. A number of test cases are presented to assess the performance of the high order compact least-squares rDG methods, which demonstrates their potential to be an alternative approach for the high order numerical simulations of steady-state compressible flows.

Effects of Boron and Graphite Uncertainty in Fuel for TREAT Simulations

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

Vaughn, Kyle; Mausolff, Zander; Gonzalez, Esteban

Advanced modeling techniques and current computational capacity make full core TREAT simulations possible, with the goal of such simulations to understand the pre-test core and minimize the number of required calibrations. But, in order to simulate TREAT with a high degree of precision the reactor materials and geometry must also be modeled with a high degree of precision. This paper examines how uncertainty in the reported values of boron and graphite have an effect on simulations of TREAT.

Optical design of a high-power LED-based solar simulator

NASA Astrophysics Data System (ADS)

Toro-Betancur, Veronica; Velásquez-López, Alejandro; Velásquez, David; Acevedo-Gómez, David

2016-04-01

The optical design of a High-Power LED based Solar Simulator was made in order to reach the AM1.5G spectrum standards. An optical model of the light emitted by the LEDs was made and used for spectral intensities calculations and the light intensity uniformity was optimized. A class AAA solar simulator was designed using a hexagonal LED distribution.

Comparison of High-Order and Low-Order Methods for Large-Eddy Simulation of a Compressible Shear Layer

NASA Technical Reports Server (NTRS)

Mankbadi, M. R.; Georgiadis, N. J.; DeBonis, J. R.

2015-01-01

The objective of this work is to compare a high-order solver with a low-order solver for performing large-eddy simulations (LES) of a compressible mixing layer. The high-order method is the Wave-Resolving LES (WRLES) solver employing a Dispersion Relation Preserving (DRP) scheme. The low-order solver is the Wind-US code, which employs the second-order Roe Physical scheme. Both solvers are used to perform LES of the turbulent mixing between two supersonic streams at a convective Mach number of 0.46. The high-order and low-order methods are evaluated at two different levels of grid resolution. For a fine grid resolution, the low-order method produces a very similar solution to the high-order method. At this fine resolution the effects of numerical scheme, subgrid scale modeling, and filtering were found to be negligible. Both methods predict turbulent stresses that are in reasonable agreement with experimental data. However, when the grid resolution is coarsened, the difference between the two solvers becomes apparent. The low-order method deviates from experimental results when the resolution is no longer adequate. The high-order DRP solution shows minimal grid dependence. The effects of subgrid scale modeling and spatial filtering were found to be negligible at both resolutions. For the high-order solver on the fine mesh, a parametric study of the spanwise width was conducted to determine its effect on solution accuracy. An insufficient spanwise width was found to impose an artificial spanwise mode and limit the resolved spanwise modes. We estimate that the spanwise depth needs to be 2.5 times larger than the largest coherent structures to capture the largest spanwise mode and accurately predict turbulent mixing.

Parallel Adaptive High-Order CFD Simulations Characterizing Cavity Acoustics for the Complete SOFIA Aircraft

NASA Technical Reports Server (NTRS)

Barad, Michael F.; Brehm, Christoph; Kiris, Cetin C.; Biswas, Rupak

2014-01-01

This paper presents one-of-a-kind MPI-parallel computational fluid dynamics simulations for the Stratospheric Observatory for Infrared Astronomy (SOFIA). SOFIA is an airborne, 2.5-meter infrared telescope mounted in an open cavity in the aft of a Boeing 747SP. These simulations focus on how the unsteady flow field inside and over the cavity interferes with the optical path and mounting of the telescope. A temporally fourth-order Runge-Kutta, and spatially fifth-order WENO-5Z scheme was used to perform implicit large eddy simulations. An immersed boundary method provides automated gridding for complex geometries and natural coupling to a block-structured Cartesian adaptive mesh refinement framework. Strong scaling studies using NASA's Pleiades supercomputer with up to 32,000 cores and 4 billion cells shows excellent scaling. Dynamic load balancing based on execution time on individual AMR blocks addresses irregularities caused by the highly complex geometry. Limits to scaling beyond 32K cores are identified, and targeted code optimizations are discussed.

Prediction of Ordered Water Molecules in Protein Binding Sites from Molecular Dynamics Simulations: The Impact of Ligand Binding on Hydration Networks.

PubMed

Rudling, Axel; Orro, Adolfo; Carlsson, Jens

2018-02-26

Water plays a major role in ligand binding and is attracting increasing attention in structure-based drug design. Water molecules can make large contributions to binding affinity by bridging protein-ligand interactions or by being displaced upon complex formation, but these phenomena are challenging to model at the molecular level. Herein, networks of ordered water molecules in protein binding sites were analyzed by clustering of molecular dynamics (MD) simulation trajectories. Locations of ordered waters (hydration sites) were first identified from simulations of high resolution crystal structures of 13 protein-ligand complexes. The MD-derived hydration sites reproduced 73% of the binding site water molecules observed in the crystal structures. If the simulations were repeated without the cocrystallized ligands, a majority (58%) of the crystal waters in the binding sites were still predicted. In addition, comparison of the hydration sites obtained from simulations carried out in the absence of ligands to those identified for the complexes revealed that the networks of ordered water molecules were preserved to a large extent, suggesting that the locations of waters in a protein-ligand interface are mainly dictated by the protein. Analysis of >1000 crystal structures showed that hydration sites bridged protein-ligand interactions in complexes with different ligands, and those with high MD-derived occupancies were more likely to correspond to experimentally observed ordered water molecules. The results demonstrate that ordered water molecules relevant for modeling of protein-ligand complexes can be identified from MD simulations. Our findings could contribute to development of improved methods for structure-based virtual screening and lead optimization.

Dynamical simulation of E-ELT segmented primary mirror

NASA Astrophysics Data System (ADS)

Sedghi, B.; Muller, M.; Bauvir, B.

2011-09-01

The dynamical behavior of the primary mirror (M1) has an important impact on the control of the segments and the performance of the telescope. Control of large segmented mirrors with a large number of actuators and sensors and multiple control loops in real life is a challenging problem. In virtual life, modeling, simulation and analysis of the M1 bears similar difficulties and challenges. In order to capture the dynamics of the segment subunits (high frequency modes) and the telescope back structure (low frequency modes), high order dynamical models with a very large number of inputs and outputs need to be simulated. In this paper, different approaches for dynamical modeling and simulation of the M1 segmented mirror subject to various perturbations, e.g. sensor noise, wind load, vibrations, earthquake are presented.

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.

A stable high-order perturbation of surfaces method for numerical simulation of diffraction problems in triply layered media

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

Hong, Youngjoon, E-mail: hongy@uic.edu; Nicholls, David P., E-mail: davidn@uic.edu

The accurate numerical simulation of linear waves interacting with periodic layered media is a crucial capability in engineering applications. In this contribution we study the stable and high-order accurate numerical simulation of the interaction of linear, time-harmonic waves with a periodic, triply layered medium with irregular interfaces. In contrast with volumetric approaches, High-Order Perturbation of Surfaces (HOPS) algorithms are inexpensive interfacial methods which rapidly and recursively estimate scattering returns by perturbation of the interface shape. In comparison with Boundary Integral/Element Methods, the stable HOPS algorithm we describe here does not require specialized quadrature rules, periodization strategies, or the solution ofmore » dense non-symmetric positive definite linear systems. In addition, the algorithm is provably stable as opposed to other classical HOPS approaches. With numerical experiments we show the remarkable efficiency, fidelity, and accuracy one can achieve with an implementation of this algorithm.« less

LES of Temporally Evolving Mixing Layers by an Eighth-Order Filter Scheme

NASA Technical Reports Server (NTRS)

Hadjadj, A; Yee, H. C.; Sjogreen, B.

2011-01-01

An eighth-order filter method for a wide range of compressible flow speeds (H.C. Yee and B. Sjogreen, Proceedings of ICOSAHOM09, June 22-26, 2009, Trondheim, Norway) are employed for large eddy simulations (LES) of temporally evolving mixing layers (TML) for different convective Mach numbers (Mc) and Reynolds numbers. The high order filter method is designed for accurate and efficient simulations of shock-free compressible turbulence, turbulence with shocklets and turbulence with strong shocks with minimum tuning of scheme parameters. The value of Mc considered is for the TML range from the quasi-incompressible regime to the highly compressible supersonic regime. The three main characteristics of compressible TML (the self similarity property, compressibility effects and the presence of large-scale structure with shocklets for high Mc) are considered for the LES study. The LES results using the same scheme parameters for all studied cases agree well with experimental results of Barone et al. (2006), and published direct numerical simulations (DNS) work of Rogers & Moser (1994) and Pantano & Sarkar (2002).

A fully-coupled discontinuous Galerkin spectral element method for two-phase flow in petroleum reservoirs

NASA Astrophysics Data System (ADS)

Taneja, Ankur; Higdon, Jonathan

2018-01-01

A high-order spectral element discontinuous Galerkin method is presented for simulating immiscible two-phase flow in petroleum reservoirs. The governing equations involve a coupled system of strongly nonlinear partial differential equations for the pressure and fluid saturation in the reservoir. A fully implicit method is used with a high-order accurate time integration using an implicit Rosenbrock method. Numerical tests give the first demonstration of high order hp spatial convergence results for multiphase flow in petroleum reservoirs with industry standard relative permeability models. High order convergence is shown formally for spectral elements with up to 8th order polynomials for both homogeneous and heterogeneous permeability fields. Numerical results are presented for multiphase fluid flow in heterogeneous reservoirs with complex geometric or geologic features using up to 11th order polynomials. Robust, stable simulations are presented for heterogeneous geologic features, including globally heterogeneous permeability fields, anisotropic permeability tensors, broad regions of low-permeability, high-permeability channels, thin shale barriers and thin high-permeability fractures. A major result of this paper is the demonstration that the resolution of the high order spectral element method may be exploited to achieve accurate results utilizing a simple cartesian mesh for non-conforming geological features. Eliminating the need to mesh to the boundaries of geological features greatly simplifies the workflow for petroleum engineers testing multiple scenarios in the face of uncertainty in the subsurface geology.

Semi-automatic sparse preconditioners for high-order finite element methods on non-uniform meshes

NASA Astrophysics Data System (ADS)

Austin, Travis M.; Brezina, Marian; Jamroz, Ben; Jhurani, Chetan; Manteuffel, Thomas A.; Ruge, John

2012-05-01

High-order finite elements often have a higher accuracy per degree of freedom than the classical low-order finite elements. However, in the context of implicit time-stepping methods, high-order finite elements present challenges to the construction of efficient simulations due to the high cost of inverting the denser finite element matrix. There are many cases where simulations are limited by the memory required to store the matrix and/or the algorithmic components of the linear solver. We are particularly interested in preconditioned Krylov methods for linear systems generated by discretization of elliptic partial differential equations with high-order finite elements. Using a preconditioner like Algebraic Multigrid can be costly in terms of memory due to the need to store matrix information at the various levels. We present a novel method for defining a preconditioner for systems generated by high-order finite elements that is based on a much sparser system than the original high-order finite element system. We investigate the performance for non-uniform meshes on a cube and a cubed sphere mesh, showing that the sparser preconditioner is more efficient and uses significantly less memory. Finally, we explore new methods to construct the sparse preconditioner and examine their effectiveness for non-uniform meshes. We compare results to a direct use of Algebraic Multigrid as a preconditioner and to a two-level additive Schwarz method.

Time-Accurate Local Time Stepping and High-Order Time CESE Methods for Multi-Dimensional Flows Using Unstructured Meshes

NASA Technical Reports Server (NTRS)

Chang, Chau-Lyan; Venkatachari, Balaji Shankar; Cheng, Gary

2013-01-01

With the wide availability of affordable multiple-core parallel supercomputers, next generation numerical simulations of flow physics are being focused on unsteady computations for problems involving multiple time scales and multiple physics. These simulations require higher solution accuracy than most algorithms and computational fluid dynamics codes currently available. This paper focuses on the developmental effort for high-fidelity multi-dimensional, unstructured-mesh flow solvers using the space-time conservation element, solution element (CESE) framework. Two approaches have been investigated in this research in order to provide high-accuracy, cross-cutting numerical simulations for a variety of flow regimes: 1) time-accurate local time stepping and 2) highorder CESE method. The first approach utilizes consistent numerical formulations in the space-time flux integration to preserve temporal conservation across the cells with different marching time steps. Such approach relieves the stringent time step constraint associated with the smallest time step in the computational domain while preserving temporal accuracy for all the cells. For flows involving multiple scales, both numerical accuracy and efficiency can be significantly enhanced. The second approach extends the current CESE solver to higher-order accuracy. Unlike other existing explicit high-order methods for unstructured meshes, the CESE framework maintains a CFL condition of one for arbitrarily high-order formulations while retaining the same compact stencil as its second-order counterpart. For large-scale unsteady computations, this feature substantially enhances numerical efficiency. Numerical formulations and validations using benchmark problems are discussed in this paper along with realistic examples.

Simulation of FIB-SEM images for analysis of porous microstructures.

PubMed

Prill, Torben; Schladitz, Katja

2013-01-01

Focused ion beam nanotomography-scanning electron microscopy tomography yields high-quality three-dimensional images of materials microstructures at the nanometer scale combining serial sectioning using a focused ion beam with SEM. However, FIB-SEM tomography of highly porous media leads to shine-through artifacts preventing automatic segmentation of the solid component. We simulate the SEM process in order to generate synthetic FIB-SEM image data for developing and validating segmentation methods. Monte-Carlo techniques yield accurate results, but are too slow for the simulation of FIB-SEM tomography requiring hundreds of SEM images for one dataset alone. Nevertheless, a quasi-analytic description of the specimen and various acceleration techniques, including a track compression algorithm and an acceleration for the simulation of secondary electrons, cut down the computing time by orders of magnitude, allowing for the first time to simulate FIB-SEM tomography. © Wiley Periodicals, Inc.

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.

Simulation on Change Law of Runoff, Sediment and Non-point Source Nitrogen and Phosphorus Discharge under Different Land uses Based on SWAT Model: A Case Study of Er hai Lake Small Watershed

NASA Astrophysics Data System (ADS)

Tong, Xiao Xia; Lai Cui, Yuan; Chen, Man Yu; Hu, Bo; Xu, Wen Sheng

2018-05-01

The Er yuan watershed of Er hai district is chosen as the research area, the law of runoff and sediment and non-point source nitrogen and phosphorus discharges under different land uses during 2001 to 2014 are simulated based on SWAT model. Results of simulation indicate that the order of total runoff yield of different land use type from high to low is grassland, paddy fields, dry land. Specifically, the order of surface runoff yield from high to low is paddy fields, dry land, grassland, the order of lateral runoff yield from high to low is paddy fields, dry land, grassland, the order of groundwater runoff yield from high to low is grassland, paddy fields, dry land. The orders of sediment and nitrogen and phosphorus yield per unit area of different land use type are the same, grassland> paddy fields> dry land. It can be seen, nitrogen and phosphorus discharges from paddy fields and dry land are the main sources of agricultural non-point pollution of the irrigated area. Therefore, reasonable field management measures which can decrease the discharge of nitrogen and phosphorus of paddy fields and dry land are the key to agricultural non-point source pollution prevention and control.

DNS of Low-Pressure Turbine Cascade Flows with Elevated Inflow Turbulence Using a Discontinuous-Galerkin Spectral-Element Method

NASA Technical Reports Server (NTRS)

Garai, Anirban; Diosady, Laslo T.; Murman, Scott M.; Madavan, Nateri K.

2016-01-01

Recent progress towards developing a new computational capability for accurate and efficient high-fidelity direct numerical simulation (DNS) and large-eddy simulation (LES) of turbomachinery is described. This capability is based on an entropy- stable Discontinuous-Galerkin spectral-element approach that extends to arbitrarily high orders of spatial and temporal accuracy, and is implemented in a computationally efficient manner on a modern high performance computer architecture. An inflow turbulence generation procedure based on a linear forcing approach has been incorporated in this framework and DNS conducted to study the effect of inflow turbulence on the suction- side separation bubble in low-pressure turbine (LPT) cascades. The T106 series of airfoil cascades in both lightly (T106A) and highly loaded (T106C) configurations at exit isentropic Reynolds numbers of 60,000 and 80,000, respectively, are considered. The numerical simulations are performed using 8th-order accurate spatial and 4th-order accurate temporal discretization. The changes in separation bubble topology due to elevated inflow turbulence is captured by the present method and the physical mechanisms leading to the changes are explained. The present results are in good agreement with prior numerical simulations but some expected discrepancies with the experimental data for the T106C case are noted and discussed.

Efficiency of perfectly matched layers for seismic wave modeling in second-order viscoelastic equations

NASA Astrophysics Data System (ADS)

Ping, Ping; Zhang, Yu; Xu, Yixian; Chu, Risheng

2016-12-01

In order to improve the perfectly matched layer (PML) efficiency in viscoelastic media, we first propose a split multi-axial PML (M-PML) and an unsplit convolutional PML (C-PML) in the second-order viscoelastic wave equations with the displacement as the only unknown. The advantage of these formulations is that it is easy and efficient to revise the existing codes of the second-order spectral element method (SEM) or finite-element method (FEM) with absorbing boundaries in a uniform equation, as well as more economical than the auxiliary differential equations PML. Three models which are easily suffered from late time instabilities are considered to validate our approaches. Through comparison the M-PML with C-PML efficiency of absorption and stability for long time simulation, it can be concluded that: (1) for an isotropic viscoelastic medium with high Poisson's ratio, the C-PML will be a sufficient choice for long time simulation because of its weak reflections and superior stability; (2) unlike the M-PML with high-order damping profile, the M-PML with second-order damping profile loses its stability in long time simulation for an isotropic viscoelastic medium; (3) in an anisotropic viscoelastic medium, the C-PML suffers from instabilities, while the M-PML with second-order damping profile can be a better choice for its superior stability and more acceptable weak reflections than the M-PML with high-order damping profile. The comparative analysis of the developed methods offers meaningful significance for long time seismic wave modeling in second-order viscoelastic wave equations.

Collaborating CPU and GPU for large-scale high-order CFD simulations with complex grids on the TianHe-1A supercomputer

NASA Astrophysics Data System (ADS)

Xu, Chuanfu; Deng, Xiaogang; Zhang, Lilun; Fang, Jianbin; Wang, Guangxue; Jiang, Yi; Cao, Wei; Che, Yonggang; Wang, Yongxian; Wang, Zhenghua; Liu, Wei; Cheng, Xinghua

2014-12-01

Programming and optimizing complex, real-world CFD codes on current many-core accelerated HPC systems is very challenging, especially when collaborating CPUs and accelerators to fully tap the potential of heterogeneous systems. In this paper, with a tri-level hybrid and heterogeneous programming model using MPI + OpenMP + CUDA, we port and optimize our high-order multi-block structured CFD software HOSTA on the GPU-accelerated TianHe-1A supercomputer. HOSTA adopts two self-developed high-order compact definite difference schemes WCNS and HDCS that can simulate flows with complex geometries. We present a dual-level parallelization scheme for efficient multi-block computation on GPUs and perform particular kernel optimizations for high-order CFD schemes. The GPU-only approach achieves a speedup of about 1.3 when comparing one Tesla M2050 GPU with two Xeon X5670 CPUs. To achieve a greater speedup, we collaborate CPU and GPU for HOSTA instead of using a naive GPU-only approach. We present a novel scheme to balance the loads between the store-poor GPU and the store-rich CPU. Taking CPU and GPU load balance into account, we improve the maximum simulation problem size per TianHe-1A node for HOSTA by 2.3×, meanwhile the collaborative approach can improve the performance by around 45% compared to the GPU-only approach. Further, to scale HOSTA on TianHe-1A, we propose a gather/scatter optimization to minimize PCI-e data transfer times for ghost and singularity data of 3D grid blocks, and overlap the collaborative computation and communication as far as possible using some advanced CUDA and MPI features. Scalability tests show that HOSTA can achieve a parallel efficiency of above 60% on 1024 TianHe-1A nodes. With our method, we have successfully simulated an EET high-lift airfoil configuration containing 800M cells and China's large civil airplane configuration containing 150M cells. To our best knowledge, those are the largest-scale CPU-GPU collaborative simulations that solve realistic CFD problems with both complex configurations and high-order schemes.

Collaborating CPU and GPU for large-scale high-order CFD simulations with complex grids on the TianHe-1A supercomputer

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

Xu, Chuanfu, E-mail: xuchuanfu@nudt.edu.cn; Deng, Xiaogang; Zhang, Lilun

Programming and optimizing complex, real-world CFD codes on current many-core accelerated HPC systems is very challenging, especially when collaborating CPUs and accelerators to fully tap the potential of heterogeneous systems. In this paper, with a tri-level hybrid and heterogeneous programming model using MPI + OpenMP + CUDA, we port and optimize our high-order multi-block structured CFD software HOSTA on the GPU-accelerated TianHe-1A supercomputer. HOSTA adopts two self-developed high-order compact definite difference schemes WCNS and HDCS that can simulate flows with complex geometries. We present a dual-level parallelization scheme for efficient multi-block computation on GPUs and perform particular kernel optimizations formore » high-order CFD schemes. The GPU-only approach achieves a speedup of about 1.3 when comparing one Tesla M2050 GPU with two Xeon X5670 CPUs. To achieve a greater speedup, we collaborate CPU and GPU for HOSTA instead of using a naive GPU-only approach. We present a novel scheme to balance the loads between the store-poor GPU and the store-rich CPU. Taking CPU and GPU load balance into account, we improve the maximum simulation problem size per TianHe-1A node for HOSTA by 2.3×, meanwhile the collaborative approach can improve the performance by around 45% compared to the GPU-only approach. Further, to scale HOSTA on TianHe-1A, we propose a gather/scatter optimization to minimize PCI-e data transfer times for ghost and singularity data of 3D grid blocks, and overlap the collaborative computation and communication as far as possible using some advanced CUDA and MPI features. Scalability tests show that HOSTA can achieve a parallel efficiency of above 60% on 1024 TianHe-1A nodes. With our method, we have successfully simulated an EET high-lift airfoil configuration containing 800M cells and China's large civil airplane configuration containing 150M cells. To our best knowledge, those are the largest-scale CPU–GPU collaborative simulations that solve realistic CFD problems with both complex configurations and high-order schemes.« less

Simulation of Reacting Flow with a Discontinuous Spectral Element Method

NASA Astrophysics Data System (ADS)

Ghiasi, Zia; Mashayek, Farzad; Komperda, Jonathan

2013-11-01

While using high order methods is desirable in order to accurately capture the small scale mixing effects in reacting flows, the challenge is to develop and implement such methods for complex geometries. In this work, a high-order Discontinuous Spectral Element Method (DSEM) code, which solves for the Navier-Stokes equations, has been modified by adding the appropriate components to solve for scalar transport equations in order to simulate the chemical reaction. Dealing with discontinuous solution at element interfaces is a challenge that is met by patching the fluxes at mortars thus making them continuous on interfaces. The patching is performed using the Lax-Fredrichs numerical flux for scalars, whereas a generalized Riemann solver is used for the Navier-Stokes equations. Direct numerical simulation is conducted in a temporally developing mixing layer to validate the method for a single step reaction (F + rO --> [ 1 + r ] P). Next, the method is implemented to simulate a subsonic reacting flow in a slanted cavity combustor with gaseous fuel injectors to demonstrate the capability of the method to handle complex geometries. The results will be used for physical understanding of mixing and reaction in this type of combustors.

Political Simulations Using Excel

ERIC Educational Resources Information Center

Jackson, Steven F.

2013-01-01

Simulations have received considerable attention as a tool to promote problem-solving skills, intense involvement, and high-order thinking among students. Whether semester-long exercises or a single-class session, simulations are often used in areas of conflict studies, diplomatic studies, trade disputes, electoral processes, and policy and legal…

Comparison of High-Order and Low-Order Methods for Large-Eddy Simulation of a Compressible Shear Layer

NASA Technical Reports Server (NTRS)

Mankbadi, Mina R.; Georgiadis, Nicholas J.; DeBonis, James R.

2015-01-01

The objective of this work is to compare a high-order solver with a low-order solver for performing Large-Eddy Simulations (LES) of a compressible mixing layer. The high-order method is the Wave-Resolving LES (WRLES) solver employing a Dispersion Relation Preserving (DRP) scheme. The low-order solver is the Wind-US code, which employs the second-order Roe Physical scheme. Both solvers are used to perform LES of the turbulent mixing between two supersonic streams at a convective Mach number of 0.46. The high-order and low-order methods are evaluated at two different levels of grid resolution. For a fine grid resolution, the low-order method produces a very similar solution to the highorder method. At this fine resolution the effects of numerical scheme, subgrid scale modeling, and filtering were found to be negligible. Both methods predict turbulent stresses that are in reasonable agreement with experimental data. However, when the grid resolution is coarsened, the difference between the two solvers becomes apparent. The low-order method deviates from experimental results when the resolution is no longer adequate. The high-order DRP solution shows minimal grid dependence. The effects of subgrid scale modeling and spatial filtering were found to be negligible at both resolutions. For the high-order solver on the fine mesh, a parametric study of the spanwise width was conducted to determine its effect on solution accuracy. An insufficient spanwise width was found to impose an artificial spanwise mode and limit the resolved spanwise modes. We estimate that the spanwise depth needs to be 2.5 times larger than the largest coherent structures to capture the largest spanwise mode and accurately predict turbulent mixing.

Tensor-product preconditioners for higher-order space-time discontinuous Galerkin methods

NASA Astrophysics Data System (ADS)

Diosady, Laslo T.; Murman, Scott M.

2017-02-01

A space-time discontinuous-Galerkin spectral-element discretization is presented for direct numerical simulation of the compressible Navier-Stokes equations. An efficient solution technique based on a matrix-free Newton-Krylov method is developed in order to overcome the stiffness associated with high solution order. The use of tensor-product basis functions is key to maintaining efficiency at high-order. Efficient preconditioning methods are presented which can take advantage of the tensor-product formulation. A diagonalized Alternating-Direction-Implicit (ADI) scheme is extended to the space-time discontinuous Galerkin discretization. A new preconditioner for the compressible Euler/Navier-Stokes equations based on the fast-diagonalization method is also presented. Numerical results demonstrate the effectiveness of these preconditioners for the direct numerical simulation of subsonic turbulent flows.

Tensor-Product Preconditioners for Higher-Order Space-Time Discontinuous Galerkin Methods

NASA Technical Reports Server (NTRS)

Diosady, Laslo T.; Murman, Scott M.

2016-01-01

space-time discontinuous-Galerkin spectral-element discretization is presented for direct numerical simulation of the compressible Navier-Stokes equat ions. An efficient solution technique based on a matrix-free Newton-Krylov method is developed in order to overcome the stiffness associated with high solution order. The use of tensor-product basis functions is key to maintaining efficiency at high order. Efficient preconditioning methods are presented which can take advantage of the tensor-product formulation. A diagonalized Alternating-Direction-Implicit (ADI) scheme is extended to the space-time discontinuous Galerkin discretization. A new preconditioner for the compressible Euler/Navier-Stokes equations based on the fast-diagonalization method is also presented. Numerical results demonstrate the effectiveness of these preconditioners for the direct numerical simulation of subsonic turbulent flows.

Advances in the U.S. Navy Non-hydrostatic Unified Model of the Atmosphere (NUMA): LES as a Stabilization Methodology for High-Order Spectral Elements in the Simulation of Deep Convection

NASA Astrophysics Data System (ADS)

Marras, Simone; Giraldo, Frank

2015-04-01

The prediction of extreme weather sufficiently ahead of its occurrence impacts society as a whole and coastal communities specifically (e.g. Hurricane Sandy that impacted the eastern seaboard of the U.S. in the fall of 2012). With the final goal of solving hurricanes at very high resolution and numerical accuracy, we have been developing the Non-hydrostatic Unified Model of the Atmosphere (NUMA) to solve the Euler and Navier-Stokes equations by arbitrary high-order element-based Galerkin methods on massively parallel computers. NUMA is a unified model with respect to the following criteria: (a) it is based on unified numerics in that element-based Galerkin methods allow the user to choose between continuous (spectral elements, CG) or discontinuous Galerkin (DG) methods and from a large spectrum of time integrators, (b) it is unified across scales in that it can solve flow in limited-area mode (flow in a box) or in global mode (flow on the sphere). NUMA is the dynamical core that powers the U.S. Naval Research Laboratory's next-generation global weather prediction system NEPTUNE (Navy's Environmental Prediction sysTem Utilizing the NUMA corE). Because the solution of the Euler equations by high order methods is prone to instabilities that must be damped in some way, we approach the problem of stabilization via an adaptive Large Eddy Simulation (LES) scheme meant to treat such instabilities by modeling the sub-grid scale features of the flow. The novelty of our effort lies in the extension to high order spectral elements for low Mach number stratified flows of a method that was originally designed for low order, adaptive finite elements in the high Mach number regime [1]. The Euler equations are regularized by means of a dynamically adaptive stress tensor that is proportional to the residual of the unperturbed equations. Its effect is close to none where the solution is sufficiently smooth, whereas it increases elsewhere, with a direct contribution to the stabilization of the otherwise oscillatory solution. As a first step toward the Large Eddy Simulation of a hurricane, we verify the model via a high-order and high resolution idealized simulation of deep convection on the sphere. References [1] M. Nazarov and J. Hoffman (2013) Residual-based artificial viscosity for simulation of turbulent compressible flow using adaptive finite element methods Int. J. Numer. Methods Fluids, 71:339-357

Computation of three-dimensional three-phase flow of carbon dioxide using a high-order WENO scheme

NASA Astrophysics Data System (ADS)

Gjennestad, Magnus Aa.; Gruber, Andrea; Lervåg, Karl Yngve; Johansen, Øyvind; Ervik, Åsmund; Hammer, Morten; Munkejord, Svend Tollak

2017-11-01

We have developed a high-order numerical method for the 3D simulation of viscous and inviscid multiphase flow described by a homogeneous equilibrium model and a general equation of state. Here we focus on single-phase, two-phase (gas-liquid or gas-solid) and three-phase (gas-liquid-solid) flow of CO2 whose thermodynamic properties are calculated using the Span-Wagner reference equation of state. The governing equations are spatially discretized on a uniform Cartesian grid using the finite-volume method with a fifth-order weighted essentially non-oscillatory (WENO) scheme and the robust first-order centered (FORCE) flux. The solution is integrated in time using a third-order strong-stability-preserving Runge-Kutta method. We demonstrate close to fifth-order convergence for advection-diffusion and for smooth single- and two-phase flows. Quantitative agreement with experimental data is obtained for a direct numerical simulation of an air jet flowing from a rectangular nozzle. Quantitative agreement is also obtained for the shape and dimensions of the barrel shock in two highly underexpanded CO2 jets.

High-resolution modeling of indirectly driven high-convergence layered inertial confinement fusion capsule implosions

DOE PAGES

Haines, Brian M.; Aldrich, C. H.; Campbell, J. M.; ...

2017-04-24

In this study, we present the results of high-resolution simulations of the implosion of high-convergence layered indirect-drive inertial confinement fusion capsules of the type fielded on the National Ignition Facility using the xRAGE radiation-hydrodynamics code. In order to evaluate the suitability of xRAGE to model such experiments, we benchmark simulation results against available experimental data, including shock-timing, shock-velocity, and shell trajectory data, as well as hydrodynamic instability growth rates. We discuss the code improvements that were necessary in order to achieve favorable comparisons with these data. Due to its use of adaptive mesh refinement and Eulerian hydrodynamics, xRAGE is particularlymore » well suited for high-resolution study of multi-scale engineering features such as the capsule support tent and fill tube, which are known to impact the performance of high-convergence capsule implosions. High-resolution two-dimensional (2D) simulations including accurate and well-resolved models for the capsule fill tube, support tent, drive asymmetry, and capsule surface roughness are presented. These asymmetry seeds are isolated in order to study their relative importance and the resolution of the simulations enables the observation of details that have not been previously reported. We analyze simulation results to determine how the different asymmetries affect hotspot reactivity, confinement, and confinement time and how these combine to degrade yield. Yield degradation associated with the tent occurs largely through decreased reactivity due to the escape of hot fuel mass from the hotspot. Drive asymmetries and the fill tube, however, degrade yield primarily via burn truncation, as associated instability growth accelerates the disassembly of the hotspot. Finally, modeling all of these asymmetries together in 2D leads to improved agreement with experiment but falls short of explaining the experimentally observed yield degradation, consistent with previous 2D simulations of such capsules.« less

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

Novel Methods for Electromagnetic Simulation and Design

DTIC Science & Technology

2016-08-03

The resulting discretized integral equations are compatible with fast multipoleaccelerated solvers and will form the basis for high fidelity...expansion”) which are high-order, efficient and easy to use on arbitrarily triangulated surfaces. The resulting discretized integral equations are...created a user interface compatible with both low and high order discretizations , and implemented the generalized Debye approach of [4]. The

Triple Value Simulation Model Fact Sheet

EPA Pesticide Factsheets

The Triple Value Simulation (3VS) is a high-level model that accounts for the complex relationships among economic, social and environmental systems in order to explore scenarios and solutions to improve the health of the Bay.

How do rigid-lid assumption affect LES simulation results at high Reynolds flows?

NASA Astrophysics Data System (ADS)

Khosronejad, Ali; Farhadzadeh, Ali; SBU Collaboration

2017-11-01

This research is motivated by the work of Kara et al., JHE, 2015. They employed LES to model flow around a model of abutment at a Re number of 27,000. They showed that first-order turbulence characteristics obtained by rigid-lid (RL) assumption compares fairly well with those of level-set (LS) method. Concerning the second-order statistics, however, their simulation results showed a significant dependence on the method used to describe the free surface. This finding can have important implications for open channel flow modeling. The Reynolds number for typical open channel flows, however, could be much larger than that of Kara et al.'s test case. Herein, we replicate the reported study by augmenting the geometric and hydraulic scales to reach a Re number of one order of magnitude larger ( 200,000). The Virtual Flow Simulator (VFS-Geophysics) model in its LES mode is used to simulate the test case using both RL and LS methods. The computational results are validated using measured flow and free-surface data from our laboratory experiments. Our goal is to investigate the effects of RL assumption on both first-order and second order statistics at high Reynolds numbers that occur in natural waterways. Acknowledgment: Computational resources are provided by the Center of Excellence in Wireless & Information Technology (CEWIT) of Stony Brook University.

Fractional modeling of viscoelasticity in 3D cerebral arteries and aneurysms

NASA Astrophysics Data System (ADS)

Yu, Yue; Perdikaris, Paris; Karniadakis, George Em

2016-10-01

We develop efficient numerical methods for fractional order PDEs, and employ them to investigate viscoelastic constitutive laws for arterial wall mechanics. Recent simulations using one-dimensional models [1] have indicated that fractional order models may offer a more powerful alternative for modeling the arterial wall response, exhibiting reduced sensitivity to parametric uncertainties compared with the integer-calculus-based models. Here, we study three-dimensional (3D) fractional PDEs that naturally model the continuous relaxation properties of soft tissue, and for the first time employ them to simulate flow structure interactions for patient-specific brain aneurysms. To deal with the high memory requirements and in order to accelerate the numerical evaluation of hereditary integrals, we employ a fast convolution method [2] that reduces the memory cost to O (log ⁡ (N)) and the computational complexity to O (Nlog ⁡ (N)). Furthermore, we combine the fast convolution with high-order backward differentiation to achieve third-order time integration accuracy. We confirm that in 3D viscoelastic simulations, the integer order models strongly depends on the relaxation parameters, while the fractional order models are less sensitive. As an application to long-time simulations in complex geometries, we also apply the method to modeling fluid-structure interaction of a 3D patient-specific compliant cerebral artery with an aneurysm. Taken together, our findings demonstrate that fractional calculus can be employed effectively in modeling complex behavior of materials in realistic 3D time-dependent problems if properly designed efficient algorithms are employed to overcome the extra memory requirements and computational complexity associated with the non-local character of fractional derivatives.

Fractional modeling of viscoelasticity in 3D cerebral arteries and aneurysms

PubMed Central

Perdikaris, Paris; Karniadakis, George Em

2017-01-01

We develop efficient numerical methods for fractional order PDEs, and employ them to investigate viscoelastic constitutive laws for arterial wall mechanics. Recent simulations using one-dimensional models [1] have indicated that fractional order models may offer a more powerful alternative for modeling the arterial wall response, exhibiting reduced sensitivity to parametric uncertainties compared with the integer-calculus-based models. Here, we study three-dimensional (3D) fractional PDEs that naturally model the continuous relaxation properties of soft tissue, and for the first time employ them to simulate flow structure interactions for patient-specific brain aneurysms. To deal with the high memory requirements and in order to accelerate the numerical evaluation of hereditary integrals, we employ a fast convolution method [2] that reduces the memory cost to O(log(N)) and the computational complexity to O(N log(N)). Furthermore, we combine the fast convolution with high-order backward differentiation to achieve third-order time integration accuracy. We confirm that in 3D viscoelastic simulations, the integer order models strongly depends on the relaxation parameters, while the fractional order models are less sensitive. As an application to long-time simulations in complex geometries, we also apply the method to modeling fluid–structure interaction of a 3D patient-specific compliant cerebral artery with an aneurysm. Taken together, our findings demonstrate that fractional calculus can be employed effectively in modeling complex behavior of materials in realistic 3D time-dependent problems if properly designed efficient algorithms are employed to overcome the extra memory requirements and computational complexity associated with the non-local character of fractional derivatives. PMID:29104310

Computer simulation of multiple pilots flying a modern high performance helicopter

NASA Technical Reports Server (NTRS)

Zipf, Mark E.; Vogt, William G.; Mickle, Marlin H.; Hoelzeman, Ronald G.; Kai, Fei; Mihaloew, James R.

1988-01-01

A computer simulation of a human response pilot mechanism within the flight control loop of a high-performance modern helicopter is presented. A human response mechanism, implemented by a low order, linear transfer function, is used in a decoupled single variable configuration that exploits the dominant vehicle characteristics by associating cockpit controls and instrumentation with specific vehicle dynamics. Low order helicopter models obtained from evaluations of the time and frequency domain responses of a nonlinear simulation model, provided by NASA Lewis Research Center, are presented and considered in the discussion of the pilot development. Pilot responses and reactions to test maneuvers are presented and discussed. Higher level implementation, using the pilot mechanisms, are discussed and considered for their use in a comprehensive control structure.

Improving Fidelity of Launch Vehicle Liftoff Acoustic Simulations

NASA Technical Reports Server (NTRS)

Liever, Peter; West, Jeff

2016-01-01

Launch vehicles experience high acoustic loads during ignition and liftoff affected by the interaction of rocket plume generated acoustic waves with launch pad structures. Application of highly parallelized Computational Fluid Dynamics (CFD) analysis tools optimized for application on the NAS computer systems such as the Loci/CHEM program now enable simulation of time-accurate, turbulent, multi-species plume formation and interaction with launch pad geometry and capture the generation of acoustic noise at the source regions in the plume shear layers and impingement regions. These CFD solvers are robust in capturing the acoustic fluctuations, but they are too dissipative to accurately resolve the propagation of the acoustic waves throughout the launch environment domain along the vehicle. A hybrid Computational Fluid Dynamics and Computational Aero-Acoustics (CFD/CAA) modeling framework has been developed to improve such liftoff acoustic environment predictions. The framework combines the existing highly-scalable NASA production CFD code, Loci/CHEM, with a high-order accurate discontinuous Galerkin (DG) solver, Loci/THRUST, developed in the same computational framework. Loci/THRUST employs a low dissipation, high-order, unstructured DG method to accurately propagate acoustic waves away from the source regions across large distances. The DG solver is currently capable of solving up to 4th order solutions for non-linear, conservative acoustic field propagation. Higher order boundary conditions are implemented to accurately model the reflection and refraction of acoustic waves on launch pad components. The DG solver accepts generalized unstructured meshes, enabling efficient application of common mesh generation tools for CHEM and THRUST simulations. The DG solution is coupled with the CFD solution at interface boundaries placed near the CFD acoustic source regions. Both simulations are executed simultaneously with coordinated boundary condition data exchange.

Free vibration analysis of single-walled boron nitride nanotubes based on a computational mechanics framework

NASA Astrophysics Data System (ADS)

Yan, J. W.; Tong, L. H.; Xiang, Ping

2017-12-01

Free vibration behaviors of single-walled boron nitride nanotubes are investigated using a computational mechanics approach. Tersoff-Brenner potential is used to reflect atomic interaction between boron and nitrogen atoms. The higher-order Cauchy-Born rule is employed to establish the constitutive relationship for single-walled boron nitride nanotubes on the basis of higher-order gradient continuum theory. It bridges the gaps between the nanoscale lattice structures with a continuum body. A mesh-free modeling framework is constructed, using the moving Kriging interpolation which automatically satisfies the higher-order continuity, to implement numerical simulation in order to match the higher-order constitutive model. In comparison with conventional atomistic simulation methods, the established atomistic-continuum multi-scale approach possesses advantages in tackling atomic structures with high-accuracy and high-efficiency. Free vibration characteristics of single-walled boron nitride nanotubes with different boundary conditions, tube chiralities, lengths and radii are examined in case studies. In this research, it is pointed out that a critical radius exists for the evaluation of fundamental vibration frequencies of boron nitride nanotubes; opposite trends can be observed prior to and beyond the critical radius. Simulation results are presented and discussed.

Progress in the Development of a Class of Efficient Low Dissipative High Order Shock-capturing Methods

NASA Technical Reports Server (NTRS)

Yee, H. C.; Sjogreen, B.; Sandham, N. D.; Hadjadj, A.; Kwak, Dochan (Technical Monitor)

2000-01-01

In a series of papers, Olsson (1994, 1995), Olsson & Oliger (1994), Strand (1994), Gerritsen Olsson (1996), Yee et al. (1999a,b, 2000) and Sandham & Yee (2000), the issue of nonlinear stability of the compressible Euler and Navier-Stokes Equations, including physical boundaries, and the corresponding development of the discrete analogue of nonlinear stable high order schemes, including boundary schemes, were developed, extended and evaluated for various fluid flows. High order here refers to spatial schemes that are essentially fourth-order or higher away from shock and shear regions. The objective of this paper is to give an overview of the progress of the low dissipative high order shock-capturing schemes proposed by Yee et al. (1999a,b, 2000). This class of schemes consists of simple non-dissipative high order compact or non-compact central spatial differencings and adaptive nonlinear numerical dissipation operators to minimize the use of numerical dissipation. The amount of numerical dissipation is further minimized by applying the scheme to the entropy splitting form of the inviscid flux derivatives, and by rewriting the viscous terms to minimize odd-even decoupling before the application of the central scheme (Sandham & Yee). The efficiency and accuracy of these scheme are compared with spectral, TVD and fifth- order WENO schemes. A new approach of Sjogreen & Yee (2000) utilizing non-orthogonal multi-resolution wavelet basis functions as sensors to dynamically determine the appropriate amount of numerical dissipation to be added to the non-dissipative high order spatial scheme at each grid point will be discussed. Numerical experiments of long time integration of smooth flows, shock-turbulence interactions, direct numerical simulations of a 3-D compressible turbulent plane channel flow, and various mixing layer problems indicate that these schemes are especially suitable for practical complex problems in nonlinear aeroacoustics, rotorcraft dynamics, direct numerical simulation or large eddy simulation of compressible turbulent flows at various speeds including high-speed shock-turbulence interactions, and general long time wave propagation problems. These schemes, including entropy splitting, have also been extended to freestream preserving schemes on curvilinear moving grids for a thermally perfect gas (Vinokur & Yee 2000).

Robust and High Order Computational Method for Parachute and Air Delivery and MAV System

DTIC Science & Technology

2017-11-01

Report: Robust and High Order Computational Method for Parachute and Air Delivery and MAV System The views, opinions and/or findings contained in this...University Title: Robust and High Order Computational Method for Parachute and Air Delivery and MAV System Report Term: 0-Other Email: xiaolin.li...model coupled with an incompressible fluid solver through the impulse method . Our approach to simulating the parachute system is based on the front

High-order numerical simulations of pulsatile flow in a curved artery model

NASA Astrophysics Data System (ADS)

Cox, Christopher; Liang, Chunlei; Plesniak, Michael W.

2016-11-01

Cardiovascular flows are pulsatile, incompressible and occur in complex geometries with compliant walls. Together, these factors can produce an environment that can affect the progression of cardiovascular disease by altering wall shear stresses. Unstructured high-order CFD methods are well suited for capturing unsteady vortex-dominated viscous flows, and these methods provide high accuracy for similar cost as low-order methods. We use an in-house three-dimensional flux reconstruction Navier-Stokes solver to simulate secondary flows and vortical structures within a rigid 180-degree curved artery model under pulsatile flow of a Newtonian blood-analog fluid. Our simulations use a physiological flowrate waveform taken from the carotid artery. We are particularly interested in the dynamics during the deceleration phase of the waveform, where we observe the deformed-Dean, Dean, Lyne and Wall vortices. Our numerical results reveal the complex nature of these vortices both in space and time and their effect on overall wall shear stress. Numerical results agree with and complement experimental results obtained in our laboratory using particle image velocimetry. Supported by the GW Center for Biomimetics and Bioinspired Engineering.

An interior penalty stabilised incompressible discontinuous Galerkin-Fourier solver for implicit large eddy simulations

NASA Astrophysics Data System (ADS)

Ferrer, Esteban

2017-11-01

We present an implicit Large Eddy Simulation (iLES) h / p high order (≥2) unstructured Discontinuous Galerkin-Fourier solver with sliding meshes. The solver extends the laminar version of Ferrer and Willden, 2012 [34], to enable the simulation of turbulent flows at moderately high Reynolds numbers in the incompressible regime. This solver allows accurate flow solutions of the laminar and turbulent 3D incompressible Navier-Stokes equations on moving and static regions coupled through a high order sliding interface. The spatial discretisation is provided by the Symmetric Interior Penalty Discontinuous Galerkin (IP-DG) method in the x-y plane coupled with a purely spectral method that uses Fourier series and allows efficient computation of spanwise periodic three-dimensional flows. Since high order methods (e.g. discontinuous Galerkin and Fourier) are unable to provide enough numerical dissipation to enable under-resolved high Reynolds computations (i.e. as necessary in the iLES approach), we adapt the laminar version of the solver to increase (controllably) the dissipation and enhance the stability in under-resolved simulations. The novel stabilisation relies on increasing the penalty parameter included in the DG interior penalty (IP) formulation. The latter penalty term is included when discretising the linear viscous terms in the incompressible Navier-Stokes equations. These viscous penalty fluxes substitute the stabilising effect of non-linear fluxes, which has been the main trend in implicit LES discontinuous Galerkin approaches. The IP-DG penalty term provides energy dissipation, which is controlled by the numerical jumps at element interfaces (e.g. large in under-resolved regions) such as to stabilise under-resolved high Reynolds number flows. This dissipative term has minimal impact in well resolved regions and its implicit treatment does not restrict the use of large time steps, thus providing an efficient stabilization mechanism for iLES. The IP-DG stabilisation is complemented with a Spectral Vanishing Viscosity (SVV) method, in the z-direction, to enhance stability in the continuous Fourier space. The coupling between the numerical viscosity in the DG plane and the SVV damping, provides an efficient approach to stabilise high order methods at moderately high Reynolds numbers. We validate the formulation for three turbulent flow cases: a circular cylinder at Re = 3900, a static and pitch oscillating NACA 0012 airfoil at Re = 10000 and finally a rotating vertical-axis turbine at Re = 40000, with Reynolds based on the circular diameter, airfoil chord and turbine diameter, respectively. All our results compare favourably with published direct numerical simulations, large eddy simulations or experimental data. We conclude that the DG-Fourier high order solver, with IP-SVV stabilisation, proves to be a valuable tool to predict turbulent flows and associated statistics for both static and rotating machinery.

Technique for Very High Order Nonlinear Simulation and Validation

NASA Technical Reports Server (NTRS)

Dyson, Rodger W.

2001-01-01

Finding the sources of sound in large nonlinear fields via direct simulation currently requires excessive computational cost. This paper describes a simple technique for efficiently solving the multidimensional nonlinear Euler equations that significantly reduces this cost and demonstrates a useful approach for validating high order nonlinear methods. Up to 15th order accuracy in space and time methods were compared and it is shown that an algorithm with a fixed design accuracy approaches its maximal utility and then its usefulness exponentially decays unless higher accuracy is used. It is concluded that at least a 7th order method is required to efficiently propagate a harmonic wave using the nonlinear Euler equations to a distance of 5 wavelengths while maintaining an overall error tolerance that is low enough to capture both the mean flow and the acoustics.

The application of the mesh-free method in the numerical simulations of the higher-order continuum structures

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

Sun, Yuzhou, E-mail: yuzhousun@126.com; Chen, Gensheng; Li, Dongxia

2016-06-08

This paper attempts to study the application of mesh-free method in the numerical simulations of the higher-order continuum structures. A high-order bending beam considers the effect of the third-order derivative of deflections, and can be viewed as a one-dimensional higher-order continuum structure. The moving least-squares method is used to construct the shape function with the high-order continuum property, the curvature and the third-order derivative of deflections are directly interpolated with nodal variables and the second- and third-order derivative of the shape function, and the mesh-free computational scheme is establish for beams. The coupled stress theory is introduced to describe themore » special constitutive response of the layered rock mass in which the bending effect of thin layer is considered. The strain and the curvature are directly interpolated with the nodal variables, and the mesh-free method is established for the layered rock mass. The good computational efficiency is achieved based on the developed mesh-free method, and some key issues are discussed.« less

Efficient parallelization of analytic bond-order potentials for large-scale atomistic simulations

NASA Astrophysics Data System (ADS)

Teijeiro, C.; Hammerschmidt, T.; Drautz, R.; Sutmann, G.

2016-07-01

Analytic bond-order potentials (BOPs) provide a way to compute atomistic properties with controllable accuracy. For large-scale computations of heterogeneous compounds at the atomistic level, both the computational efficiency and memory demand of BOP implementations have to be optimized. Since the evaluation of BOPs is a local operation within a finite environment, the parallelization concepts known from short-range interacting particle simulations can be applied to improve the performance of these simulations. In this work, several efficient parallelization methods for BOPs that use three-dimensional domain decomposition schemes are described. The schemes are implemented into the bond-order potential code BOPfox, and their performance is measured in a series of benchmarks. Systems of up to several millions of atoms are simulated on a high performance computing system, and parallel scaling is demonstrated for up to thousands of processors.

Full Wave Analysis of RF Signal Attenuation in a Lossy Cave using a High Order Time Domain Vector Finite Element Method

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

Pingenot, J; Rieben, R; White, D

2004-12-06

We present a computational study of signal propagation and attenuation of a 200 MHz dipole antenna in a cave environment. The cave is modeled as a straight and lossy random rough wall. To simulate a broad frequency band, the full wave Maxwell equations are solved directly in the time domain via a high order vector finite element discretization using the massively parallel CEM code EMSolve. The simulation is performed for a series of random meshes in order to generate statistical data for the propagation and attenuation properties of the cave environment. Results for the power spectral density and phase ofmore » the electric field vector components are presented and discussed.« less

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

Kim, K.; Petersson, N. A.; Rodgers, A.

Acoustic waveform modeling is a computationally intensive task and full three-dimensional simulations are often impractical for some geophysical applications such as long-range wave propagation and high-frequency sound simulation. In this study, we develop a two-dimensional high-order accurate finite-difference code for acoustic wave modeling. We solve the linearized Euler equations by discretizing them with the sixth order accurate finite difference stencils away from the boundary and the third order summation-by-parts (SBP) closure near the boundary. Non-planar topographic boundary is resolved by formulating the governing equation in curvilinear coordinates following the interface. We verify the implementation of the algorithm by numerical examplesmore » and demonstrate the capability of the proposed method for practical acoustic wave propagation problems in the atmosphere.« less

Practical recipes for the model order reduction, dynamical simulation and compressive sampling of large-scale open quantum systems

NASA Astrophysics Data System (ADS)

Sidles, John A.; Garbini, Joseph L.; Harrell, Lee E.; Hero, Alfred O.; Jacky, Jonathan P.; Malcomb, Joseph R.; Norman, Anthony G.; Williamson, Austin M.

2009-06-01

Practical recipes are presented for simulating high-temperature and nonequilibrium quantum spin systems that are continuously measured and controlled. The notion of a spin system is broadly conceived, in order to encompass macroscopic test masses as the limiting case of large-j spins. The simulation technique has three stages: first the deliberate introduction of noise into the simulation, then the conversion of that noise into an equivalent continuous measurement and control process, and finally, projection of the trajectory onto state-space manifolds having reduced dimensionality and possessing a Kähler potential of multilinear algebraic form. These state-spaces can be regarded as ruled algebraic varieties upon which a projective quantum model order reduction (MOR) is performed. The Riemannian sectional curvature of ruled Kählerian varieties is analyzed, and proved to be non-positive upon all sections that contain a rule. These manifolds are shown to contain Slater determinants as a special case and their identity with Grassmannian varieties is demonstrated. The resulting simulation formalism is used to construct a positive P-representation for the thermal density matrix. Single-spin detection by magnetic resonance force microscopy (MRFM) is simulated, and the data statistics are shown to be those of a random telegraph signal with additive white noise. Larger-scale spin-dust models are simulated, having no spatial symmetry and no spatial ordering; the high-fidelity projection of numerically computed quantum trajectories onto low dimensionality Kähler state-space manifolds is demonstrated. The reconstruction of quantum trajectories from sparse random projections is demonstrated, the onset of Donoho-Stodden breakdown at the Candès-Tao sparsity limit is observed, a deterministic construction for sampling matrices is given and methods for quantum state optimization by Dantzig selection are given.

A high precision extrapolation method in multiphase-field model for simulating dendrite growth

NASA Astrophysics Data System (ADS)

Yang, Cong; Xu, Qingyan; Liu, Baicheng

2018-05-01

The phase-field method coupling with thermodynamic data has become a trend for predicting the microstructure formation in technical alloys. Nevertheless, the frequent access to thermodynamic database and calculation of local equilibrium conditions can be time intensive. The extrapolation methods, which are derived based on Taylor expansion, can provide approximation results with a high computational efficiency, and have been proven successful in applications. This paper presents a high precision second order extrapolation method for calculating the driving force in phase transformation. To obtain the phase compositions, different methods in solving the quasi-equilibrium condition are tested, and the M-slope approach is chosen for its best accuracy. The developed second order extrapolation method along with the M-slope approach and the first order extrapolation method are applied to simulate dendrite growth in a Ni-Al-Cr ternary alloy. The results of the extrapolation methods are compared with the exact solution with respect to the composition profile and dendrite tip position, which demonstrate the high precision and efficiency of the newly developed algorithm. To accelerate the phase-field and extrapolation computation, the graphic processing unit (GPU) based parallel computing scheme is developed. The application to large-scale simulation of multi-dendrite growth in an isothermal cross-section has demonstrated the ability of the developed GPU-accelerated second order extrapolation approach for multiphase-field model.

Validation of High-Fidelity CFD/CAA Framework for Launch Vehicle Acoustic Environment Simulation against Scale Model Test Data

NASA Technical Reports Server (NTRS)

Liever, Peter A.; West, Jeffrey S.

2016-01-01

A hybrid Computational Fluid Dynamics and Computational Aero-Acoustics (CFD/CAA) modeling framework has been developed for launch vehicle liftoff acoustic environment predictions. The framework couples the existing highly-scalable NASA production CFD code, Loci/CHEM, with a high-order accurate discontinuous Galerkin solver developed in the same production framework, Loci/THRUST, to accurately resolve and propagate acoustic physics across the entire launch environment. Time-accurate, Hybrid RANS/LES CFD modeling is applied for predicting the acoustic generation physics at the plume source, and a high-order accurate unstructured discontinuous Galerkin (DG) method is employed to propagate acoustic waves away from the source across large distances using high-order accurate schemes. The DG solver is capable of solving 2nd, 3rd, and 4th order Euler solutions for non-linear, conservative acoustic field propagation. Initial application testing and validation has been carried out against high resolution acoustic data from the Ares Scale Model Acoustic Test (ASMAT) series to evaluate the capabilities and production readiness of the CFD/CAA system to resolve the observed spectrum of acoustic frequency content. This paper presents results from this validation and outlines efforts to mature and improve the computational simulation framework.

Ultrahigh-order Maxwell solver with extreme scalability for electromagnetic PIC simulations of plasmas

NASA Astrophysics Data System (ADS)

Vincenti, Henri; Vay, Jean-Luc

2018-07-01

The advent of massively parallel supercomputers, with their distributed-memory technology using many processing units, has favored the development of highly-scalable local low-order solvers at the expense of harder-to-scale global very high-order spectral methods. Indeed, FFT-based methods, which were very popular on shared memory computers, have been largely replaced by finite-difference (FD) methods for the solution of many problems, including plasmas simulations with electromagnetic Particle-In-Cell methods. For some problems, such as the modeling of so-called "plasma mirrors" for the generation of high-energy particles and ultra-short radiations, we have shown that the inaccuracies of standard FD-based PIC methods prevent the modeling on present supercomputers at sufficient accuracy. We demonstrate here that a new method, based on the use of local FFTs, enables ultrahigh-order accuracy with unprecedented scalability, and thus for the first time the accurate modeling of plasma mirrors in 3D.

High-order continuum kinetic method for modeling plasma dynamics in phase space

DOE PAGES

Vogman, G. V.; Colella, P.; Shumlak, U.

2014-12-15

Continuum methods offer a high-fidelity means of simulating plasma kinetics. While computationally intensive, these methods are advantageous because they can be cast in conservation-law form, are not susceptible to noise, and can be implemented using high-order numerical methods. Advances in continuum method capabilities for modeling kinetic phenomena in plasmas require the development of validation tools in higher dimensional phase space and an ability to handle non-cartesian geometries. To that end, a new benchmark for validating Vlasov-Poisson simulations in 3D (x,v x,v y) is presented. The benchmark is based on the Dory-Guest-Harris instability and is successfully used to validate a continuummore » finite volume algorithm. To address challenges associated with non-cartesian geometries, unique features of cylindrical phase space coordinates are described. Preliminary results of continuum kinetic simulations in 4D (r,z,v r,v z) phase space are presented.« less

ADA and multi-microprocessor real-time simulation

NASA Technical Reports Server (NTRS)

Feyock, S.; Collins, W. R.

1983-01-01

The selection of a high-order programming language for a real-time distributed network simulation is described. The additional problem of implementing a language on a possibly changing network is addressed. The recently designed language ADA (trademarked by DoD) was chosen since it provides the best model of the underlying application to be simulated.

High precision NC lathe feeding system rigid-flexible coupling model reduction technology

NASA Astrophysics Data System (ADS)

Xuan, He; Hua, Qingsong; Cheng, Lianjun; Zhang, Hongxin; Zhao, Qinghai; Mao, Xinkai

2017-08-01

This paper proposes the use of dynamic substructure method of reduction of order to achieve effective reduction of feed system for high precision NC lathe feeding system rigid-flexible coupling model, namely the use of ADAMS to establish the rigid flexible coupling simulation model of high precision NC lathe, and then the vibration simulation of the period by using the FD 3D damper is very effective for feed system of bolt connection reduction of multi degree of freedom model. The vibration simulation calculation is more accurate, more quickly.

Dakota Uncertainty Quantification Methods Applied to the CFD code Nek5000

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

Delchini, Marc-Olivier; Popov, Emilian L.; Pointer, William David

This report presents the state of advancement of a Nuclear Energy Advanced Modeling and Simulation (NEAMS) project to characterize the uncertainty of the computational fluid dynamics (CFD) code Nek5000 using the Dakota package for flows encountered in the nuclear engineering industry. Nek5000 is a high-order spectral element CFD code developed at Argonne National Laboratory for high-resolution spectral-filtered large eddy simulations (LESs) and unsteady Reynolds-averaged Navier-Stokes (URANS) simulations.

Comparing Split and Unsplit Numerical Methods for Simulating Low and High Mach Number Turbulent Flows in Xrage

NASA Astrophysics Data System (ADS)

Saenz, Juan; Grinstein, Fernando; Dolence, Joshua; Rauenzahn, Rick; Masser, Thomas; Francois, Marianne; LANL Team

2017-11-01

We report progress in evaluating an unsplit hydrodynamic solver being implemented in the radiation adaptive grid Eulerian (xRAGE) code, and compare to a split scheme. xRage is a Eulerian hydrodynamics code used for implicit large eddy simulations (ILES) of multi-material, multi-physics flows where low and high Mach number (Ma) processes and instabilities interact and co-exist. The hydrodynamic solver in xRAGE uses a directionally split, second order Godunov, finite volume (FV) scheme. However, a standard, unsplit, Godunov-type FV scheme with 2nd and 3rd order reconstruction options, low Ma correction and a variety of Riemann solvers has recently become available. To evaluate the hydrodynamic solvers for turbulent low Ma flows, we use simulations of the Taylor Green Vortex (TGV), where there is a transition to turbulence via vortex stretching and production of small-scale eddies. We also simulate a high-low Ma shock-tube flow, where a shock passing over a perturbed surface generates a baroclinic Richtmyer-Meshkov instability (RMI); after the shock has passed, the turbulence in the accelerated interface region resembles Rayleigh Taylor (RT) instability. We compare turbulence spectra and decay in simulated TGV flows, and we present progress in simulating the high-low Ma RMI-RT flow. LANL is operated by LANS LLC for the U.S. DOE NNSA under Contract No. DE-AC52-06NA25396.

Reduced-Order Aerothermoelastic Analysis of Hypersonic Vehicle Structures

NASA Astrophysics Data System (ADS)

Falkiewicz, Nathan J.

Design and simulation of hypersonic vehicles require consideration of a variety of disciplines due to the highly coupled nature of the flight regime. In order to capture all of the potential effects on vehicle dynamics, one must consider the aerodynamics, aerodynamic heating, heat transfer, and structural dynamics as well as the interactions between these disciplines. The problem is further complicated by the large computational expense involved in capturing all of these effects and their interactions in a full-order sense. While high-fidelity modeling techniques exist for each of these disciplines, the use of such techniques is computationally infeasible in a vehicle design and control system simulation setting for such a highly coupled problem. Early in the design stage, many iterations of analyses may need to be carried out as the vehicle design matures, thus requiring quick analysis turnaround time. Additionally, the number of states used in the analyses must be small enough to allow for efficient control simulation and design. As a result, alternatives to full-order models must be considered. This dissertation presents a fully coupled, reduced-order aerothermoelastic framework for the modeling and analysis of hypersonic vehicle structures. The reduced-order transient thermal solution is a modal solution based on the proper orthogonal decomposition. The reduced-order structural dynamic model is based on projection of the equations of motion onto a Ritz modal subspace that is identified a priori. The reduced-order models are assembled into a time-domain aerothermoelastic simulation framework which uses a partitioned time-marching scheme to account for the disparate time scales of the associated physics. The aerothermoelastic modeling framework is outlined and the formulations associated with the unsteady aerodynamics, aerodynamic heating, transient thermal, and structural dynamics are outlined. Results demonstrate the accuracy of the reduced-order transient thermal and structural dynamic models under variation in boundary conditions and flight conditions. The framework is applied to representative hypersonic vehicle control surface structures and a variety of studies are conducted to assess the impact of aerothermoelastic effects on hypersonic vehicle dynamics. The results presented in this dissertation demonstrate the ability of the proposed framework to perform efficient aerothermoelastic analysis.

FE Simulation Models for Hot Stamping an Automobile Component with Tailor-Welded High-Strength Steels

NASA Astrophysics Data System (ADS)

Tang, Bingtao; Wang, Qiaoling; Wei, Zhaohui; Meng, Xianju; Yuan, Zhengjun

2016-05-01

Ultra-high-strength in sheet metal parts can be achieved with hot stamping process. To improve the crash performance and save vehicle weight, it is necessary to produce components with tailored properties. The use of tailor-welded high-strength steel is a relatively new hot stamping process for saving weight and obtaining desired local stiffness and crash performance. The simulation of hot stamping boron steel, especially tailor-welded blanks (TWBs) stamping, is more complex and challenging. Information about thermal/mechanical properties of tools and sheet materials, heat transfer, and friction between the deforming material and the tools is required in detail. In this study, the boron-manganese steel B1500HS and high-strength low-alloy steel B340LA are tailor welded and hot stamped. In order to precisely simulate the hot stamping process, modeling and simulation of hot stamping tailor-welded high-strength steels, including phase transformation modeling, thermal modeling, and thermal-mechanical modeling, is investigated. Meanwhile, the welding zone of tailor-welded blanks should be sufficiently accurate to describe thermal, mechanical, and metallurgical parameters. FE simulation model using TWBs with the thickness combination of 1.6 mm boron steel and 1.2 mm low-alloy steel is established. In order to evaluate the mechanical properties of the hot stamped automotive component (mini b-pillar), hardness and microstructure at each region are investigated. The comparisons between simulated results and experimental observations show the reliability of thermo-mechanical and metallurgical modeling strategies of TWBs hot stamping process.

Decentralized control experiments on the JPL flexible spacecraft

NASA Technical Reports Server (NTRS)

Ozguner, U.; Ossman, K.; Donne, J.; Boesch, M.; Ahmed, A.

1990-01-01

Decentralized control experiments were successfully demonstrated for the JPL/AFAL Flexible Structure. A simulation package using MATRIXx showed strong correlation between the simulations and experimental result, while providing a means for test and debug of the various control strategies. Implementation was simplified by a modular software design that was easily transported from the simulation environment to the experimental environment. Control designs worked well for suppression of the dominant modes of the structure. Static decentralized output feedback dampened the excited modes of the structure, but sometimes excited higher order modes upon startup of the controller. A second-order frequency shaping controller helped to eliminate excitation of the higher order modes by attenuating high frequencies in the control effort. However, it also resulted in slightly longer settling times.

Reduced-Order Models Based on POD-Tpwl for Compositional Subsurface Flow Simulation

NASA Astrophysics Data System (ADS)

Durlofsky, L. J.; He, J.; Jin, L. Z.

2014-12-01

A reduced-order modeling procedure applicable for compositional subsurface flow simulation will be described and applied. The technique combines trajectory piecewise linearization (TPWL) and proper orthogonal decomposition (POD) to provide highly efficient surrogate models. The method is based on a molar formulation (which uses pressure and overall component mole fractions as the primary variables) and is applicable for two-phase, multicomponent systems. The POD-TPWL procedure expresses new solutions in terms of linearizations around solution states generated and saved during previously simulated 'training' runs. High-dimensional states are projected into a low-dimensional subspace using POD. Thus, at each time step, only a low-dimensional linear system needs to be solved. Results will be presented for heterogeneous three-dimensional simulation models involving CO2 injection. Both enhanced oil recovery and carbon storage applications (with horizontal CO2 injectors) will be considered. Reasonably close agreement between full-order reference solutions and compositional POD-TPWL simulations will be demonstrated for 'test' runs in which the well controls differ from those used for training. Construction of the POD-TPWL model requires preprocessing overhead computations equivalent to about 3-4 full-order runs. Runtime speedups using POD-TPWL are, however, very significant - typically O(100-1000). The use of POD-TPWL for well control optimization will also be illustrated. For this application, some amount of retraining during the course of the optimization is required, which leads to smaller, but still significant, speedup factors.

Solution of the hydrodynamic device model using high-order non-oscillatory shock capturing algorithms. [for junction diodes simulation

NASA Technical Reports Server (NTRS)

Fatemi, Emad; Osher, Stanley; Jerome, Joseph

1991-01-01

A micron n+ - n - n+ silicon diode is simulated via the hydrodynamic model for carrier transport. The numerical algorithms employed are for the non-steady case, and a limiting process is used to reach steady state. The simulation employs shock capturing algorithms, and indeed shocks, or very rapid transition regimes, are observed in the transient case for the coupled system, consisting of the potential equation and the conservation equations describing charge, momentum, and energy transfer for the electron carriers. These algorithms, termed essentially nonoscillatory, were successfully applied in other contexts to model the flow in gas dynamics, magnetohydrodynamics, and other physical situations involving the conservation laws in fluid mechanics. The method here is first order in time, but the use of small time steps allows for good accuracy. Runge-Kutta methods allow one to achieve higher accuracy in time if desired. The spatial accuracy is of high order in regions of smoothness.

Polarization-Resolved Study of High Harmonics from Bulk Semiconductors

NASA Astrophysics Data System (ADS)

Kaneshima, Keisuke; Shinohara, Yasushi; Takeuchi, Kengo; Ishii, Nobuhisa; Imasaka, Kotaro; Kaji, Tomohiro; Ashihara, Satoshi; Ishikawa, Kenichi L.; Itatani, Jiro

2018-06-01

The polarization property of high harmonics from gallium selenide is investigated using linearly polarized midinfrared laser pulses. With a high electric field, the perpendicular polarization component of the odd harmonics emerges, which is not present with a low electric field and cannot be explained by the perturbative nonlinear optics. A two-dimensional single-band model is developed to show that the anisotropic curvature of an energy band of solids, which is pronounced in an outer part of the Brillouin zone, induces the generation of the perpendicular odd harmonics. This model is validated by three-dimensional quantum mechanical simulations, which reproduce the orientation dependence of the odd-order harmonics. The quantum mechanical simulations also reveal that the odd- and even-order harmonics are produced predominantly by the intraband current and interband polarization, respectively. These experimental and theoretical demonstrations clearly show a strong link between the band structure of a solid and the polarization property of the odd-order harmonics.

Modified current follower-based immittance function simulators

NASA Astrophysics Data System (ADS)

Alpaslan, Halil; Yuce, Erkan

2017-12-01

In this paper, four immittance function simulators consisting of a single modified current follower with single Z- terminal and a minimum number of passive components are proposed. The first proposed circuit can provide +L parallel with +R and the second proposed one can realise -L parallel with -R. The third proposed structure can provide +L series with +R and the fourth proposed one can realise -L series with -R. However, all the proposed immittance function simulators need a single resistive matching constraint. Parasitic impedance effects on all the proposed immittance function simulators are investigated. A second-order current-mode (CM) high-pass filter derived from the first proposed immittance function simulator is given as an application example. Also, a second-order CM low-pass filter derived from the third proposed immittance function simulator is given as an application example. A number of simulation results based on SPICE programme and an experimental test result are given to verify the theory.

Simulation and analysis of a geopotential research mission

NASA Technical Reports Server (NTRS)

Schutz, B. E.

1986-01-01

A computer simulation was performed for a Geopotential Research Mission (GRM) to enable study of the gravitational sensitivity of the range/rate measurement between two satellites and to provide a set of simulated measurements to assist in the evaluation of techniques developed for the determination of the gravity field. The simulation, identified as SGRM 8511, was conducted with two satellites in near circular, frozen orbits at 160 km altitude and separated by 300 km. High precision numerical integration of the polar orbits was used with a gravitational field complete to degree and order 180 coefficients and to degree 300 in orders 0 to 10. The set of simulated data for a mission duration of about 32 days was generated on a Cray X-MP computer. The characteristics of the simulation and the nature of the results are described.

Solar multi-conjugate adaptive optics based on high order ground layer adaptive optics and low order high altitude correction.

PubMed

Zhang, Lanqiang; Guo, Youming; Rao, Changhui

2017-02-20

Multi-conjugate adaptive optics (MCAO) is the most promising technique currently developed to enlarge the corrected field of view of adaptive optics for astronomy. In this paper, we propose a new configuration of solar MCAO based on high order ground layer adaptive optics and low order high altitude correction, which result in a homogeneous correction effect in the whole field of view. An individual high order multiple direction Shack-Hartmann wavefront sensor is employed in the configuration to detect the ground layer turbulence for low altitude correction. Furthermore, the other low order multiple direction Shack-Hartmann wavefront sensor supplies the wavefront information caused by high layers' turbulence through atmospheric tomography for high altitude correction. Simulation results based on the system design at the 1-meter New Vacuum Solar Telescope show that the correction uniform of the new scheme is obviously improved compared to conventional solar MCAO configuration.

Guidance Provided by Teacher and Simulation for Inquiry-Based Learning: A Case Study

ERIC Educational Resources Information Center

Lehtinen, Antti; Viiri, Jouni

2017-01-01

Current research indicates that inquiry-based learning should be guided in order to achieve optimal learning outcomes. The need for guidance is even greater when simulations are used because of their high information content and the difficulty of extracting information from them. Previous research on guidance for learning with simulations has…

Relation of Parallel Discrete Event Simulation algorithms with physical models

NASA Astrophysics Data System (ADS)

Shchur, L. N.; Shchur, L. V.

2015-09-01

We extend concept of local simulation times in parallel discrete event simulation (PDES) in order to take into account architecture of the current hardware and software in high-performance computing. We shortly review previous research on the mapping of PDES on physical problems, and emphasise how physical results may help to predict parallel algorithms behaviour.

Direct Quantum Mechanical Simulations of Shocked Energetic Materials

DTIC Science & Technology

2008-12-01

dynamics (QMD) simulations of shocked pentaerythritol tetranitrate (PETN), a conventional high explosive , and the polymeric cubic gauche phase of...nitrogen (cg-N), proposed as an environmentally acceptable energetic alternative to conventional explosive formulations. These simulations, made...stored structural potential energy can be liberated quickly enough, it is possible that explosion can occur with energies several orders of magnitude

LightForce Photon-Pressure Collision Avoidance: Updated Efficiency Analysis Utilizing a Highly Parallel Simulation Approach

DTIC Science & Technology

2014-09-01

simulation time frame from 30 days to one year. This was enabled by porting the simulation to the Pleiades supercomputer at NASA Ames Research Center, a...including the motivation for changes to our past approach. We then present the software implementation (3) on the NASA Ames Pleiades supercomputer...significantly updated since last year’s paper [25]. The main incentive for that was the shift to a highly parallel approach in order to utilize the Pleiades

Numerical Simulation of HIWC Conditions with the Terminal Area Simulation System

NASA Technical Reports Server (NTRS)

Proctor, Fred H.; Switzer, George F.

2016-01-01

Three-dimensional, numerical simulation of a mesoconvective system is conducted in order to better understand conditions associated with High Ice Water Content (HIWC) and its threat to aviation safety. Although peak local values of ice water content may occur early in the storm lifetime, large areas of high concentrations expand with time and persist even when the storm tops begin to warm. The storm canopy which contains HIWC, has low radar reflectivity factor and is fed by an ensemble of regenerating thermal pulses.

Direct numerical simulation of transition and turbulence in a spatially evolving boundary layer

NASA Technical Reports Server (NTRS)

Rai, Man M.; Moin, Parviz

1991-01-01

A high-order-accurate finite-difference approach to direct simulations of transition and turbulence in compressible flows is described. Attention is given to the high-free-stream disturbance case in which transition to turbulence occurs close to the leading edge. In effect, computation requirements are reduced. A method for numerically generating free-stream disturbances is presented.

High-performance modeling of plasma-based acceleration and laser-plasma interactions

NASA Astrophysics Data System (ADS)

Vay, Jean-Luc; Blaclard, Guillaume; Godfrey, Brendan; Kirchen, Manuel; Lee, Patrick; Lehe, Remi; Lobet, Mathieu; Vincenti, Henri

2016-10-01

Large-scale numerical simulations are essential to the design of plasma-based accelerators and laser-plasma interations for ultra-high intensity (UHI) physics. The electromagnetic Particle-In-Cell (PIC) approach is the method of choice for self-consistent simulations, as it is based on first principles, and captures all kinetic effects, and also scale favorably to many cores on supercomputers. The standard PIC algorithm relies on second-order finite-difference discretization of the Maxwell and Newton-Lorentz equations. We present here novel formulations, based on very high-order pseudo-spectral Maxwell solvers, which enable near-total elimination of the numerical Cherenkov instability and increased accuracy over the standard PIC method for standard laboratory frame and Lorentz boosted frame simulations. We also present the latest implementations in the PIC modules Warp-PICSAR and FBPIC on the Intel Xeon Phi and GPU architectures. Examples of applications will be given on the simulation of laser-plasma accelerators and high-harmonic generation with plasma mirrors. Work supported by US-DOE Contracts DE-AC02-05CH11231 and by the European Commission through the Marie Slowdoska-Curie fellowship PICSSAR Grant Number 624543. Used resources of NERSC.

BeamDyn: a high-fidelity wind turbine blade solver in the FAST modular framework

DOE PAGES

Wang, Qi; Sprague, Michael A.; Jonkman, Jason; ...

2017-03-14

Here, this paper presents a numerical implementation of the geometrically exact beam theory based on the Legendre-spectral-finite-element (LSFE) method. The displacement-based geometrically exact beam theory is presented, and the special treatment of three-dimensional rotation parameters is reviewed. An LSFE is a high-order finite element with nodes located at the Gauss-Legendre-Lobatto points. These elements can be an order of magnitude more computationally efficient than low-order finite elements for a given accuracy level. The new module, BeamDyn, is implemented in the FAST modularization framework for dynamic simulation of highly flexible composite-material wind turbine blades within the FAST aeroelastic engineering model. The frameworkmore » allows for fully interactive simulations of turbine blades in operating conditions. Numerical examples are provided to validate BeamDyn and examine the LSFE performance as well as the coupling algorithm in the FAST modularization framework. BeamDyn can also be used as a stand-alone high-fidelity beam tool.« less

BeamDyn: a high-fidelity wind turbine blade solver in the FAST modular framework

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

Wang, Qi; Sprague, Michael A.; Jonkman, Jason

Here, this paper presents a numerical implementation of the geometrically exact beam theory based on the Legendre-spectral-finite-element (LSFE) method. The displacement-based geometrically exact beam theory is presented, and the special treatment of three-dimensional rotation parameters is reviewed. An LSFE is a high-order finite element with nodes located at the Gauss-Legendre-Lobatto points. These elements can be an order of magnitude more computationally efficient than low-order finite elements for a given accuracy level. The new module, BeamDyn, is implemented in the FAST modularization framework for dynamic simulation of highly flexible composite-material wind turbine blades within the FAST aeroelastic engineering model. The frameworkmore » allows for fully interactive simulations of turbine blades in operating conditions. Numerical examples are provided to validate BeamDyn and examine the LSFE performance as well as the coupling algorithm in the FAST modularization framework. BeamDyn can also be used as a stand-alone high-fidelity beam tool.« less

A higher-order conservation element solution element method for solving hyperbolic differential equations on unstructured meshes

NASA Astrophysics Data System (ADS)

Bilyeu, David

This dissertation presents an extension of the Conservation Element Solution Element (CESE) method from second- to higher-order accuracy. The new method retains the favorable characteristics of the original second-order CESE scheme, including (i) the use of the space-time integral equation for conservation laws, (ii) a compact mesh stencil, (iii) the scheme will remain stable up to a CFL number of unity, (iv) a fully explicit, time-marching integration scheme, (v) true multidimensionality without using directional splitting, and (vi) the ability to handle two- and three-dimensional geometries by using unstructured meshes. This algorithm has been thoroughly tested in one, two and three spatial dimensions and has been shown to obtain the desired order of accuracy for solving both linear and non-linear hyperbolic partial differential equations. The scheme has also shown its ability to accurately resolve discontinuities in the solutions. Higher order unstructured methods such as the Discontinuous Galerkin (DG) method and the Spectral Volume (SV) methods have been developed for one-, two- and three-dimensional application. Although these schemes have seen extensive development and use, certain drawbacks of these methods have been well documented. For example, the explicit versions of these two methods have very stringent stability criteria. This stability criteria requires that the time step be reduced as the order of the solver increases, for a given simulation on a given mesh. The research presented in this dissertation builds upon the work of Chang, who developed a fourth-order CESE scheme to solve a scalar one-dimensional hyperbolic partial differential equation. The completed research has resulted in two key deliverables. The first is a detailed derivation of a high-order CESE methods on unstructured meshes for solving the conservation laws in two- and three-dimensional spaces. The second is the code implementation of these numerical methods in a computer code. For code development, a one-dimensional solver for the Euler equations was developed. This work is an extension of Chang's work on the fourth-order CESE method for solving a one-dimensional scalar convection equation. A generic formulation for the nth-order CESE method, where n ≥ 4, was derived. Indeed, numerical implementation of the scheme confirmed that the order of convergence was consistent with the order of the scheme. For the two- and three-dimensional solvers, SOLVCON was used as the basic framework for code implementation. A new solver kernel for the fourth-order CESE method has been developed and integrated into the framework provided by SOLVCON. The main part of SOLVCON, which deals with unstructured meshes and parallel computing, remains intact. The SOLVCON code for data transmission between computer nodes for High Performance Computing (HPC). To validate and verify the newly developed high-order CESE algorithms, several one-, two- and three-dimensional simulations where conducted. For the arbitrary order, one-dimensional, CESE solver, three sets of governing equations were selected for simulation: (i) the linear convection equation, (ii) the linear acoustic equations, (iii) the nonlinear Euler equations. All three systems of equations were used to verify the order of convergence through mesh refinement. In addition the Euler equations were used to solve the Shu-Osher and Blastwave problems. These two simulations demonstrated that the new high-order CESE methods can accurately resolve discontinuities in the flow field.For the two-dimensional, fourth-order CESE solver, the Euler equation was employed in four different test cases. The first case was used to verify the order of convergence through mesh refinement. The next three cases demonstrated the ability of the new solver to accurately resolve discontinuities in the flows. This was demonstrated through: (i) the interaction between acoustic waves and an entropy pulse, (ii) supersonic flow over a circular blunt body, (iii) supersonic flow over a guttered wedge. To validate and verify the three-dimensional, fourth-order CESE solver, two different simulations where selected. The first used the linear convection equations to demonstrate fourth-order convergence. The second used the Euler equations to simulate supersonic flow over a spherical body to demonstrate the scheme's ability to accurately resolve shocks. All test cases used are well known benchmark problems and as such, there are multiple sources available to validate the numerical results. Furthermore, the simulations showed that the high-order CESE solver was stable at a CFL number near unity.

Numerical analysis of a high-order unstructured overset grid method for compressible LES of turbomachinery

NASA Astrophysics Data System (ADS)

de Laborderie, J.; Duchaine, F.; Gicquel, L.; Vermorel, O.; Wang, G.; Moreau, S.

2018-06-01

Large-Eddy Simulation (LES) is recognized as a promising method for high-fidelity flow predictions in turbomachinery applications. The presented approach consists of the coupling of several instances of the same LES unstructured solver through an overset grid method. A high-order interpolation, implemented within this coupling method, is introduced and evaluated on several test cases. It is shown to be third order accurate, to preserve the accuracy of various second and third order convective schemes and to ensure the continuity of diffusive fluxes and subgrid scale tensors even in detrimental interface configurations. In this analysis, three types of spurious waves generated at the interface are identified. They are significantly reduced by the high-order interpolation at the interface. The latter having the same cost as the original lower order method, the high-order overset grid method appears as a promising alternative to be used in all the applications.

Simulation of High-Resolution Magnetic Resonance Images on the IBM Blue Gene/L Supercomputer Using SIMRI

DOE PAGES

Baum, K. G.; Menezes, G.; Helguera, M.

2011-01-01

Medical imaging system simulators are tools that provide a means to evaluate system architecture and create artificial image sets that are appropriate for specific applications. We have modified SIMRI, a Bloch equation-based magnetic resonance image simulator, in order to successfully generate high-resolution 3D MR images of the Montreal brain phantom using Blue Gene/L systems. Results show that redistribution of the workload allows an anatomically accurate 256 3 voxel spin-echo simulation in less than 5 hours when executed on an 8192-node partition of a Blue Gene/L system.

Simulation of High-Resolution Magnetic Resonance Images on the IBM Blue Gene/L Supercomputer Using SIMRI.

PubMed

Baum, K G; Menezes, G; Helguera, M

2011-01-01

Medical imaging system simulators are tools that provide a means to evaluate system architecture and create artificial image sets that are appropriate for specific applications. We have modified SIMRI, a Bloch equation-based magnetic resonance image simulator, in order to successfully generate high-resolution 3D MR images of the Montreal brain phantom using Blue Gene/L systems. Results show that redistribution of the workload allows an anatomically accurate 256(3) voxel spin-echo simulation in less than 5 hours when executed on an 8192-node partition of a Blue Gene/L system.

Influence of model order reduction methods on dynamical-optical simulations

NASA Astrophysics Data System (ADS)

Störkle, Johannes; Eberhard, Peter

2017-04-01

In this work, the influence of model order reduction (MOR) methods on optical aberrations is analyzed within a dynamical-optical simulation of a high precision optomechanical system. Therefore, an integrated modeling process and new methods have to be introduced for the computation and investigation of the overall dynamical-optical behavior. For instance, this optical system can be a telescope optic or a lithographic objective. In order to derive a simplified mechanical model for transient time simulations with low computational cost, the method of elastic multibody systems in combination with MOR methods can be used. For this, software tools and interfaces are defined and created. Furthermore, mechanical and optical simulation models are derived and implemented. With these, on the one hand, the mechanical sensitivity can be investigated for arbitrary external excitations and on the other hand, the related optical behavior can be predicted. In order to clarify these methods, academic examples are chosen and the influences of the MOR methods and simulation strategies are analyzed. Finally, the systems are investigated with respect to the mechanical-optical frequency responses, and in conclusion, some recommendations for the application of reduction methods are given.

The effects of model composition design choices on high-fidelity simulations of motoneuron recruitment and firing behaviors

NASA Astrophysics Data System (ADS)

Allen, John M.; Elbasiouny, Sherif M.

2018-06-01

Objective. Computational models often require tradeoffs, such as balancing detail with efficiency; yet optimal balance should incorporate sound design features that do not bias the results of the specific scientific question under investigation. The present study examines how model design choices impact simulation results. Approach. We developed a rigorously-validated high-fidelity computational model of the spinal motoneuron pool to study three long-standing model design practices which have yet to be examined for their impact on motoneuron recruitment, firing rate, and force simulations. The practices examined were the use of: (1) generic cell models to simulate different motoneuron types, (2) discrete property ranges for different motoneuron types, and (3) biological homogeneity of cell properties within motoneuron types. Main results. Our results show that each of these practices accentuates conditions of motoneuron recruitment based on the size principle, and minimizes conditions of mixed and reversed recruitment orders, which have been observed in animal and human recordings. Specifically, strict motoneuron orderly size recruitment occurs, but in a compressed range, after which mixed and reverse motoneuron recruitment occurs due to the overlap in electrical properties of different motoneuron types. Additionally, these practices underestimate the motoneuron firing rates and force data simulated by existing models. Significance. Our results indicate that current modeling practices increase conditions of motoneuron recruitment based on the size principle, and decrease conditions of mixed and reversed recruitment order, which, in turn, impacts the predictions made by existing models on motoneuron recruitment, firing rate, and force. Additionally, mixed and reverse motoneuron recruitment generated higher muscle force than orderly size motoneuron recruitment in these simulations and represents one potential scheme to increase muscle efficiency. The examined model design practices, as well as the present results, are applicable to neuronal modeling throughout the nervous system.

The effects of model composition design choices on high-fidelity simulations of motoneuron recruitment and firing behaviors.

PubMed

Allen, John M; Elbasiouny, Sherif M

2018-06-01

Computational models often require tradeoffs, such as balancing detail with efficiency; yet optimal balance should incorporate sound design features that do not bias the results of the specific scientific question under investigation. The present study examines how model design choices impact simulation results. We developed a rigorously-validated high-fidelity computational model of the spinal motoneuron pool to study three long-standing model design practices which have yet to be examined for their impact on motoneuron recruitment, firing rate, and force simulations. The practices examined were the use of: (1) generic cell models to simulate different motoneuron types, (2) discrete property ranges for different motoneuron types, and (3) biological homogeneity of cell properties within motoneuron types. Our results show that each of these practices accentuates conditions of motoneuron recruitment based on the size principle, and minimizes conditions of mixed and reversed recruitment orders, which have been observed in animal and human recordings. Specifically, strict motoneuron orderly size recruitment occurs, but in a compressed range, after which mixed and reverse motoneuron recruitment occurs due to the overlap in electrical properties of different motoneuron types. Additionally, these practices underestimate the motoneuron firing rates and force data simulated by existing models. Our results indicate that current modeling practices increase conditions of motoneuron recruitment based on the size principle, and decrease conditions of mixed and reversed recruitment order, which, in turn, impacts the predictions made by existing models on motoneuron recruitment, firing rate, and force. Additionally, mixed and reverse motoneuron recruitment generated higher muscle force than orderly size motoneuron recruitment in these simulations and represents one potential scheme to increase muscle efficiency. The examined model design practices, as well as the present results, are applicable to neuronal modeling throughout the nervous system.

Extraction of diffuse correlation spectroscopy flow index by integration of Nth-order linear model with Monte Carlo simulation

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

Shang, Yu; Lin, Yu; Yu, Guoqiang, E-mail: guoqiang.yu@uky.edu

2014-05-12

Conventional semi-infinite solution for extracting blood flow index (BFI) from diffuse correlation spectroscopy (DCS) measurements may cause errors in estimation of BFI (αD{sub B}) in tissues with small volume and large curvature. We proposed an algorithm integrating Nth-order linear model of autocorrelation function with the Monte Carlo simulation of photon migrations in tissue for the extraction of αD{sub B}. The volume and geometry of the measured tissue were incorporated in the Monte Carlo simulation, which overcome the semi-infinite restrictions. The algorithm was tested using computer simulations on four tissue models with varied volumes/geometries and applied on an in vivo strokemore » model of mouse. Computer simulations shows that the high-order (N ≥ 5) linear algorithm was more accurate in extracting αD{sub B} (errors < ±2%) from the noise-free DCS data than the semi-infinite solution (errors: −5.3% to −18.0%) for different tissue models. Although adding random noises to DCS data resulted in αD{sub B} variations, the mean values of errors in extracting αD{sub B} were similar to those reconstructed from the noise-free DCS data. In addition, the errors in extracting the relative changes of αD{sub B} using both linear algorithm and semi-infinite solution were fairly small (errors < ±2.0%) and did not rely on the tissue volume/geometry. The experimental results from the in vivo stroke mice agreed with those in simulations, demonstrating the robustness of the linear algorithm. DCS with the high-order linear algorithm shows the potential for the inter-subject comparison and longitudinal monitoring of absolute BFI in a variety of tissues/organs with different volumes/geometries.« less

High surface plasmon resonance sensitivity enabled by optical disks.

PubMed

Dou, Xuan; Phillips, Blayne M; Chung, Pei-Yu; Jiang, Peng

2012-09-01

We report a systematic, experimental, and theoretical investigation on the surface plasmon resonance (SPR) sensing using optical disks with different track pitches, including Blu-ray disk (BD), digital versatile disk (DVD), and compact disk (CD). Optical reflection measurements indicate that CD and DVD exhibit much higher SPR sensitivity than BD. Both experiments and finite-difference time-domain simulations reveal that the SPR sensitivity is significantly affected by the diffraction order of the SPR peaks and higher diffraction order results in lower sensitivity. Numerical simulations also show that very high sensitivity (∼1600  nm per refractive index unit) is achievable by CDs.

Solving Nonlinear Euler Equations with Arbitrary Accuracy

NASA Technical Reports Server (NTRS)

Dyson, Rodger W.

2005-01-01

A computer program that efficiently solves the time-dependent, nonlinear Euler equations in two dimensions to an arbitrarily high order of accuracy has been developed. The program implements a modified form of a prior arbitrary- accuracy simulation algorithm that is a member of the class of algorithms known in the art as modified expansion solution approximation (MESA) schemes. Whereas millions of lines of code were needed to implement the prior MESA algorithm, it is possible to implement the present MESA algorithm by use of one or a few pages of Fortran code, the exact amount depending on the specific application. The ability to solve the Euler equations to arbitrarily high accuracy is especially beneficial in simulations of aeroacoustic effects in settings in which fully nonlinear behavior is expected - for example, at stagnation points of fan blades, where linearizing assumptions break down. At these locations, it is necessary to solve the full nonlinear Euler equations, and inasmuch as the acoustical energy is of the order of 4 to 5 orders of magnitude below that of the mean flow, it is necessary to achieve an overall fractional error of less than 10-6 in order to faithfully simulate entropy, vortical, and acoustical waves.

Controls/CFD Interdisciplinary Research Software Generates Low-Order Linear Models for Control Design From Steady-State CFD Results

NASA Technical Reports Server (NTRS)

Melcher, Kevin J.

1997-01-01

The NASA Lewis Research Center is developing analytical methods and software tools to create a bridge between the controls and computational fluid dynamics (CFD) disciplines. Traditionally, control design engineers have used coarse nonlinear simulations to generate information for the design of new propulsion system controls. However, such traditional methods are not adequate for modeling the propulsion systems of complex, high-speed vehicles like the High Speed Civil Transport. To properly model the relevant flow physics of high-speed propulsion systems, one must use simulations based on CFD methods. Such CFD simulations have become useful tools for engineers that are designing propulsion system components. The analysis techniques and software being developed as part of this effort are an attempt to evolve CFD into a useful tool for control design as well. One major aspect of this research is the generation of linear models from steady-state CFD results. CFD simulations, often used during the design of high-speed inlets, yield high resolution operating point data. Under a NASA grant, the University of Akron has developed analytical techniques and software tools that use these data to generate linear models for control design. The resulting linear models have the same number of states as the original CFD simulation, so they are still very large and computationally cumbersome. Model reduction techniques have been successfully applied to reduce these large linear models by several orders of magnitude without significantly changing the dynamic response. The result is an accurate, easy to use, low-order linear model that takes less time to generate than those generated by traditional means. The development of methods for generating low-order linear models from steady-state CFD is most complete at the one-dimensional level, where software is available to generate models with different kinds of input and output variables. One-dimensional methods have been extended somewhat so that linear models can also be generated from two- and three-dimensional steady-state results. Standard techniques are adequate for reducing the order of one-dimensional CFD-based linear models. However, reduction of linear models based on two- and three-dimensional CFD results is complicated by very sparse, ill-conditioned matrices. Some novel approaches are being investigated to solve this problem.

Ultrafast High Accuracy PCRTM_SOLAR Model for Cloudy Atmosphere

NASA Technical Reports Server (NTRS)

Yang, Qiguang; Liu, Xu; Wu, Wan; Yang, Ping; Wang, Chenxi

2015-01-01

An ultrafast high accuracy PCRTM_SOLAR model is developed based on PCA compression and principal component-based radiative transfer model (PCRTM). A fast algorithm for simulation of multi-scattering properties of cloud and/or aerosols is integrated into the fast infrared PCRTM. We completed radiance simulation and training for instruments, such as IASI, AIRS, CrIS, NASTI and SHIS, under diverse conditions. The new model is 5 orders faster than 52-stream DISORT with very high accuracy for cloudy sky radiative transfer simulation. It is suitable for hyperspectral remote data assimilation and cloudy sky retrievals.

Simulation of High-Beta Plasma Confinement

NASA Astrophysics Data System (ADS)

Font, Gabriel; Welch, Dale; Mitchell, Robert; McGuire, Thomas

2017-10-01

The Lockheed Martin Compact Fusion Reactor concept utilizes magnetic cusps to confine the plasma. In order to minimize losses through the axial and ring cusps, the plasma is pushed to a high-beta state. Simulations were made of the plasma and magnetic field system in an effort to quantify particle confinement times and plasma behavior characteristics. Computations are carried out with LSP using implicit PIC methods. Simulations of different sub-scale geometries at high-Beta fusion conditions are used to determine particle loss scaling with reactor size, plasma conditions, and gyro radii. ©2017 Lockheed Martin Corporation. All Rights Reserved.

Design-order, non-conformal low-Mach fluid algorithms using a hybrid CVFEM/DG approach

NASA Astrophysics Data System (ADS)

Domino, Stefan P.

2018-04-01

A hybrid, design-order sliding mesh algorithm, which uses a control volume finite element method (CVFEM), in conjunction with a discontinuous Galerkin (DG) approach at non-conformal interfaces, is outlined in the context of a low-Mach fluid dynamics equation set. This novel hybrid DG approach is also demonstrated to be compatible with a classic edge-based vertex centered (EBVC) scheme. For the CVFEM, element polynomial, P, promotion is used to extend the low-order P = 1 CVFEM method to higher-order, i.e., P = 2. An equal-order low-Mach pressure-stabilized methodology, with emphasis on the non-conformal interface boundary condition, is presented. A fully implicit matrix solver approach that accounts for the full stencil connectivity across the non-conformal interface is employed. A complete suite of formal verification studies using the method of manufactured solutions (MMS) is performed to verify the order of accuracy of the underlying methodology. The chosen suite of analytical verification cases range from a simple steady diffusion system to a traveling viscous vortex across mixed-order non-conformal interfaces. Results from all verification studies demonstrate either second- or third-order spatial accuracy and, for transient solutions, second-order temporal accuracy. Significant accuracy gains in manufactured solution error norms are noted even with modest promotion of the underlying polynomial order. The paper also demonstrates the CVFEM/DG methodology on two production-like simulation cases that include an inner block subjected to solid rotation, i.e., each of the simulations include a sliding mesh, non-conformal interface. The first production case presented is a turbulent flow past a high-rate-of-rotation cube (Re, 4000; RPM, 3600) on like and mixed-order polynomial interfaces. The final simulation case is a full-scale Vestas V27 225 kW wind turbine (tower and nacelle omitted) in which a hybrid topology, low-order mesh is used. Both production simulations provide confidence in the underlying capability and demonstrate the viability of this hybrid method for deployment towards high-fidelity wind energy validation and analysis.

Validation of High-Fidelity CFD/CAA Framework for Launch Vehicle Acoustic Environment Simulation against Scale Model Test Data

NASA Technical Reports Server (NTRS)

Liever, Peter A.; West, Jeffrey S.; Harris, Robert E.

2016-01-01

A hybrid Computational Fluid Dynamics and Computational Aero-Acoustics (CFD/CAA) modeling framework has been developed for launch vehicle liftoff acoustic environment predictions. The framework couples the existing highly-scalable NASA production CFD code, Loci/CHEM, with a high-order accurate Discontinuous Galerkin solver developed in the same production framework, Loci/THRUST, to accurately resolve and propagate acoustic physics across the entire launch environment. Time-accurate, Hybrid RANS/LES CFD modeling is applied for predicting the acoustic generation physics at the plume source, and a high-order accurate unstructured mesh Discontinuous Galerkin (DG) method is employed to propagate acoustic waves away from the source across large distances using high-order accurate schemes. The DG solver is capable of solving 2nd, 3rd, and 4th order Euler solutions for non-linear, conservative acoustic field propagation. Initial application testing and validation has been carried out against high resolution acoustic data from the Ares Scale Model Acoustic Test (ASMAT) series to evaluate the capabilities and production readiness of the CFD/CAA system to resolve the observed spectrum of acoustic frequency content. This paper presents results from this validation and outlines efforts to mature and improve the computational simulation framework.

Development of a subjective refraction simulator

NASA Astrophysics Data System (ADS)

Perches, S.; Ares, J.; Collados, M. V.

2013-11-01

We have developed simulation software by Matlab (MathworksInc.) with a graphical interface designed for non-expert users. This simulator allows you to complete the process of subjective refraction starting from the aberrometry of the patients and analyse the influence of different factors during the exam. In addition to explain the graphical interface and its working, we show two examples about a complete process of subjective refraction with the influence of high order aberrations and without them showing the retinal image obtained in each step of the refraction process. When the Jackson Cross-Cylinder technique is made with this software, it becomes clear the difficulty of chosen between two images when high order aberrations are present. Therefore, the variability of response during the refraction can be a problem when the examiner has to reach an adequate optical prescription.

A method for the computational modeling of the physics of heart murmurs

NASA Astrophysics Data System (ADS)

Seo, Jung Hee; Bakhshaee, Hani; Garreau, Guillaume; Zhu, Chi; Andreou, Andreas; Thompson, William R.; Mittal, Rajat

2017-05-01

A computational method for direct simulation of the generation and propagation of blood flow induced sounds is proposed. This computational hemoacoustic method is based on the immersed boundary approach and employs high-order finite difference methods to resolve wave propagation and scattering accurately. The current method employs a two-step, one-way coupled approach for the sound generation and its propagation through the tissue. The blood flow is simulated by solving the incompressible Navier-Stokes equations using the sharp-interface immersed boundary method, and the equations corresponding to the generation and propagation of the three-dimensional elastic wave corresponding to the murmur are resolved with a high-order, immersed boundary based, finite-difference methods in the time-domain. The proposed method is applied to a model problem of aortic stenosis murmur and the simulation results are verified and validated by comparing with known solutions as well as experimental measurements. The murmur propagation in a realistic model of a human thorax is also simulated by using the computational method. The roles of hemodynamics and elastic wave propagation on the murmur are discussed based on the simulation results.

Characteristic-based and interface-sharpening algorithm for high-order simulations of immiscible compressible multi-material flows

NASA Astrophysics Data System (ADS)

He, Zhiwei; Tian, Baolin; Zhang, Yousheng; Gao, Fujie

2017-03-01

The present work focuses on the simulation of immiscible compressible multi-material flows with the Mie-Grüneisen-type equation of state governed by the non-conservative five-equation model [1]. Although low-order single fluid schemes have already been adopted to provide some feasible results, the application of high-order schemes (introducing relatively small numerical dissipation) to these flows may lead to results with severe numerical oscillations. Consequently, attempts to apply any interface-sharpening techniques to stop the progressively more severe smearing interfaces for a longer simulation time may result in an overshoot increase and in some cases convergence to a non-physical solution occurs. This study proposes a characteristic-based interface-sharpening algorithm for performing high-order simulations of such flows by deriving a pressure-equilibrium-consistent intermediate state (augmented with approximations of pressure derivatives) for local characteristic variable reconstruction and constructing a general framework for interface sharpening. First, by imposing a weak form of the jump condition for the non-conservative five-equation model, we analytically derive an intermediate state with pressure derivatives treated as additional parameters of the linearization procedure. Based on this intermediate state, any well-established high-order reconstruction technique can be employed to provide the state at each cell edge. Second, by designing another state with only different reconstructed values of the interface function at each cell edge, the advection term in the equation of the interface function is discretized twice using any common algorithm. The difference between the two discretizations is employed consistently for interface compression, yielding a general framework for interface sharpening. Coupled with the fifth-order improved accurate monotonicity-preserving scheme [2] for local characteristic variable reconstruction and the tangent of hyperbola for the interface capturing scheme [3] for designing other reconstructed values of the interface function, the present algorithm is examined using some typical tests, with the Mie-Grüneisen-type equation of state used for characterizing the materials of interest in both one- and two-dimensional spaces. The results of these tests verify the effectiveness of the present algorithm: essentially non-oscillatory and interface-sharpened results are obtained.

Atomistic clustering-ordering and high-strain deformation of an Al0.1CrCoFeNi high-entropy alloy

PubMed Central

Sharma, Aayush; Singh, Prashant; Johnson, Duane D.; Liaw, Peter K.; Balasubramanian, Ganesh

2016-01-01

Computational investigations of structural, chemical, and deformation behavior in high-entropy alloys (HEAs), which possess notable mechanical strength, have been limited due to the absence of applicable force fields. To extend investigations, we propose a set of intermolecular potential parameters for a quinary Al-Cr-Co-Fe-Ni alloy, using the available ternary Embedded Atom Method and Lennard-Jones potential in classical molecular-dynamics simulations. The simulation results are validated by a comparison to first-principles Korringa-Kohn-Rostoker (KKR) - Coherent Potential Approximation (CPA) [KKR-CPA] calculations for the HEA structural properties (lattice constants and bulk moduli), relative stability, pair probabilities, and high-temperature short-range ordering. The simulation (MD)-derived properties are in quantitative agreement with KKR-CPA calculations (first-principles) and experiments. We study AlxCrCoFeNi for Al ranging from 0 ≤ x ≤2 mole fractions, and find that the HEA shows large chemical clustering over a wide temperature range for x < 0.5. At various temperatures high-strain compression promotes atomistic rearrangements in Al0.1CrCoFeNi, resulting in a clustering-to-ordering transition that is absent for tensile loading. Large fluctuations under stress, and at higher temperatures, are attributed to the thermo-plastic instability in Al0.1CrCoFeNi. PMID:27498807

Atomistic clustering-ordering and high-strain deformation of an Al 0.1CrCoFeNi high-entropy alloy

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

Sharma, Aayush; Singh, Prashant; Johnson, Duane D.

2016-08-08

Here, computational investigations of structural, chemical, and deformation behavior in high-entropy alloys (HEAs), which possess notable mechanical strength, have been limited due to the absence of applicable force fields. To extend investigations, we propose a set of intermolecular potential parameters for a quinary Al-Cr-Co-Fe-Ni alloy, using the available ternary Embedded Atom Method and Lennard-Jones potential in classical molecular-dynamics simulations. The simulation results are validated by a comparison to first-principles Korringa-Kohn-Rostoker (KKR) - Coherent Potential Approximation (CPA) [KKR-CPA] calculations for the HEA structural properties (lattice constants and bulk moduli), relative stability, pair probabilities, and high-temperature short-range ordering. The simulation (MD)-derived propertiesmore » are in quantitative agreement with KKR-CPA calculations (first-principles) and experiments. We study Al xCrCoFeNi for Al ranging from 0 ≤ x ≤2 mole fractions, and find that the HEA shows large chemical clustering over a wide temperature range for x < 0.5. At various temperatures high-strain compression promotes atomistic rearrangements in Al 0.1CrCoFeNi, resulting in a clustering-to-ordering transition that is absent for tensile loading. Large fluctuations under stress, and at higher temperatures, are attributed to the thermo-plastic instability in Al 0.1CrCoFeNi.« less

High-Order Entropy Stable Finite Difference Schemes for Nonlinear Conservation Laws: Finite Domains

NASA Technical Reports Server (NTRS)

Fisher, Travis C.; Carpenter, Mark H.

2013-01-01

Developing stable and robust high-order finite difference schemes requires mathematical formalism and appropriate methods of analysis. In this work, nonlinear entropy stability is used to derive provably stable high-order finite difference methods with formal boundary closures for conservation laws. Particular emphasis is placed on the entropy stability of the compressible Navier-Stokes equations. A newly derived entropy stable weighted essentially non-oscillatory finite difference method is used to simulate problems with shocks and a conservative, entropy stable, narrow-stencil finite difference approach is used to approximate viscous terms.

Molecular dynamics shows that ion pairing and counterion anchoring control the properties of triflate micelles: a comparison with triflate at the air/water interface.

PubMed

Lima, Filipe S; Chaimovich, Hernan; Cuccovia, Iolanda M; Horinek, Dominik

2014-02-11

Micellar properties of dodecyltrimethylammonium triflate (DTA-triflate, DTATf) are very different from those of DTA-bromide (DTAB). DTATf aggregates show high aggregation numbers (Nagg), low degree of counterion dissociation (α), disk-like shape, high packing, ordering, and low hydration. These micellar properties and the low surface tension of NaTf aqueous solutions point to a high affinity of Tf(-) to the micellar and air/water interfaces. Although the micellar properties of DTATf are well defined, the source of the Tf(-) effect upon the DTA aggregates is unclear. Molecular dynamics (MD) simulations of Tf(-) (and Br(-)) at the air/water interface and as counterion of a DTA aggregate were performed to clarify the nature of Tf(-) preferences for these interfaces. The effect of NaTf or NaBr on surface tension calculated from MD simulations agreed with the reported experimental values. From the MD simulations a high affinity of Tf(-) toward the interface, which occurred in a specific orientation, was calculated. The micellar properties calculated from the MD simulations for DTATf and DTAB were consistent with experimental data: in MD simulations, the DTATf aggregate was more ordered, packed, and dehydrated than the DTAB aggregate. The Tf(-)/alkyltrimethylammonium interaction energies, calculated from the MD simulations, suggested ion pair formation at the micellar interface, stabilized by the preferential orientation of the adsorbed Tf(-) at the micellar interface.

High-Order/Low-Order methods for ocean modeling

DOE PAGES

Newman, Christopher; Womeldorff, Geoff; Chacón, Luis; ...

2015-06-01

In this study, we examine a High Order/Low Order (HOLO) approach for a z-level ocean model and show that the traditional semi-implicit and split-explicit methods, as well as a recent preconditioning strategy, can easily be cast in the framework of HOLO methods. The HOLO formulation admits an implicit-explicit method that is algorithmically scalable and second-order accurate, allowing timesteps much larger than the barotropic time scale. We show how HOLO approaches, in particular the implicit-explicit method, can provide a solid route for ocean simulation to heterogeneous computing and exascale environments.

Does Explosive Nuclear Burning Occur in Tidal Disruption Events of White Dwarfs by Intermediate-mass Black Holes?

NASA Astrophysics Data System (ADS)

Tanikawa, Ataru; Sato, Yushi; Nomoto, Ken'ichi; Maeda, Keiichi; Nakasato, Naohito; Hachisu, Izumi

2017-04-01

We investigate nucleosynthesis in tidal disruption events (TDEs) of white dwarfs (WDs) by intermediate-mass black holes. We consider various types of WDs with different masses and compositions by means of three-dimensional (3D) smoothed particle hydrodynamics (SPH) simulations. We model these WDs with different numbers of SPH particles, N, from a few 104 to a few 107 in order to check mass resolution convergence, where SPH simulations with N > 107 (or a space resolution of several 106 cm) have unprecedentedly high resolution in this kind of simulation. We find that nuclear reactions become less active with increasing N and that these nuclear reactions are excited by spurious heating due to low resolution. Moreover, we find no shock wave generation. In order to investigate the reason for the absence of a shock wave, we additionally perform one-dimensional (1D) SPH and mesh-based simulations with a space resolution ranging from 104 to 107 cm, using a characteristic flow structure extracted from the 3D SPH simulations. We find shock waves in these 1D high-resolution simulations, one of which triggers a detonation wave. However, we must be careful of the fact that, if the shock wave emerged in an outer region, it could not trigger the detonation wave due to low density. Note that the 1D initial conditions lack accuracy to precisely determine where a shock wave emerges. We need to perform 3D simulations with ≲106 cm space resolution in order to conclude that WD TDEs become optical transients powered by radioactive nuclei.

Demonstration of a High-Order Mode Input Coupler for a 220-GHz Confocal Gyrotron Traveling Wave Tube

NASA Astrophysics Data System (ADS)

Guan, Xiaotong; Fu, Wenjie; Yan, Yang

2018-02-01

A design of high-order mode input coupler for 220-GHz confocal gyrotron travelling wave tube is proposed, simulated, and demonstrated by experimental tests. This input coupler is designed to excite confocal TE 06 mode from rectangle waveguide TE 10 mode over a broadband frequency range. Simulation results predict that the optimized conversion loss is about 2.72 dB with a mode purity excess of 99%. Considering of the gyrotron interaction theory, an effective bandwidth of 5 GHz is obtained, in which the beam-wave coupling efficiency is higher than half of maximum. The field pattern under low power demonstrates that TE 06 mode is successfully excited in confocal waveguide at 220 GHz. Cold test results from the vector network analyzer perform good agreements with simulation results. Both simulation and experimental results illustrate that the reflection at input port S11 is sensitive to the perpendicular separation of two mirrors. It provides an engineering possibility for estimating the assembly precision.

Computational considerations for the simulation of shock-induced sound

NASA Technical Reports Server (NTRS)

Casper, Jay; Carpenter, Mark H.

1996-01-01

The numerical study of aeroacoustic problems places stringent demands on the choice of a computational algorithm, because it requires the ability to propagate disturbances of small amplitude and short wavelength. The demands are particularly high when shock waves are involved, because the chosen algorithm must also resolve discontinuities in the solution. The extent to which a high-order-accurate shock-capturing method can be relied upon for aeroacoustics applications that involve the interaction of shocks with other waves has not been previously quantified. Such a study is initiated in this work. A fourth-order-accurate essentially nonoscillatory (ENO) method is used to investigate the solutions of inviscid, compressible flows with shocks in a quasi-one-dimensional nozzle flow. The design order of accuracy is achieved in the smooth regions of a steady-state test case. However, in an unsteady test case, only first-order results are obtained downstream of a sound-shock interaction. The difficulty in obtaining a globally high-order-accurate solution in such a case with a shock-capturing method is demonstrated through the study of a simplified, linear model problem. Some of the difficult issues and ramifications for aeroacoustics simulations of flows with shocks that are raised by these results are discussed.

Viscoelastic properties of chalcogenide glasses and the simulation of their molding processes

NASA Astrophysics Data System (ADS)

Liu, Weiguo; Shen, Ping; Jin, Na

In order to simulate the precision molding process, the viscoelastic properties of chalcogenide glasses under high temperatures were investigated. Thermomechanical analysis were performed to measure and analysis the thermomechanical properties of chalcogenide glasses. The creep responses of the glasses at different temperatures were obtained. Finite element analysis was applied for the simulation of the molding processes. The simulation results were in consistence with previously reported experiment results. Stress concentration and evolution during the molding processes was also described with the simulation results.

A study and simulation of the impact of high-order aberrations to overlay error distribution

NASA Astrophysics Data System (ADS)

Sun, G.; Wang, F.; Zhou, C.

2011-03-01

With reduction of design rules, a number of corresponding new technologies, such as i-HOPC, HOWA and DBO have been proposed and applied to eliminate overlay error. When these technologies are in use, any high-order error distribution needs to be clearly distinguished in order to remove the underlying causes. Lens aberrations are normally thought to mainly impact the Matching Machine Overlay (MMO). However, when using Image-Based overlay (IBO) measurement tools, aberrations become the dominant influence on single machine overlay (SMO) and even on stage repeatability performance. In this paper, several measurements of the error distributions of the lens of SMEE SSB600/10 prototype exposure tool are presented. Models that characterize the primary influence from lens magnification, high order distortion, coma aberration and telecentricity are shown. The contribution to stage repeatability (as measured with IBO tools) from the above errors was predicted with simulator and compared to experiments. Finally, the drift of every lens distortion that impact to SMO over several days was monitored and matched with the result of measurements.

Marc Henry de Frahan | NREL

Science.gov Websites

Computing Project, Marc develops high-fidelity turbulence models to enhance simulation accuracy and efficient numerical algorithms for future high performance computing hardware architectures. Research Interests High performance computing High order numerical methods for computational fluid dynamics Fluid

Computer simulation of space station computer steered high gain antenna

NASA Technical Reports Server (NTRS)

Beach, S. W.

1973-01-01

The mathematical modeling and programming of a complete simulation program for a space station computer-steered high gain antenna are described. The program provides for reading input data cards, numerically integrating up to 50 first order differential equations, and monitoring up to 48 variables on printed output and on plots. The program system consists of a high gain antenna, an antenna gimbal control system, an on board computer, and the environment in which all are to operate.

How to use MPI communication in highly parallel climate simulations more easily and more efficiently.

NASA Astrophysics Data System (ADS)

Behrens, Jörg; Hanke, Moritz; Jahns, Thomas

2014-05-01

In this talk we present a way to facilitate efficient use of MPI communication for developers of climate models. Exploitation of the performance potential of today's highly parallel supercomputers with real world simulations is a complex task. This is partly caused by the low level nature of the MPI communication library which is the dominant communication tool at least for inter-node communication. In order to manage the complexity of the task, climate simulations with non-trivial communication patterns often use an internal abstraction layer above MPI without exploiting the benefits of communication aggregation or MPI-datatypes. The solution for the complexity and performance problem we propose is the communication library YAXT. This library is built on top of MPI and takes high level descriptions of arbitrary domain decompositions and automatically derives an efficient collective data exchange. Several exchanges can be aggregated in order to reduce latency costs. Examples are given which demonstrate the simplicity and the performance gains for selected climate applications.

Model-order reduction of lumped parameter systems via fractional calculus

NASA Astrophysics Data System (ADS)

Hollkamp, John P.; Sen, Mihir; Semperlotti, Fabio

2018-04-01

This study investigates the use of fractional order differential models to simulate the dynamic response of non-homogeneous discrete systems and to achieve efficient and accurate model order reduction. The traditional integer order approach to the simulation of non-homogeneous systems dictates the use of numerical solutions and often imposes stringent compromises between accuracy and computational performance. Fractional calculus provides an alternative approach where complex dynamical systems can be modeled with compact fractional equations that not only can still guarantee analytical solutions, but can also enable high levels of order reduction without compromising on accuracy. Different approaches are explored in order to transform the integer order model into a reduced order fractional model able to match the dynamic response of the initial system. Analytical and numerical results show that, under certain conditions, an exact match is possible and the resulting fractional differential models have both a complex and frequency-dependent order of the differential operator. The implications of this type of approach for both model order reduction and model synthesis are discussed.

Numerical Simulation of a Seaway with Breaking

NASA Astrophysics Data System (ADS)

Dommermuth, Douglas; O'Shea, Thomas; Brucker, Kyle; Wyatt, Donald

2012-11-01

The focus of this presentation is to describe the recent efforts to simulate a fully non-linear seaway with breaking by using a high-order spectral (HOS) solution of the free-surface boundary value problem to drive a three-dimensional Volume of Fluid (VOF) solution. Historically, the two main types of simulations to simulate free-surface flows are the boundary integral equations method (BIEM) and high-order spectral (HOS) methods. BIEM calculations fail at the point at which the surface impacts upon itself, if not sooner, and HOS methods can only simulate a single valued free-surface. Both also employ a single-phase approximation in which the effects of the air on the water are neglected. Due to these limitations they are unable to simulate breaking waves and air entrainment. The Volume of Fluid (VOF) method on the other hand is suitable for modeling breaking waves and air entrainment. However it is computationally intractable to generate a realistic non-linear sea-state. Here, we use the HOS solution to quickly drive, or nudge, the VOF solution into a non-linear state. The computational strategies, mathematical formulation, and numerical implementation will be discussed. The results of the VOF simulation of a seaway with breaking will also be presented, and compared to the single phase, single valued HOS results.

The distinguishing signature of Magnetic Penrose Process

NASA Astrophysics Data System (ADS)

Dadhich, Naresh; Tursunov, Arman; Ahmedov, Bobomurat; Stuchlík, Zdeněk

2018-04-01

In this Letter, we wish to point out that the distinguishing feature of Magnetic Penrose process (MPP) is its super high efficiency exceeding 100% (which was established in mid 1980s for discrete particle accretion) of extraction of rotational energy of a rotating black hole electromagnetically for a magnetic field of milli Gauss order. Another similar process, which is also driven by electromagnetic field, is Blandford-Znajek mechanism (BZ), which could be envisaged as high magnetic field limit MPP as it requires threshold magnetic field of order 104G. Recent simulation studies of fully relativistic magnetohydrodynamic flows have borne out super high efficiency signature of the process for high magnetic field regime; viz BZ. We would like to make a clear prediction that similar simulation studies of MHD flows for low magnetic field regime, where BZ would be inoperative, would also have super efficiency.

Object Based Numerical Zooming Between the NPSS Version 1 and a 1-Dimensional Meanline High Pressure Compressor Design Analysis Code

NASA Technical Reports Server (NTRS)

Follen, G.; Naiman, C.; auBuchon, M.

2000-01-01

Within NASA's High Performance Computing and Communication (HPCC) program, NASA Glenn Research Center is developing an environment for the analysis/design of propulsion systems for aircraft and space vehicles called the Numerical Propulsion System Simulation (NPSS). The NPSS focuses on the integration of multiple disciplines such as aerodynamics, structures, and heat transfer, along with the concept of numerical zooming between 0- Dimensional to 1-, 2-, and 3-dimensional component engine codes. The vision for NPSS is to create a "numerical test cell" enabling full engine simulations overnight on cost-effective computing platforms. Current "state-of-the-art" engine simulations are 0-dimensional in that there is there is no axial, radial or circumferential resolution within a given component (e.g. a compressor or turbine has no internal station designations). In these 0-dimensional cycle simulations the individual component performance characteristics typically come from a table look-up (map) with adjustments for off-design effects such as variable geometry, Reynolds effects, and clearances. Zooming one or more of the engine components to a higher order, physics-based analysis means a higher order code is executed and the results from this analysis are used to adjust the 0-dimensional component performance characteristics within the system simulation. By drawing on the results from more predictive, physics based higher order analysis codes, "cycle" simulations are refined to closely model and predict the complex physical processes inherent to engines. As part of the overall development of the NPSS, NASA and industry began the process of defining and implementing an object class structure that enables Numerical Zooming between the NPSS Version I (0-dimension) and higher order 1-, 2- and 3-dimensional analysis codes. The NPSS Version I preserves the historical cycle engineering practices but also extends these classical practices into the area of numerical zooming for use within a companies' design system. What follows here is a description of successfully zooming I-dimensional (row-by-row) high pressure compressor results back to a NPSS engine 0-dimension simulation and a discussion of the results illustrated using an advanced data visualization tool. This type of high fidelity system-level analysis, made possible by the zooming capability of the NPSS, will greatly improve the fidelity of the engine system simulation and enable the engine system to be "pre-validated" prior to commitment to engine hardware.

Monge-Ampére simulation of fourth order PDEs in two dimensions with application to elastic-electrostatic contact problems

NASA Astrophysics Data System (ADS)

DiPietro, Kelsey L.; Lindsay, Alan E.

2017-11-01

We present an efficient moving mesh method for the simulation of fourth order nonlinear partial differential equations (PDEs) in two dimensions using the Parabolic Monge-Ampére (PMA) equation. PMA methods have been successfully applied to the simulation of second order problems, but not on systems with higher order equations which arise in many topical applications. Our main application is the resolution of fine scale behavior in PDEs describing elastic-electrostatic interactions. The PDE system considered has multiple parameter dependent singular solution modalities, including finite time singularities and sharp interface dynamics. We describe how to construct a dynamic mesh algorithm for such problems which incorporates known self similar or boundary layer scalings of the underlying equation to locate and dynamically resolve fine scale solution features in these singular regimes. We find a key step in using the PMA equation for mesh generation in fourth order problems is the adoption of a high order representation of the transformation from the computational to physical mesh. We demonstrate the efficacy of the new method on a variety of examples and establish several new results and conjectures on the nature of self-similar singularity formation in higher order PDEs.

A Review of High-Order and Optimized Finite-Difference Methods for Simulating Linear Wave Phenomena

NASA Technical Reports Server (NTRS)

Zingg, David W.

1996-01-01

This paper presents a review of high-order and optimized finite-difference methods for numerically simulating the propagation and scattering of linear waves, such as electromagnetic, acoustic, or elastic waves. The spatial operators reviewed include compact schemes, non-compact schemes, schemes on staggered grids, and schemes which are optimized to produce specific characteristics. The time-marching methods discussed include Runge-Kutta methods, Adams-Bashforth methods, and the leapfrog method. In addition, the following fourth-order fully-discrete finite-difference methods are considered: a one-step implicit scheme with a three-point spatial stencil, a one-step explicit scheme with a five-point spatial stencil, and a two-step explicit scheme with a five-point spatial stencil. For each method studied, the number of grid points per wavelength required for accurate simulation of wave propagation over large distances is presented. Recommendations are made with respect to the suitability of the methods for specific problems and practical aspects of their use, such as appropriate Courant numbers and grid densities. Avenues for future research are suggested.

High-Order Finite-Difference Schemes for Numerical Simulation of Hypersonic Boundary-Layer Transition

NASA Astrophysics Data System (ADS)

Zhong, Xiaolin

1998-08-01

Direct numerical simulation (DNS) has become a powerful tool in studying fundamental phenomena of laminar-turbulent transition of high-speed boundary layers. Previous DNS studies of supersonic and hypersonic boundary layer transition have been limited to perfect-gas flow over flat-plate boundary layers without shock waves. For hypersonic boundary layers over realistic blunt bodies, DNS studies of transition need to consider the effects of bow shocks, entropy layers, surface curvature, and finite-rate chemistry. It is necessary that numerical methods for such studies are robust and high-order accurate both in resolving wide ranges of flow time and length scales and in resolving the interaction between the bow shocks and flow disturbance waves. This paper presents a new high-order shock-fitting finite-difference method for the DNS of the stability and transition of hypersonic boundary layers over blunt bodies with strong bow shocks and with (or without) thermo-chemical nonequilibrium. The proposed method includes a set of new upwind high-order finite-difference schemes which are stable and are less dissipative than a straightforward upwind scheme using an upwind-bias grid stencil, a high-order shock-fitting formulation, and third-order semi-implicit Runge-Kutta schemes for temporal discretization of stiff reacting flow equations. The accuracy and stability of the new schemes are validated by numerical experiments of the linear wave equation and nonlinear Navier-Stokes equations. The algorithm is then applied to the DNS of the receptivity of hypersonic boundary layers over a parabolic leading edge to freestream acoustic disturbances.

Simulation of Shock-Shock Interaction in Parsec-Scale Jets

NASA Astrophysics Data System (ADS)

Fromm, Christian M.; Perucho, Manel; Ros, Eduardo; Mimica, Petar; Savolainen, Tuomas; Lobanov, Andrei P.; Zensus, J. Anton

The analysis of the radio light curves of the blazar CTA 102 during its 2006 flare revealed a possible interaction between a standing shock wave and a traveling one. In order to better understand this highly non-linear process, we used a relativistic hydrodynamic code to simulate the high energy interaction and its related emission. The calculated synchrotron emission from these simulations showed an increase in turnover flux density, Sm, and turnover frequency, νm, during the interaction and decrease to its initial values after the passage of the traveling shock wave.

Multiplicity of High-z Submillimeter Galaxies from Cosmological Simulations

NASA Astrophysics Data System (ADS)

Ball, David; Narayanan, Desika; Hopkins, Philip F.; Turk, Matthew

2015-01-01

Sub-millimeter galaxies (or SMG's) are some of the most luminous galaxies in the universe, yet are nearly invisible in the optical. Theorists have long struggled to simulate SMG's and accurately match their spectral properties and abundance to observations. Recent high-resolution observations, however, suggest that what were previously thought to be single sub-millimeter sources on the sky, may break up into multiple components when viewed with sufficient resolving power. Here, we present a combination of high-resolution cosmological hydrodynamic zoom simulations of massive galaxies in formation with a new dust radiative transfer package in order to understand this multiplicity in simulated SMGs. We find that multiplicity is a natural element of SMG formation as numerous subhalos bombard the central during its peak growth phase

Monte Carlo simulations on marker grouping and ordering.

PubMed

Wu, J; Jenkins, J; Zhu, J; McCarty, J; Watson, C

2003-08-01

Four global algorithms, maximum likelihood (ML), sum of adjacent LOD score (SALOD), sum of adjacent recombinant fractions (SARF) and product of adjacent recombinant fraction (PARF), and one approximation algorithm, seriation (SER), were used to compare the marker ordering efficiencies for correctly given linkage groups based on doubled haploid (DH) populations. The Monte Carlo simulation results indicated the marker ordering powers for the five methods were almost identical. High correlation coefficients were greater than 0.99 between grouping power and ordering power, indicating that all these methods for marker ordering were reliable. Therefore, the main problem for linkage analysis was how to improve the grouping power. Since the SER approach provided the advantage of speed without losing ordering power, this approach was used for detailed simulations. For more generality, multiple linkage groups were employed, and population size, linkage cutoff criterion, marker spacing pattern (even or uneven), and marker spacing distance (close or loose) were considered for obtaining acceptable grouping powers. Simulation results indicated that the grouping power was related to population size, marker spacing distance, and cutoff criterion. Generally, a large population size provided higher grouping power than small population size, and closely linked markers provided higher grouping power than loosely linked markers. The cutoff criterion range for achieving acceptable grouping power and ordering power differed for varying cases; however, combining all situations in this study, a cutoff criterion ranging from 50 cM to 60 cM was recommended for achieving acceptable grouping power and ordering power for different cases.

A high-order 3D spectral difference solver for simulating flows about rotating geometries

NASA Astrophysics Data System (ADS)

Zhang, Bin; Liang, Chunlei

2017-11-01

Fluid flows around rotating geometries are ubiquitous. For example, a spinning ping pong ball can quickly change its trajectory in an air flow; a marine propeller can provide enormous amount of thrust to a ship. It has been a long-time challenge to accurately simulate these flows. In this work, we present a high-order and efficient 3D flow solver based on unstructured spectral difference (SD) method and a novel sliding-mesh method. In the SD method, solution and fluxes are reconstructed using tensor products of 1D polynomials and the equations are solved in differential-form, which leads to high-order accuracy and high efficiency. In the sliding-mesh method, a computational domain is decomposed into non-overlapping subdomains. Each subdomain can enclose a geometry and can rotate relative to its neighbor, resulting in nonconforming sliding interfaces. A curved dynamic mortar approach is designed for communication on these interfaces. In this approach, solutions and fluxes are projected from cell faces to mortars to compute common values which are then projected back to ensures continuity and conservation. Through theoretical analysis and numerical tests, it is shown that this solver is conservative, free-stream preservative, and high-order accurate in both space and time.

An Evaluation of the High Level Architecture (HLA) as a Framework for NASA Modeling and Simulation

NASA Technical Reports Server (NTRS)

Reid, Michael R.; Powers, Edward I. (Technical Monitor)

2000-01-01

The High Level Architecture (HLA) is a current US Department of Defense and an industry (IEEE-1516) standard architecture for modeling and simulations. It provides a framework and set of functional rules and common interfaces for integrating separate and disparate simulators into a larger simulation. The goal of the HLA is to reduce software costs by facilitating the reuse of simulation components and by providing a runtime infrastructure to manage the simulations. In order to evaluate the applicability of the HLA as a technology for NASA space mission simulations, a Simulations Group at Goddard Space Flight Center (GSFC) conducted a study of the HLA and developed a simple prototype HLA-compliant space mission simulator. This paper summarizes the prototyping effort and discusses the potential usefulness of the HLA in the design and planning of future NASA space missions with a focus on risk mitigation and cost reduction.

Implicit integration methods for dislocation dynamics

DOE PAGES

Gardner, D. J.; Woodward, C. S.; Reynolds, D. R.; ...

2015-01-20

In dislocation dynamics simulations, strain hardening simulations require integrating stiff systems of ordinary differential equations in time with expensive force calculations, discontinuous topological events, and rapidly changing problem size. Current solvers in use often result in small time steps and long simulation times. Faster solvers may help dislocation dynamics simulations accumulate plastic strains at strain rates comparable to experimental observations. Here, this paper investigates the viability of high order implicit time integrators and robust nonlinear solvers to reduce simulation run times while maintaining the accuracy of the computed solution. In particular, implicit Runge-Kutta time integrators are explored as a waymore » of providing greater accuracy over a larger time step than is typically done with the standard second-order trapezoidal method. In addition, both accelerated fixed point and Newton's method are investigated to provide fast and effective solves for the nonlinear systems that must be resolved within each time step. Results show that integrators of third order are the most effective, while accelerated fixed point and Newton's method both improve solver performance over the standard fixed point method used for the solution of the nonlinear systems.« less

What Causes the High Apparent Speeds in Chromospheric and Transition Region Spicules on the Sun?

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

De Pontieu, Bart; Martínez-Sykora, Juan; Chintzoglou, Georgios, E-mail: bdp@lmsal.com

Spicules are the most ubuiquitous type of jets in the solar atmosphere. The advent of high-resolution imaging and spectroscopy from the Interface Region Imaging Spectrograph ( IRIS ) and ground-based observatories has revealed the presence of very high apparent motions of order 100–300 km s{sup −1} in spicules, as measured in the plane of the sky. However, line of sight measurements of such high speeds have been difficult to obtain, with values deduced from Doppler shifts in spectral lines typically of order 30–70 km s{sup −1}. In this work, we resolve this long-standing discrepancy using recent 2.5D radiative MHD simulations.more » This simulation has revealed a novel driving mechanism for spicules in which ambipolar diffusion resulting from ion-neutral interactions plays a key role. In our simulation, we often see that the upward propagation of magnetic waves and electrical currents from the low chromosphere into already existing spicules can lead to rapid heating when the currents are rapidly dissipated by ambipolar diffusion. The combination of rapid heating and the propagation of these currents at Alfvénic speeds in excess of 100 km s{sup −1} leads to the very rapid apparent motions, and often wholesale appearance, of spicules at chromospheric and transition region temperatures. In our simulation, the observed fast apparent motions in such jets are actually a signature of a heating front, and much higher than the mass flows, which are of order 30–70 km s{sup −1}. Our results can explain the behavior of transition region “network jets” and the very high apparent speeds reported for some chromospheric spicules.« less

Parameter estimation and order selection for an empirical model of VO2 on-kinetics.

PubMed

Alata, O; Bernard, O

2007-04-27

In humans, VO2 on-kinetics are noisy numerical signals that reflect the pulmonary oxygen exchange kinetics at the onset of exercise. They are empirically modelled as a sum of an offset and delayed exponentials. The number of delayed exponentials; i.e. the order of the model, is commonly supposed to be 1 for low-intensity exercises and 2 for high-intensity exercises. As no ground truth has ever been provided to validate these postulates, physiologists still need statistical methods to verify their hypothesis about the number of exponentials of the VO2 on-kinetics especially in the case of high-intensity exercises. Our objectives are first to develop accurate methods for estimating the parameters of the model at a fixed order, and then, to propose statistical tests for selecting the appropriate order. In this paper, we provide, on simulated Data, performances of Simulated Annealing for estimating model parameters and performances of Information Criteria for selecting the order. These simulated Data are generated with both single-exponential and double-exponential models, and noised by white and Gaussian noise. The performances are given at various Signal to Noise Ratio (SNR). Considering parameter estimation, results show that the confidences of estimated parameters are improved by increasing the SNR of the response to be fitted. Considering model selection, results show that Information Criteria are adapted statistical criteria to select the number of exponentials.

Investigating the ion-scale spectral break of solar wind turbulence from low to high plasma beta with high-resolution hybrid simulations

NASA Astrophysics Data System (ADS)

Franci, Luca; Landi, Simone; Matteini, Lorenzo; Verdini, Andrea; Hellinger, Petr

2016-04-01

We investigate the properties of the ion-scale spectral break of solar wind turbulence by means of two-dimensional, large-scale, high-resolution hybrid particle-in-cell simulations. We impose an initial ambient magnetic field perpendicular to the simulation box, and we add a spectrum of in-plane large- scale magnetic and kinetic fluctuations, with energy equipartition and vanishing correlation. We perform a set of ten simulations with different values of the ion plasma beta, β_i. In all cases, we observe the power spectrum of the total magnetic fluctuations following a power law with a spectral index of -5/3 in the inertial range, with a smooth break around ion scales and a steeper power law in the sub-ion range. This spectral break always occurs at spatial scales of the order of the proton gyroradius, ρ_i, and the proton inertial length, di = ρi / √{β_i}. When the plasma beta is of the order of 1, the two scales are very close to each other and determining which is directly related to the steepening of the spectra it's not straightforward at all. In order to overcome this limitation, we extended the range of values of βi over three orders of magnitude, from 0.01 to 10, so that the two ion scales were well separated. This let us observe that the break always seems to occur at the larger of the two scales, i.e., at di for βi 1. The effect of βi on the spectra of the parallel and perpendicular magnetic components separately and of the density fluctuations is also investigated. We compare all our numerical results with solar wind observations and suggest possible explanations for our findings.

Highly improved staggered quarks on the lattice with applications to charm physics

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

Follana, E.; Davies, C.; Wong, K.

2007-03-01

We use perturbative Symanzik improvement to create a new staggered-quark action (HISQ) that has greatly reduced one-loop taste-exchange errors, no tree-level order a{sup 2} errors, and no tree-level order (am){sup 4} errors to leading order in the quark's velocity v/c. We demonstrate with simulations that the resulting action has taste-exchange interactions that are 3-4 times smaller than the widely used ASQTAD action. We show how to bound errors due to taste exchange by comparing ASQTAD and HISQ simulations, and demonstrate with simulations that such errors are likely no more than 1% when HISQ is used for light quarks at latticemore » spacings of 1/10 fm or less. The suppression of (am){sup 4} errors also makes HISQ the most accurate discretization currently available for simulating c quarks. We demonstrate this in a new analysis of the {psi}-{eta}{sub c} mass splitting using the HISQ action on lattices where am{sub c}=0.43 and 0.66, with full-QCD gluon configurations (from MILC). We obtain a result of 111(5) MeV which compares well with the experiment. We discuss applications of this formalism to D physics and present our first high-precision results for D{sub s} mesons.« less

Adaptive optics vision simulation and perceptual learning system based on a 35-element bimorph deformable mirror.

PubMed

Dai, Yun; Zhao, Lina; Xiao, Fei; Zhao, Haoxin; Bao, Hua; Zhou, Hong; Zhou, Yifeng; Zhang, Yudong

2015-02-10

An adaptive optics visual simulation combined with a perceptual learning (PL) system based on a 35-element bimorph deformable mirror (DM) was established. The larger stroke and smaller size of the bimorph DM made the system have larger aberration correction or superposition ability and be more compact. By simply modifying the control matrix or the reference matrix, select correction or superposition of aberrations was realized in real time similar to a conventional adaptive optics closed-loop correction. PL function was first integrated in addition to conventional adaptive optics visual simulation. PL training undertaken with high-order aberrations correction obviously improved the visual function of adult anisometropic amblyopia. The preliminary application of high-order aberrations correction with PL training on amblyopia treatment was being validated with a large scale population, which might have great potential in amblyopia treatment and visual performance maintenance.

High-order-harmonic generation from H2+ molecular ions near plasmon-enhanced laser fields

NASA Astrophysics Data System (ADS)

Yavuz, I.; Tikman, Y.; Altun, Z.

2015-08-01

Simulations of plasmon-enhanced high-order-harmonic generation are performed for a H2+ molecular cation near the metallic nanostructures. We employ the numerical solution of the time-dependent Schrödinger equation in reduced coordinates. We assume that the main axis of H2+ is aligned perfectly with the polarization direction of the plasmon-enhanced field. We perform systematic calculations on plasmon-enhanced harmonic generation based on an infinite-mass approximation, i.e., pausing nuclear vibrations. Our simulations show that molecular high-order-harmonic generation from plasmon-enhanced laser fields is possible. We observe the dispersion of a plateau of harmonics when the laser field is plasmon enhanced. We find that the maximum kinetic energy of the returning electron follows 4 Up . We also find that when nuclear vibrations are enabled, the efficiency of the harmonics is greatly enhanced relative to that of static nuclei. However, the maximum kinetic energy 4 Up is largely maintained.

Hydrodynamic optical-field-ionized plasma channels

NASA Astrophysics Data System (ADS)

Shalloo, R. J.; Arran, C.; Corner, L.; Holloway, J.; Jonnerby, J.; Walczak, R.; Milchberg, H. M.; Hooker, S. M.

2018-05-01

We present experiments and numerical simulations which demonstrate that fully ionized, low-density plasma channels could be formed by hydrodynamic expansion of plasma columns produced by optical field ionization. Simulations of the hydrodynamic expansion of plasma columns formed in hydrogen by an axicon lens show the generation of 200 mm long plasma channels with axial densities of order ne(0 ) =1 ×1017cm-3 and lowest-order modes of spot size WM≈40 μ m . These simulations show that the laser energy required to generate the channels is modest: of order 1 mJ per centimeter of channel. The simulations are confirmed by experiments with a spherical lens which show the formation of short plasma channels with 1.5 ×1017cm-3≲ne(0 ) ≲1 ×1018cm-3 and 61 μ m ≳WM≳33 μ m . Low-density plasma channels of this type would appear to be well suited as multi-GeV laser-plasma accelerator stages capable of long-term operation at high pulse repetition rates.

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

Zou, Ling; Zhao, Haihua; Kim, Seung Jun

In this study, the classical Welander’s oscillatory natural circulation problem is investigated using high-order numerical methods. As originally studied by Welander, the fluid motion in a differentially heated fluid loop can exhibit stable, weakly instable, and strongly instable modes. A theoretical stability map has also been originally derived from the stability analysis. Numerical results obtained in this paper show very good agreement with Welander’s theoretical derivations. For stable cases, numerical results from both the high-order and low-order numerical methods agree well with the non-dimensional flow rate analytically derived. The high-order numerical methods give much less numerical errors compared to themore » low-order methods. For stability analysis, the high-order numerical methods could perfectly predict the stability map, while the low-order numerical methods failed to do so. For all theoretically unstable cases, the low-order methods predicted them to be stable. The result obtained in this paper is a strong evidence to show the benefits of using high-order numerical methods over the low-order ones, when they are applied to simulate natural circulation phenomenon that has already gain increasing interests in many future nuclear reactor designs.« less

Transfer function verification and block diagram simplification of a very high-order distributed pole closed-loop servo by means of non-linear time-response simulation

NASA Technical Reports Server (NTRS)

Mukhopadhyay, A. K.

1975-01-01

Linear frequency domain methods are inadequate in analyzing the 1975 Viking Orbiter (VO75) digital tape recorder servo due to dominant nonlinear effects such as servo signal limiting, unidirectional servo control, and static/dynamic Coulomb friction. The frequency loop (speed control) servo of the VO75 tape recorder is used to illustrate the analytical tools and methodology of system redundancy elimination and high order transfer function verification. The paper compares time-domain performance parameters derived from a series of nonlinear time responses with the available experimental data in order to select the best possible analytical transfer function representation of the tape transport (mechanical segment of the tape recorder) from several possible candidates. The study also shows how an analytical time-response simulation taking into account most system nonlinearities can pinpoint system redundancy and overdesign stemming from a strictly empirical design approach. System order reduction is achieved through truncation of individual transfer functions and elimination of redundant blocks.

Design of a Low Gravity Simulator for Performing Non-Equilibrium Investigations near the Lambda Transition of ^4He

NASA Technical Reports Server (NTRS)

Israelsson, U. E.; Duncan, R. V.

1993-01-01

A design is presented of a low gravity simulator where a magnetic field gradient is employed to oppose the hydrostatic pressure effects of gravity. It appears feasible to reduce the effective gravity environment of the helium in the cell by about two orders of magnitude. The corresponding shift in transition temperature with vertical height would be reduced to 12.7 nK/cm. Methods for instrumenting the simulator to perform high resolution investigations of non-equilibrium phenomena near the lambda point are presented. The advantages of using a low gravity simulator in searching for the predicted change in character of the superfluid transition from continuous to first order in the presence of a heat current are also discussed.

Dependence of short and intermediate-range order on preparation in experimental and modeled pure a-Si

DOE PAGES

Holmstrom, Eero; Haberl, Bianca; Pakarinen, Olli H.; ...

2016-02-20

Variability in the short-to-intermediate range order of pure amorphous silicon prepared by different experimental and computational techniques is probed by measuring mass density, atomic coordination, bond-angle deviation, and dihedral angle deviation. It is found that there is significant variability in order parameters at these length scales in this archetypal covalently bonded, monoatomic system. This diversity strongly reflects preparation technique and thermal history in both experimental and simulated systems. Experiment and simulation do not fully quantitatively agree, partly due to differences in the way parameters are accessed. However, qualitative agreement in the trends is identified. Relaxed forms of amorphous silicon closelymore » resemble continuous random networks generated by a hybrid method of bond-switching Monte Carlo and molecular dynamics simulation. As-prepared ion implanted amorphous silicon can be adequately modeled using a structure generated from amorphization via ion bombardement using energetic recoils. Preparation methods which narrowly avoid crystallization such as experimental pressure-induced amorphization or simulated melt-quenching result in inhomogeneous structures that contain regions with significant variations in atomic ordering. Ad hoc simulated structures containing small (1 nm) diamond cubic crystal inclusions were found to possess relatively high bond-angle deviations and low dihedral angle deviations, a trend that could not be reconciled with any experimental material.« less

Numerical study on the Welander oscillatory natural circulation problem using high-order numerical methods

DOE PAGES

Zou, Ling; Zhao, Haihua; Kim, Seung Jun

2016-11-16

In this study, the classical Welander’s oscillatory natural circulation problem is investigated using high-order numerical methods. As originally studied by Welander, the fluid motion in a differentially heated fluid loop can exhibit stable, weakly instable, and strongly instable modes. A theoretical stability map has also been originally derived from the stability analysis. Numerical results obtained in this paper show very good agreement with Welander’s theoretical derivations. For stable cases, numerical results from both the high-order and low-order numerical methods agree well with the non-dimensional flow rate analytically derived. The high-order numerical methods give much less numerical errors compared to themore » low-order methods. For stability analysis, the high-order numerical methods could perfectly predict the stability map, while the low-order numerical methods failed to do so. For all theoretically unstable cases, the low-order methods predicted them to be stable. The result obtained in this paper is a strong evidence to show the benefits of using high-order numerical methods over the low-order ones, when they are applied to simulate natural circulation phenomenon that has already gain increasing interests in many future nuclear reactor designs.« less

High-charge and multiple-star vortex coronagraphy from stacked vector vortex phase masks.

PubMed

Aleksanyan, Artur; Brasselet, Etienne

2018-02-01

Optical vortex phase masks are now installed at many ground-based large telescopes for high-contrast astronomical imaging. To date, such instrumental advances have been restricted to the use of helical phase masks of the lowest even order, while future giant telescopes will require high-order masks. Here we propose a single-stage on-axis scheme to create high-order vortex coronagraphs based on second-order vortex phase masks. By extending our approach to an off-axis design, we also explore the implementation of multiple-star vortex coronagraphy. An experimental laboratory demonstration is reported and supported by numerical simulations. These results offer a practical roadmap to the development of future coronagraphic tools with enhanced performances.

Virtual Simulations: A Creative, Evidence-Based Approach to Develop and Educate Nurses.

PubMed

Leibold, Nancyruth; Schwarz, Laura

2017-02-01

The use of virtual simulations in nursing is an innovative strategy that is increasing in application. There are several terms related to virtual simulation; although some are used interchangeably, the meanings are not the same. This article presents examples of virtual simulation, virtual worlds, and virtual patients in continuing education, staff development, and academic nursing education. Virtual simulations in nursing use technology to provide safe, as realistic as possible clinical practice for nurses and nursing students. Virtual simulations are useful for learning new skills; practicing a skill that puts content, high-order thinking, and psychomotor elements together; skill competency learning; and assessment for low-volume, high-risk skills. The purpose of this article is to describe the related terms, examples, uses, theoretical frameworks, challenges, and evidence related to virtual simulations in nursing.

Midwifery students' experiences of simulation- and skills training.

PubMed

Lendahls, Lena; Oscarsson, Marie G

2017-03-01

In Sweden, simulation- and skills training are implemented in midwifery education in order to prepare students for clinical practice. Research regarding the use of both low to high levels of fidelity in simulation in midwifery programme is limited. The aim of this study was to explore midwifery students' experiences of simulation- and skills training. Midwifery students (n=61), at advanced level, were interviewed in 13 group interviews from 2011 to 2105. A semi-structured interview guide was used, and data were analysed by content analysis. The results are presented in four main categories: develops hands on skills and communication, power of collaborative learning, highly valued learning environment and facilitates clinical practice. The majority of students felt that the simulation- and skills training were necessary to become familiar with hands on skills. Having repetitive practices in a safe and secure environment was viewed as important, and students highly valued that mistakes could be made without fear of comprising patient safety. Student's collaboration, reflections and critical thinking increased learning ability. Simulation- and skills training created links between theory and practice, and the lecturer had an important role in providing instructions and feedback. Students felt prepared and confident before their clinical practice, and simulation- and skills training increased safety for all involved, resulting in students being more confident, as patients in clinical practice became less exposed. Furthermore, mentors were satisfied with students' basic skills. Simulation- and skills training support the development of midwifery skills. It creates links between theory and practice, which facilitates students' learning ability. Training needs to include reflections and critical thinking in order to develop their learning. The lecturer has an important role in encouraging time for reflections and creating safe environment during the skills and simulation training. Copyright © 2016 Elsevier Ltd. All rights reserved.

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.

Stability switches of arbitrary high-order consensus in multiagent networks with time delays.

PubMed

Yang, Bo

2013-01-01

High-order consensus seeking, in which individual high-order dynamic agents share a consistent view of the objectives and the world in a distributed manner, finds its potential broad applications in the field of cooperative control. This paper presents stability switches analysis of arbitrary high-order consensus in multiagent networks with time delays. By employing a frequency domain method, we explicitly derive analytical equations that clarify a rigorous connection between the stability of general high-order consensus and the system parameters such as the network topology, communication time-delays, and feedback gains. Particularly, our results provide a general and a fairly precise notion of how increasing communication time-delay causes the stability switches of consensus. Furthermore, under communication constraints, the stability and robustness problems of consensus algorithms up to third order are discussed in details to illustrate our central results. Numerical examples and simulation results for fourth-order consensus are provided to demonstrate the effectiveness of our theoretical results.

Observation of High-Order Polarization-Locked Vector Solitons in a Fiber Laser

NASA Astrophysics Data System (ADS)

Tang, D. Y.; Zhang, H.; Zhao, L. M.; Wu, X.

2008-10-01

We report on the experimental observation of a new type of polarization-locked vector soliton in a passively mode-locked fiber laser. The vector soliton is characterized by the fact that not only are the two orthogonally polarized soliton components phase-locked, but also one of the components has a double-humped intensity profile. Multiple phase-locked high-order vector solitons with identical soliton parameters and harmonic mode locking of the vector solitons were also obtained in the laser. Numerical simulations confirmed the existence of stable high-order vector solitons in the fiber laser.

Observation of high-order polarization-locked vector solitons in a fiber laser.

PubMed

Tang, D Y; Zhang, H; Zhao, L M; Wu, X

2008-10-10

We report on the experimental observation of a new type of polarization-locked vector soliton in a passively mode-locked fiber laser. The vector soliton is characterized by the fact that not only are the two orthogonally polarized soliton components phase-locked, but also one of the components has a double-humped intensity profile. Multiple phase-locked high-order vector solitons with identical soliton parameters and harmonic mode locking of the vector solitons were also obtained in the laser. Numerical simulations confirmed the existence of stable high-order vector solitons in the fiber laser.

Estimation of Phase in Fringe Projection Technique Using High-order Instantaneous Moments Based Method

NASA Astrophysics Data System (ADS)

Gorthi, Sai Siva; Rajshekhar, G.; Rastogi, Pramod

2010-04-01

For three-dimensional (3D) shape measurement using fringe projection techniques, the information about the 3D shape of an object is encoded in the phase of a recorded fringe pattern. The paper proposes a high-order instantaneous moments based method to estimate phase from a single fringe pattern in fringe projection. The proposed method works by approximating the phase as a piece-wise polynomial and subsequently determining the polynomial coefficients using high-order instantaneous moments to construct the polynomial phase. Simulation results are presented to show the method's potential.

Generation of intense high-order vortex harmonics.

PubMed

Zhang, Xiaomei; Shen, Baifei; Shi, Yin; Wang, Xiaofeng; Zhang, Lingang; Wang, Wenpeng; Xu, Jiancai; Yi, Longqiong; Xu, Zhizhan

2015-05-01

This Letter presents for the first time a scheme to generate intense high-order optical vortices that carry orbital angular momentum in the extreme ultraviolet region based on relativistic harmonics from the surface of a solid target. In the three-dimensional particle-in-cell simulation, the high-order harmonics of the high-order vortex mode is generated in both reflected and transmitted light beams when a linearly polarized Laguerre-Gaussian laser pulse impinges on a solid foil. The azimuthal mode of the harmonics scales with its order. The intensity of the high-order vortex harmonics is close to the relativistic region, with the pulse duration down to attosecond scale. The obtained intense vortex beam possesses the combined properties of fine transversal structure due to the high-order mode and the fine longitudinal structure due to the short wavelength of the high-order harmonics. In addition to the application in high-resolution detection in both spatial and temporal scales, it also presents new opportunities in the intense vortex required fields, such as the inner shell ionization process and high energy twisted photons generation by Thomson scattering of such an intense vortex beam off relativistic electrons.

A novel hybrid scattering order-dependent variance reduction method for Monte Carlo simulations of radiative transfer in cloudy atmosphere

NASA Astrophysics Data System (ADS)

Wang, Zhen; Cui, Shengcheng; Yang, Jun; Gao, Haiyang; Liu, Chao; Zhang, Zhibo

2017-03-01

We present a novel hybrid scattering order-dependent variance reduction method to accelerate the convergence rate in both forward and backward Monte Carlo radiative transfer simulations involving highly forward-peaked scattering phase function. This method is built upon a newly developed theoretical framework that not only unifies both forward and backward radiative transfer in scattering-order-dependent integral equation, but also generalizes the variance reduction formalism in a wide range of simulation scenarios. In previous studies, variance reduction is achieved either by using the scattering phase function forward truncation technique or the target directional importance sampling technique. Our method combines both of them. A novel feature of our method is that all the tuning parameters used for phase function truncation and importance sampling techniques at each order of scattering are automatically optimized by the scattering order-dependent numerical evaluation experiments. To make such experiments feasible, we present a new scattering order sampling algorithm by remodeling integral radiative transfer kernel for the phase function truncation method. The presented method has been implemented in our Multiple-Scaling-based Cloudy Atmospheric Radiative Transfer (MSCART) model for validation and evaluation. The main advantage of the method is that it greatly improves the trade-off between numerical efficiency and accuracy order by order.

Design of a Modular Monolithic Implicit Solver for Multi-Physics Applications

NASA Technical Reports Server (NTRS)

Carton De Wiart, Corentin; Diosady, Laslo T.; Garai, Anirban; Burgess, Nicholas; Blonigan, Patrick; Ekelschot, Dirk; Murman, Scott M.

2018-01-01

The design of a modular multi-physics high-order space-time finite-element framework is presented together with its extension to allow monolithic coupling of different physics. One of the main objectives of the framework is to perform efficient high- fidelity simulations of capsule/parachute systems. This problem requires simulating multiple physics including, but not limited to, the compressible Navier-Stokes equations, the dynamics of a moving body with mesh deformations and adaptation, the linear shell equations, non-re effective boundary conditions and wall modeling. The solver is based on high-order space-time - finite element methods. Continuous, discontinuous and C1-discontinuous Galerkin methods are implemented, allowing one to discretize various physical models. Tangent and adjoint sensitivity analysis are also targeted in order to conduct gradient-based optimization, error estimation, mesh adaptation, and flow control, adding another layer of complexity to the framework. The decisions made to tackle these challenges are presented. The discussion focuses first on the "single-physics" solver and later on its extension to the monolithic coupling of different physics. The implementation of different physics modules, relevant to the capsule/parachute system, are also presented. Finally, examples of coupled computations are presented, paving the way to the simulation of the full capsule/parachute system.

Does Explosive Nuclear Burning Occur in Tidal Disruption Events of White Dwarfs by Intermediate-mass Black Holes?

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

Tanikawa, Ataru; Sato, Yushi; Hachisu, Izumi

We investigate nucleosynthesis in tidal disruption events (TDEs) of white dwarfs (WDs) by intermediate-mass black holes. We consider various types of WDs with different masses and compositions by means of three-dimensional (3D) smoothed particle hydrodynamics (SPH) simulations. We model these WDs with different numbers of SPH particles, N , from a few 10{sup 4} to a few 10{sup 7} in order to check mass resolution convergence, where SPH simulations with N > 10{sup 7} (or a space resolution of several 10{sup 6} cm) have unprecedentedly high resolution in this kind of simulation. We find that nuclear reactions become less activemore » with increasing N and that these nuclear reactions are excited by spurious heating due to low resolution. Moreover, we find no shock wave generation. In order to investigate the reason for the absence of a shock wave, we additionally perform one-dimensional (1D) SPH and mesh-based simulations with a space resolution ranging from 10{sup 4} to 10{sup 7} cm, using a characteristic flow structure extracted from the 3D SPH simulations. We find shock waves in these 1D high-resolution simulations, one of which triggers a detonation wave. However, we must be careful of the fact that, if the shock wave emerged in an outer region, it could not trigger the detonation wave due to low density. Note that the 1D initial conditions lack accuracy to precisely determine where a shock wave emerges. We need to perform 3D simulations with ≲10{sup 6} cm space resolution in order to conclude that WD TDEs become optical transients powered by radioactive nuclei.« less

Methods for simulation-based analysis of fluid-structure interaction.

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

Barone, Matthew Franklin; Payne, Jeffrey L.

2005-10-01

Methods for analysis of fluid-structure interaction using high fidelity simulations are critically reviewed. First, a literature review of modern numerical techniques for simulation of aeroelastic phenomena is presented. The review focuses on methods contained within the arbitrary Lagrangian-Eulerian (ALE) framework for coupling computational fluid dynamics codes to computational structural mechanics codes. The review treats mesh movement algorithms, the role of the geometric conservation law, time advancement schemes, wetted surface interface strategies, and some representative applications. The complexity and computational expense of coupled Navier-Stokes/structural dynamics simulations points to the need for reduced order modeling to facilitate parametric analysis. The proper orthogonalmore » decomposition (POD)/Galerkin projection approach for building a reduced order model (ROM) is presented, along with ideas for extension of the methodology to allow construction of ROMs based on data generated from ALE simulations.« less

On processed splitting methods and high-order actions in path-integral Monte Carlo simulations.

PubMed

Casas, Fernando

2010-10-21

Processed splitting methods are particularly well adapted to carry out path-integral Monte Carlo (PIMC) simulations: since one is mainly interested in estimating traces of operators, only the kernel of the method is necessary to approximate the thermal density matrix. Unfortunately, they suffer the same drawback as standard, nonprocessed integrators: kernels of effective order greater than two necessarily involve some negative coefficients. This problem can be circumvented, however, by incorporating modified potentials into the composition, thus rendering schemes of higher effective order. In this work we analyze a family of fourth-order schemes recently proposed in the PIMC setting, paying special attention to their linear stability properties, and justify their observed behavior in practice. We also propose a new fourth-order scheme requiring the same computational cost but with an enlarged stability interval.

First experiences of high-fidelity simulation training in junior nursing students in Korea.

PubMed

Lee, Suk Jeong; Kim, Sang Suk; Park, Young-Mi

2015-07-01

This study was conducted to explore first experiences of high-fidelity simulation training in Korean nursing students, in order to develop and establish more effective guidelines for future simulation training in Korea. Thirty-three junior nursing students participated in high-fidelity simulation training for the first time. Using both qualitative and quantitative methods, data were collected from reflective journals and questionnaires of simulation effectiveness after simulation training. Descriptive statistics were used to analyze simulation effectiveness and content analysis was performed with the reflective journal data. Five dimensions and 31 domains, both positive and negative experiences, emerged from qualitative analysis: (i) machine-human interaction in a safe environment; (ii) perceived learning capability; (iii) observational learning; (iv) reconciling practice with theory; and (v) follow-up debriefing effect. More than 70% of students scored high on increased ability to identify changes in the patient's condition, critical thinking, decision-making, effectiveness of peer observation, and debriefing in effectiveness of simulation. This study reported both positive and negative experiences of simulation. The results of this study could be used to set the level of task difficulty in simulation. Future simulation programs can be designed by reinforcing the positive experiences and modifying the negative results. © 2014 The Authors. Japan Journal of Nursing Science © 2014 Japan Academy of Nursing Science.

Third-Order Elliptic Lowpass Filter for Multi-Standard Baseband Chain Using Highly Linear Digitally Programmable OTA

NASA Astrophysics Data System (ADS)

Elamien, Mohamed B.; Mahmoud, Soliman A.

2018-03-01

In this paper, a third-order elliptic lowpass filter is designed using highly linear digital programmable balanced OTA. The filter exhibits a cutoff frequency tuning range from 2.2 MHz to 7.1 MHz, thus, it covers W-CDMA, UMTS, and DVB-H standards. The programmability concept in the filter is achieved by using digitally programmable operational transconductors amplifier (DPOTA). The DPOTA employs three linearization techniques which are the source degeneration, double differential pair and the adaptive biasing. Two current division networks (CDNs) are used to control the value of the transconductance. For the DPOTA, the third-order harmonic distortion (HD3) remains below -65 dB up to 0.4 V differential input voltage at 1.2 V supply voltage. The DPOTA and the filter are designed and simulated in 90 nm CMOS technology with LTspice simulator.

Solution of the hydrodynamic device model using high-order non-oscillatory shock capturing algorithms

NASA Technical Reports Server (NTRS)

Fatemi, Emad; Jerome, Joseph; Osher, Stanley

1989-01-01

A micron n+ - n - n+ silicon diode is simulated via the hydrodynamic model for carrier transport. The numerical algorithms employed are for the non-steady case, and a limiting process is used to reach steady state. The simulation employs shock capturing algorithms, and indeed shocks, or very rapid transition regimes, are observed in the transient case for the coupled system, consisting of the potential equation and the conservation equations describing charge, momentum, and energy transfer for the electron carriers. These algorithms, termed essentially non-oscillatory, were successfully applied in other contexts to model the flow in gas dynamics, magnetohydrodynamics, and other physical situations involving the conservation laws in fluid mechanics. The method here is first order in time, but the use of small time steps allows for good accuracy. Runge-Kutta methods allow one to achieve higher accuracy in time if desired. The spatial accuracy is of high order in regions of smoothness.

An immersed boundary method for direct and large eddy simulation of stratified flows in complex geometry

NASA Astrophysics Data System (ADS)

Rapaka, Narsimha R.; Sarkar, Sutanu

2016-10-01

A sharp-interface Immersed Boundary Method (IBM) is developed to simulate density-stratified turbulent flows in complex geometry using a Cartesian grid. The basic numerical scheme corresponds to a central second-order finite difference method, third-order Runge-Kutta integration in time for the advective terms and an alternating direction implicit (ADI) scheme for the viscous and diffusive terms. The solver developed here allows for both direct numerical simulation (DNS) and large eddy simulation (LES) approaches. Methods to enhance the mass conservation and numerical stability of the solver to simulate high Reynolds number flows are discussed. Convergence with second-order accuracy is demonstrated in flow past a cylinder. The solver is validated against past laboratory and numerical results in flow past a sphere, and in channel flow with and without stratification. Since topographically generated internal waves are believed to result in a substantial fraction of turbulent mixing in the ocean, we are motivated to examine oscillating tidal flow over a triangular obstacle to assess the ability of this computational model to represent nonlinear internal waves and turbulence. Results in laboratory-scale (order of few meters) simulations show that the wave energy flux, mean flow properties and turbulent kinetic energy agree well with our previous results obtained using a body-fitted grid (BFG). The deviation of IBM results from BFG results is found to increase with increasing nonlinearity in the wave field that is associated with either increasing steepness of the topography relative to the internal wave propagation angle or with the amplitude of the oscillatory forcing. LES is performed on a large scale ridge, of the order of few kilometers in length, that has the same geometrical shape and same non-dimensional values for the governing flow and environmental parameters as the laboratory-scale topography, but significantly larger Reynolds number. A non-linear drag law is utilized in the large-scale application to parameterize turbulent losses due to bottom friction at high Reynolds number. The large scale problem exhibits qualitatively similar behavior to the laboratory scale problem with some differences: slightly larger intensification of the boundary flow and somewhat higher non-dimensional values for the energy fluxed away by the internal wave field. The phasing of wave breaking and turbulence exhibits little difference between small-scale and large-scale obstacles as long as the important non-dimensional parameters are kept the same. We conclude that IBM is a viable approach to the simulation of internal waves and turbulence in high Reynolds number stratified flows over topography.

A high-order semi-explicit discontinuous Galerkin solver for 3D incompressible flow with application to DNS and LES of turbulent channel flow

NASA Astrophysics Data System (ADS)

Krank, Benjamin; Fehn, Niklas; Wall, Wolfgang A.; Kronbichler, Martin

2017-11-01

We present an efficient discontinuous Galerkin scheme for simulation of the incompressible Navier-Stokes equations including laminar and turbulent flow. We consider a semi-explicit high-order velocity-correction method for time integration as well as nodal equal-order discretizations for velocity and pressure. The non-linear convective term is treated explicitly while a linear system is solved for the pressure Poisson equation and the viscous term. The key feature of our solver is a consistent penalty term reducing the local divergence error in order to overcome recently reported instabilities in spatially under-resolved high-Reynolds-number flows as well as small time steps. This penalty method is similar to the grad-div stabilization widely used in continuous finite elements. We further review and compare our method to several other techniques recently proposed in literature to stabilize the method for such flow configurations. The solver is specifically designed for large-scale computations through matrix-free linear solvers including efficient preconditioning strategies and tensor-product elements, which have allowed us to scale this code up to 34.4 billion degrees of freedom and 147,456 CPU cores. We validate our code and demonstrate optimal convergence rates with laminar flows present in a vortex problem and flow past a cylinder and show applicability of our solver to direct numerical simulation as well as implicit large-eddy simulation of turbulent channel flow at Reτ = 180 as well as 590.

The distinguishing signature of magnetic Penrose process

NASA Astrophysics Data System (ADS)

Dadhich, Naresh; Tursunov, Arman; Ahmedov, Bobomurat; Stuchlík, Zdeněk

2018-07-01

In this Letter, we wish to point out that the distinguishing feature of magnetic Penrose process (MPP) is its super high-efficiency exceeding 100 per cent (which was established in mid 1980s for discrete particle accretion) of extraction of rotational energy of a rotating black hole electromagnetically for a magnetic field of milli Gauss order. Another similar process, which is also driven by the electromagnetic field, is Blandford-Znajek mechanism (BZ) that could be envisaged as high magnetic field limit MPP as it requires threshold magnetic field of order 104 G. Recent simulation studies of fully relativistic magnetohydrodynamic (MHD) flows have borne out super high-efficiency signature of the process for high magnetic field regime; viz BZ. We would like to make a clear prediction that similar simulation studies of MHD flows for low magnetic field regime, where BZ would be inoperative, would also have superefficiency.

Boundary Avoidance Tracking for Instigating Pilot Induced Oscillations

NASA Technical Reports Server (NTRS)

Craun, Robert W.; Acosta, Diana M.; Beard, Steven D.; Hardy, Gordon H.; Leonard, Michael W.; Weinstein, Michael

2013-01-01

In order to advance research in the area of pilot induced oscillations, a reliable method to create PIOs in a simulated environment is necessary. Using a boundary avoidance tracking task, researchers performing an evaluation of control systems were able to create PIO events in 42% of cases using a nominal aircraft, and 91% of cases using an aircraft with reduced actuator rate limits. The simulator evaluation took place in the NASA Ames Vertical Motion Simulator, a high-fidelity motion-based simulation facility.

Pointing System Simulation Toolbox with Application to a Balloon Mission Simulator

NASA Technical Reports Server (NTRS)

Maringolo Baldraco, Rosana M.; Aretskin-Hariton, Eliot D.; Swank, Aaron J.

2017-01-01

The development of attitude estimation and pointing-control algorithms is necessary in order to achieve high-fidelity modeling for a Balloon Mission Simulator (BMS). A pointing system simulation toolbox was developed to enable this. The toolbox consists of a star-tracker (ST) and Inertial Measurement Unit (IMU) signal generator, a UDP (User Datagram Protocol) communication le (bridge), and an indirect-multiplicative extended Kalman filter (imEKF). This document describes the Python toolbox developed and the results of its implementation in the imEKF.

Nanophotonic particle simulation and inverse design using artificial neural networks.

PubMed

Peurifoy, John; Shen, Yichen; Jing, Li; Yang, Yi; Cano-Renteria, Fidel; DeLacy, Brendan G; Joannopoulos, John D; Tegmark, Max; Soljačić, Marin

2018-06-01

We propose a method to use artificial neural networks to approximate light scattering by multilayer nanoparticles. We find that the network needs to be trained on only a small sampling of the data to approximate the simulation to high precision. Once the neural network is trained, it can simulate such optical processes orders of magnitude faster than conventional simulations. Furthermore, the trained neural network can be used to solve nanophotonic inverse design problems by using back propagation, where the gradient is analytical, not numerical.

CCSI and the role of advanced computing in accelerating the commercial deployment of carbon capture systems

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

Miller, David; Agarwal, Deborah A.; Sun, Xin

2011-09-01

The Carbon Capture Simulation Initiative is developing state-of-the-art computational modeling and simulation tools to accelerate the commercialization of carbon capture technology. The CCSI Toolset consists of an integrated multi-scale modeling and simulation framework, which includes extensive use of reduced order models (ROMs) and a comprehensive uncertainty quantification (UQ) methodology. This paper focuses on the interrelation among high performance computing, detailed device simulations, ROMs for scale-bridging, UQ and the integration framework.

CCSI and the role of advanced computing in accelerating the commercial deployment of carbon capture systems

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

Miller, D.; Agarwal, D.; Sun, X.

2011-01-01

The Carbon Capture Simulation Initiative is developing state-of-the-art computational modeling and simulation tools to accelerate the commercialization of carbon capture technology. The CCSI Toolset consists of an integrated multi-scale modeling and simulation framework, which includes extensive use of reduced order models (ROMs) and a comprehensive uncertainty quantification (UQ) methodology. This paper focuses on the interrelation among high performance computing, detailed device simulations, ROMs for scale-bridging, UQ and the integration framework.

CHORUS code for solar and planetary convection

NASA Astrophysics Data System (ADS)

Wang, Junfeng

Turbulent, density stratified convection is ubiquitous in stars and planets. Numerical simulation has become an indispensable tool for understanding it. A primary contribution of this dissertation work is the creation of the Compressible High-ORder Unstructured Spectral-difference (CHORUS) code for simulating the convection and related fluid dynamics in the interiors of stars and planets. In this work, the CHORUS code is verified by using two newly defined benchmark cases and demonstrates excellent parallel performance. It has unique potential to simulate challenging physical phenomena such as multi-scale solar convection, core convection, and convection in oblate, rapidly-rotating stars. In order to exploit its unique capabilities, the CHORUS code has been extended to perform the first 3D simulations of convection in oblate, rapidly rotating solar-type stars. New insights are obtained with respect to the influence of oblateness on the convective structure and heat flux transport. With the presence of oblateness resulting from the centrifugal force effect, the convective structure in the polar regions decouples from the main convective modes in the equatorial regions. Our convection simulations predict that heat flux peaks in both the polar and equatorial regions, contrary to previous theoretical results that predict darker equators. High latitudinal zonal jets are also observed in the simulations.

Analysis of high-order SNP barcodes in mitochondrial D-loop for chronic dialysis susceptibility.

PubMed

Yang, Cheng-Hong; Lin, Yu-Da; Chuang, Li-Yeh; Chang, Hsueh-Wei

2016-10-01

Positively identifying disease-associated single nucleotide polymorphism (SNP) markers in genome-wide studies entails the complex association analysis of a huge number of SNPs. Such large numbers of SNP barcode (SNP/genotype combinations) continue to pose serious computational challenges, especially for high-dimensional data. We propose a novel exploiting SNP barcode method based on differential evolution, termed IDE (improved differential evolution). IDE uses a "top combination strategy" to improve the ability of differential evolution to explore high-order SNP barcodes in high-dimensional data. We simulate disease data and use real chronic dialysis data to test four global optimization algorithms. In 48 simulated disease models, we show that IDE outperforms existing global optimization algorithms in terms of exploring ability and power to detect the specific SNP/genotype combinations with a maximum difference between cases and controls. In real data, we show that IDE can be used to evaluate the relative effects of each individual SNP on disease susceptibility. IDE generated significant SNP barcode with less computational complexity than the other algorithms, making IDE ideally suited for analysis of high-order SNP barcodes. Copyright © 2016 Elsevier Inc. All rights reserved.

Solar Corona Simulation Model With Positivity-preserving Property

NASA Astrophysics Data System (ADS)

Feng, X. S.

2015-12-01

Positivity-preserving is one of crucial problems in solar corona simulation. In such numerical simulation of low plasma β region, keeping density and pressure is a first of all matter to obtain physical sound solution. In the present paper, we utilize the maximum-principle-preserving flux limiting technique to develop a class of second order positivity-preserving Godunov finite volume HLL methods for the solar wind plasma MHD equations. Based on the underlying first order building block of positivity preserving Lax-Friedrichs, our schemes, under the constrained transport (CT) and generalized Lagrange multiplier (GLM) framework, can achieve high order accuracy, a discrete divergence-free condition and positivity of the numerical solution simultaneously without extra CFL constraints. Numerical results in four Carrington rotation during the declining, rising, minimum and maximum solar activity phases are provided to demonstrate the performance of modeling small plasma beta with positivity-preserving property of the proposed method.

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.

VHDL-AMS modelling and simulation of a planar electrostatic micromotor

NASA Astrophysics Data System (ADS)

Endemaño, A.; Fourniols, J. Y.; Camon, H.; Marchese, A.; Muratet, S.; Bony, F.; Dunnigan, M.; Desmulliez, M. P. Y.; Overton, G.

2003-09-01

System level simulation results of a planar electrostatic micromotor, based on analytical models of the static and dynamic torque behaviours, are presented. A planar variable capacitance (VC) electrostatic micromotor designed, fabricated and tested at LAAS (Toulouse) in 1995 is simulated using the high level language VHDL-AMS (VHSIC (very high speed integrated circuits) hardware description language-analog mixed signal). The analytical torque model is obtained by first calculating the overlaps and capacitances between different electrodes based on a conformal mapping transformation. Capacitance values in the order of 10-16 F and torque values in the order of 10-11 N m have been calculated in agreement with previous measurements and simulations from this type of motor. A dynamic model has been developed for the motor by calculating the inertia coefficient and estimating the friction-coefficient-based values calculated previously for other similar devices. Starting voltage results obtained from experimental measurement are in good agreement with our proposed simulation model. Simulation results of starting voltage values, step response, switching response and continuous operation of the micromotor, based on the dynamic model of the torque, are also presented. Four VHDL-AMS blocks were created, validated and simulated for power supply, excitation control, micromotor torque creation and micromotor dynamics. These blocks can be considered as the initial phase towards the creation of intellectual property (IP) blocks for microsystems in general and electrostatic micromotors in particular.

On simulating flow with multiple time scales using a method of averages

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

Margolin, L.G.

1997-12-31

The author presents a new computational method based on averaging to efficiently simulate certain systems with multiple time scales. He first develops the method in a simple one-dimensional setting and employs linear stability analysis to demonstrate numerical stability. He then extends the method to multidimensional fluid flow. His method of averages does not depend on explicit splitting of the equations nor on modal decomposition. Rather he combines low order and high order algorithms in a generalized predictor-corrector framework. He illustrates the methodology in the context of a shallow fluid approximation to an ocean basin circulation. He finds that his newmore » method reproduces the accuracy of a fully explicit second-order accurate scheme, while costing less than a first-order accurate scheme.« less

A second-order accurate finite volume scheme with the discrete maximum principle for solving Richards’ equation on unstructured meshes

DOE PAGES

Svyatsky, Daniil; Lipnikov, Konstantin

2017-03-18

Richards’s equation describes steady-state or transient flow in a variably saturated medium. For a medium having multiple layers of soils that are not aligned with coordinate axes, a mesh fitted to these layers is no longer orthogonal and the classical two-point flux approximation finite volume scheme is no longer accurate. Here, we propose new second-order accurate nonlinear finite volume (NFV) schemes for the head and pressure formulations of Richards’ equation. We prove that the discrete maximum principles hold for both formulations at steady-state which mimics similar properties of the continuum solution. The second-order accuracy is achieved using high-order upwind algorithmsmore » for the relative permeability. Numerical simulations of water infiltration into a dry soil show significant advantage of the second-order NFV schemes over the first-order NFV schemes even on coarse meshes. Since explicit calculation of the Jacobian matrix becomes prohibitively expensive for high-order schemes due to build-in reconstruction and slope limiting algorithms, we study numerically the preconditioning strategy introduced recently in Lipnikov et al. (2016) that uses a stable approximation of the continuum Jacobian. Lastly, numerical simulations show that the new preconditioner reduces computational cost up to 2–3 times in comparison with the conventional preconditioners.« less

A second-order accurate finite volume scheme with the discrete maximum principle for solving Richards’ equation on unstructured meshes

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

Svyatsky, Daniil; Lipnikov, Konstantin

Richards’s equation describes steady-state or transient flow in a variably saturated medium. For a medium having multiple layers of soils that are not aligned with coordinate axes, a mesh fitted to these layers is no longer orthogonal and the classical two-point flux approximation finite volume scheme is no longer accurate. Here, we propose new second-order accurate nonlinear finite volume (NFV) schemes for the head and pressure formulations of Richards’ equation. We prove that the discrete maximum principles hold for both formulations at steady-state which mimics similar properties of the continuum solution. The second-order accuracy is achieved using high-order upwind algorithmsmore » for the relative permeability. Numerical simulations of water infiltration into a dry soil show significant advantage of the second-order NFV schemes over the first-order NFV schemes even on coarse meshes. Since explicit calculation of the Jacobian matrix becomes prohibitively expensive for high-order schemes due to build-in reconstruction and slope limiting algorithms, we study numerically the preconditioning strategy introduced recently in Lipnikov et al. (2016) that uses a stable approximation of the continuum Jacobian. Lastly, numerical simulations show that the new preconditioner reduces computational cost up to 2–3 times in comparison with the conventional preconditioners.« less

High-Order Ca(II)-Chloro Complexes in Mixed CaCl2-LiCl Aqueous Solution: Insights from Density Functional Theory and Molecular Dynamics Simulations.

PubMed

Wang, Yu-Lin; Wang, Ying; Yi, Hai-Bo

2016-07-21

In this study, the structural characteristics of high-coordinated Ca-Cl complexes present in mixed CaCl2-LiCl aqueous solution were investigated using density functional theory (DFT) and molecular dynamics (MD) simulations. The DFT results show that [CaClx](2-x) (x = 4-6) clusters are quite unstable in the gas phase, but these clusters become metastable when hydration is considered. The MD simulations show that high-coordinated Ca-chloro complexes are possible transient species that exist for up to nanoseconds in concentrated (11.10 mol·kg(-1)) Cl(-) solution at 273 and 298 K. As the temperature increases to 423 K, these high-coordinated structures tend to disassociate and convert into smaller clusters and single free ions. The presence of high-order Ca-Cl species in concentrated LiCl solution can be attributed to their enhanced hydration shell and the inadequate hydration of ions. The probability of the [CaClx](2-x)aq (x = 4-6) species being present in concentrated LiCl solution decreases greatly with increasing temperature, which also indicates that the formation of the high-coordinated Ca-Cl structure is related to its hydration characteristics.

Combination of electromagnetic measurements and FEM simulations for nondestructive determination of mechanical hardness

NASA Astrophysics Data System (ADS)

Gabi, Yasmine; Martins, Olivier; Wolter, Bernd; Strass, Benjamin

2018-04-01

The paper considers the Rockwell hardness investigation by finite element simulation in inspection situation of press hardened parts using the 3MA non-destructive testing system. The FEM model is based on robust strategy calculation which manages the issues of geometry and the time multiscale, as well as the local nonlinear hysteresis behavior of ferromagnetic materials. 3MA simulations are performed at high level operating point in order to saturate the soft microscopic surface soft layer of press hardened steel and access mainly to the bulk properties. 3MA measurements are validated by comparison with numerical simulations. Based on the simulation outputs, a virtual calibration is run. This result constitutes the first validation; the simulated calibration is in agreement with the conventional experimental data. As an outstanding highlight a correlation between magnetic quantities and hardness can be described via FEM simulated signals and shows high accuracy to the measured results.

Evidence for a first-order liquid-liquid transition in high-pressure hydrogen from ab initio simulations.

PubMed

Morales, Miguel A; Pierleoni, Carlo; Schwegler, Eric; Ceperley, D M

2010-07-20

Using quantum simulation techniques based on either density functional theory or quantum Monte Carlo, we find clear evidence of a first-order transition in liquid hydrogen, between a low conductivity molecular state and a high conductivity atomic state. Using the temperature dependence of the discontinuity in the electronic conductivity, we estimate the critical point of the transition at temperatures near 2,000 K and pressures near 120 GPa. Furthermore, we have determined the melting curve of molecular hydrogen up to pressures of 200 GPa, finding a reentrant melting line. The melting line crosses the metalization line at 700 K and 220 GPa using density functional energetics and at 550 K and 290 GPa using quantum Monte Carlo energetics.

Grid Sensitivity Study for Slat Noise Simulations

NASA Technical Reports Server (NTRS)

Lockard, David P.; Choudhari, Meelan M.; Buning, Pieter G.

2014-01-01

The slat noise from the 30P/30N high-lift system is being investigated through computational fluid dynamics simulations in conjunction with a Ffowcs Williams-Hawkings acoustics solver. Many previous simulations have been performed for the configuration, and the case was introduced as a new category for the Second AIAA workshop on Benchmark problems for Airframe Noise Configurations (BANC-II). However, the cost of the simulations has restricted the study of grid resolution effects to a baseline grid and coarser meshes. In the present study, two different approaches are being used to investigate the effect of finer resolution of near-field unsteady structures. First, a standard grid refinement by a factor of two is used, and the calculations are performed by using the same CFL3D solver employed in the majority of the previous simulations. Second, the OVERFLOW code is applied to the baseline grid, but with a 5th-order upwind spatial discretization as compared with the second-order discretization used in the CFL3D simulations. In general, the fine grid CFL3D simulation and OVERFLOW calculation are in very good agreement and exhibit the lowest levels of both surface pressure fluctuations and radiated noise. Although the smaller scales resolved by these simulations increase the velocity fluctuation levels, they appear to mitigate the influence of the larger scales on the surface pressure. These new simulations are used to investigate the influence of the grid on unsteady high-lift simulations and to gain a better understanding of the physics responsible for the noise generation and radiation.

High order volume-preserving algorithms for relativistic charged particles in general electromagnetic fields

NASA Astrophysics Data System (ADS)

He, Yang; Sun, Yajuan; Zhang, Ruili; Wang, Yulei; Liu, Jian; Qin, Hong

2016-09-01

We construct high order symmetric volume-preserving methods for the relativistic dynamics of a charged particle by the splitting technique with processing. By expanding the phase space to include the time t, we give a more general construction of volume-preserving methods that can be applied to systems with time-dependent electromagnetic fields. The newly derived methods provide numerical solutions with good accuracy and conservative properties over long time of simulation. Furthermore, because of the use of an accuracy-enhancing processing technique, the explicit methods obtain high-order accuracy and are more efficient than the methods derived from standard compositions. The results are verified by the numerical experiments. Linear stability analysis of the methods shows that the high order processed method allows larger time step size in numerical integrations.

Earth System Modeling 2.0: A Blueprint for Models That Learn From Observations and Targeted High-Resolution Simulations

NASA Astrophysics Data System (ADS)

Schneider, Tapio; Lan, Shiwei; Stuart, Andrew; Teixeira, João.

2017-12-01

Climate projections continue to be marred by large uncertainties, which originate in processes that need to be parameterized, such as clouds, convection, and ecosystems. But rapid progress is now within reach. New computational tools and methods from data assimilation and machine learning make it possible to integrate global observations and local high-resolution simulations in an Earth system model (ESM) that systematically learns from both and quantifies uncertainties. Here we propose a blueprint for such an ESM. We outline how parameterization schemes can learn from global observations and targeted high-resolution simulations, for example, of clouds and convection, through matching low-order statistics between ESMs, observations, and high-resolution simulations. We illustrate learning algorithms for ESMs with a simple dynamical system that shares characteristics of the climate system; and we discuss the opportunities the proposed framework presents and the challenges that remain to realize it.

Simulation Tools and Techniques for Analyzing the Impacts of Photovoltaic System Integration

NASA Astrophysics Data System (ADS)

Hariri, Ali

Solar photovoltaic (PV) energy integration in distribution networks is one of the fastest growing sectors of distributed energy integration. The growth in solar PV integration is incentivized by various clean power policies, global interest in solar energy, and reduction in manufacturing and installation costs of solar energy systems. The increase in solar PV integration has raised a number of concerns regarding the potential impacts that might arise as a result of high PV penetration. Some impacts have already been recorded in networks with high PV penetration such as in China, Germany, and USA (Hawaii and California). Therefore, network planning is becoming more intricate as new technologies are integrated into the existing electric grid. The integrated new technologies pose certain compatibility concerns regarding the existing electric grid infrastructure. Therefore, PV integration impact studies are becoming more essential in order to have a better understanding of how to advance the solar PV integration efforts without introducing adverse impacts into the network. PV impact studies are important for understanding the nature of the new introduced phenomena. Understanding the nature of the potential impacts is a key factor for mitigating and accommodating for said impacts. Traditionally, electric power utilities relied on phasor-based power flow simulations for planning their electric networks. However, the conventional, commercially available, phasor-based simulation tools do not provide proper visibility across a wide spectrum of electric phenomena. Moreover, different types of simulation approaches are suitable for specific types of studies. For instance, power flow software cannot be used for studying time varying phenomena. At the same time, it is not practical to use electromagnetic transient (EMT) tools to perform power flow solutions. Therefore, some electric phenomena caused by the variability of PV generation are not visible using the conventional utility simulation software. On the other hand, EMT simulation tools provide high accuracy and visibility over a wide bandwidth of frequencies at the expense of larger processing and memory requirements, limited network size, and long simulation time. Therefore, there is a gap in simulation tools and techniques that can efficiently and effectively identify potential PV impact. New planning simulation tools are needed in order to accommodate for the simulation requirements of new integrated technologies in the electric grid. The dissertation at hand starts by identifying some of the potential impacts that are caused by high PV penetration. A phasor-based quasi-static time series (QSTS) analysis tool is developed in order to study the slow dynamics that are caused by the variations in the PV generation that lead to voltage fluctuations. Moreover, some EMT simulations are performed in order to study the impacts of PV systems on the electric network harmonic levels. These studies provide insights into the type and duration of certain impacts, as well as the conditions that may lead to adverse phenomena. In addition these studies present an idea about the type of simulation tools that are sufficient for each type of study. After identifying some of the potential impacts, certain planning tools and techniques are proposed. The potential PV impacts may cause certain utilities to refrain from integrating PV systems into their networks. However, each electric network has a certain limit beyond which the impacts become substantial and may adversely interfere with the system operation and the equipment along the feeder; this limit is referred to as the hosting limit (or hosting capacity). Therefore, it is important for utilities to identify the PV hosting limit on a specific electric network in order to safely and confidently integrate the maximum possible PV systems. In the following dissertation, two approaches have been proposed for identifying the hosing limit: 1. Analytical approach: this is a theoretical mathematical approach that demonstrated the understanding of the fundamentals of electric power system operation. It provides an easy way to estimate the maximum amount of PV power that can be injected at each node in the network. This approach has been tested and validated. 2. Stochastic simulation software approach: this approach provides a comprehensive simulation software that can be used in order to identify the PV hosting limit. The software performs a large number of stochastic simulation while varying the PV system size and location. The collected data is then analyzed for violations in the voltage levels, voltage fluctuations and reverse power flow. (Abstract shortened by ProQuest.).

Reduced-Order Direct Numerical Simulation of Solute Transport in Porous Media

NASA Astrophysics Data System (ADS)

Mehmani, Yashar; Tchelepi, Hamdi

2017-11-01

Pore-scale models are an important tool for analyzing fluid dynamics in porous materials (e.g., rocks, soils, fuel cells). Current direct numerical simulation (DNS) techniques, while very accurate, are computationally prohibitive for sample sizes that are statistically representative of the porous structure. Reduced-order approaches such as pore-network models (PNM) aim to approximate the pore-space geometry and physics to remedy this problem. Predictions from current techniques, however, have not always been successful. This work focuses on single-phase transport of a passive solute under advection-dominated regimes and delineates the minimum set of approximations that consistently produce accurate PNM predictions. Novel network extraction (discretization) and particle simulation techniques are developed and compared to high-fidelity DNS simulations for a wide range of micromodel heterogeneities and a single sphere pack. Moreover, common modeling assumptions in the literature are analyzed and shown that they can lead to first-order errors under advection-dominated regimes. This work has implications for optimizing material design and operations in manufactured (electrodes) and natural (rocks) porous media pertaining to energy systems. This work was supported by the Stanford University Petroleum Research Institute for Reservoir Simulation (SUPRI-B).

Development of cost-effective surfactant flooding technology. Final report

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

Pope, G.A.; Sepehrnoori, K.

1996-11-01

Task 1 of this research was the development of a high-resolution, fully implicit, finite-difference, multiphase, multicomponent, compositional simulator for chemical flooding. The major physical phenomena modeled in this simulator are dispersion, heterogeneous permeability and porosity, adsorption, interfacial tension, relative permeability and capillary desaturation, compositional phase viscosity, compositional phase density and gravity effects, capillary pressure, and aqueous-oleic-microemulsion phase behavior. Polymer and its non-Newtonian rheology properties include shear-thinning viscosity, permeability reduction, inaccessible pore volume, and adsorption. Options of constant or variable space grids and time steps, constant-pressure or constant-rate well conditions, horizontal and vertical wells, and multiple slug injections are also availablemore » in the simulator. The solution scheme used in this simulator is fully implicit. The pressure equation and the mass-conservation equations are solved simultaneously for the aqueous-phase pressure and the total concentrations of each component. A third-order-in-space, second-order-in-time finite-difference method and a new total-variation-diminishing (TVD) third-order flux limiter are used that greatly reduce numerical dispersion effects. Task 2 was the optimization of surfactant flooding. The code UTCHEM was used to simulate surfactant polymer flooding.« less

Low-Dissipation Advection Schemes Designed for Large Eddy Simulations of Hypersonic Propulsion Systems

NASA Technical Reports Server (NTRS)

White, Jeffrey A.; Baurle, Robert A.; Fisher, Travis C.; Quinlan, Jesse R.; Black, William S.

2012-01-01

The 2nd-order upwind inviscid flux scheme implemented in the multi-block, structured grid, cell centered, finite volume, high-speed reacting flow code VULCAN has been modified to reduce numerical dissipation. This modification was motivated by the desire to improve the codes ability to perform large eddy simulations. The reduction in dissipation was accomplished through a hybridization of non-dissipative and dissipative discontinuity-capturing advection schemes that reduces numerical dissipation while maintaining the ability to capture shocks. A methodology for constructing hybrid-advection schemes that blends nondissipative fluxes consisting of linear combinations of divergence and product rule forms discretized using 4th-order symmetric operators, with dissipative, 3rd or 4th-order reconstruction based upwind flux schemes was developed and implemented. A series of benchmark problems with increasing spatial and fluid dynamical complexity were utilized to examine the ability of the candidate schemes to resolve and propagate structures typical of turbulent flow, their discontinuity capturing capability and their robustness. A realistic geometry typical of a high-speed propulsion system flowpath was computed using the most promising of the examined schemes and was compared with available experimental data to demonstrate simulation fidelity.

Fundamental aspects of the structural and electrolyte properties of Li2OHCl from simulations and experiment

NASA Astrophysics Data System (ADS)

Howard, Jason; Hood, Zachary D.; Holzwarth, N. A. W.

2017-12-01

Solid-state electrolytes that are compatible with high-capacity electrodes are expected to enable the next generation of batteries. As a promising example, Li2OHCl was reported to have good ionic conductivity and to be compatible with a lithium metal anode even at temperatures above 100 ∘C . In this work, we explore the fundamental properties of Li2OHCl by comparing simulations and experiments. Using calculations based on density functional theory, including both static and dynamic contributions through the quasiharmonic approximation, we model a tetragonal ground state, which is not observed experimentally. An ordered orthorhombic low-temperature phase was also simulated, agreeing with experimental structural analysis of the pristine electrolyte at room temperature. In addition, comparison of the ordered structures with simulations of the disordered cubic phase provide insight into the mechanisms associated with the experimentally observed abrupt increase in ionic conductivity as the system changes from its ordered orthorhombic to its disordered cubic phase. A large Haven ratio for the disordered cubic phase is inferred from the computed tracer diffusion coefficient and measured ionic conductivity, suggesting highly correlated motions of the mobile Li ions in the cubic phase of Li2OHCl . We find that the OH bond orientations participate in gating the Li ion motions which might partially explain the predicted Li-Li correlations.

High-order harmonic generation in solid slabs beyond the single-active-electron approximation

NASA Astrophysics Data System (ADS)

Hansen, Kenneth K.; Deffge, Tobias; Bauer, Dieter

2017-11-01

High-harmonic generation by a laser-driven solid slab is simulated using time-dependent density functional theory. Multiple harmonic plateaus up to very high harmonic orders are observed already at surprisingly low field strengths. The full all-electron harmonic spectra are, in general, very different from those of any individual Kohn-Sham orbital. Freezing the Kohn-Sham potential instead is found to be a good approximation for the laser intensities and harmonic orders considered. The origins of the plateau cutoffs are explained in terms of band gaps that can be reached by Kohn-Sham electrons and holes moving through the band structure.

Uniform high order spectral methods for one and two dimensional Euler equations

NASA Technical Reports Server (NTRS)

Cai, Wei; Shu, Chi-Wang

1991-01-01

Uniform high order spectral methods to solve multi-dimensional Euler equations for gas dynamics are discussed. Uniform high order spectral approximations with spectral accuracy in smooth regions of solutions are constructed by introducing the idea of the Essentially Non-Oscillatory (ENO) polynomial interpolations into the spectral methods. The authors present numerical results for the inviscid Burgers' equation, and for the one dimensional Euler equations including the interactions between a shock wave and density disturbance, Sod's and Lax's shock tube problems, and the blast wave problem. The interaction between a Mach 3 two dimensional shock wave and a rotating vortex is simulated.

Dynamic accommodation with simulated targets blurred with high order aberrations

PubMed Central

Gambra, Enrique; Wang, Yinan; Yuan, Jing; Kruger, Philip B.; Marcos, Susana

2010-01-01

High order aberrations have been suggested to play a role in determining the direction of accommodation. We have explored the effect of retinal blur induced by high order aberrations on dynamic accommodation by measuring the accommodative response to sinusoidal variations in accommodative demand (1–3 D). The targets were blurred with 0.3 and 1 μm (for a 3-mm pupil) of defocus, coma, trefoil and spherical aberration. Accommodative gain decreased significantly when 1-μm of aberration was induced. We found a strong correlation between the relative accommodative gain (and phase lag) and the contrast degradation imposed on the target at relevant spatial frequencies. PMID:20600230

Generation of high-order Bessel vortex beam carrying orbital angular momentum using multilayer amplitude-phase-modulated surfaces in radiofrequency domain

NASA Astrophysics Data System (ADS)

Kou, Na; Yu, Shixing; Li, Long

2017-01-01

A high-order Bessel vortex beam carrying orbital angular momentum (OAM) is generated by using multilayer amplitude-phase-modulated surfaces (APMSs) at 10 GHz. The APMS transmitarray is composed of four-layer conformal square-loop (FCSL) surfaces with both amplitude and phase modulation. The APMS can transform a quasi-spherical wave emitted from the feeding source into a pseudo non-diffractive high-order Bessel vortex beam with OAM. The APMS for a second-order Bessel beam carrying OAM in the n = 2 mode is designed, fabricated, and measured. Full-wave simulation and measurement results confirm that Bessel vortex beams with OAM can be effectively generated using the proposed APMS transmitarray.

Extending the high-order-harmonic spectrum using surface plasmon polaritons

NASA Astrophysics Data System (ADS)

Ebadian, H.; Mohebbi, M.

2017-08-01

Nanoparticle assisted high-order-harmonic generation by low-intensity ultrashort laser pulses in hydrogen atomic gas is studied. This work is based on surface plasmon-polariton coupling in metal-insulator-metal structures. The necessary laser intensity is provided by enhancement of the incident laser power in the vicinity of bowtie nanoparticles installed on an insulator-metal structure. The inhomogeneous electric field distribution in the Au nanobowtie gap region is investigated. Simulations show that the insulator layer installed on the Au metal film that supports the plasmon-polariton interactions has a dramatic effect on the field enhancement factor. High-order-harmonic generation cutoffs for different arrangements are calculated and results show that the metal-insulator-metal structure is an excellent device for high-order-harmonic generation purposes. Also, the harmonic cutoff order is extended to more than 170, which is a considerable value and will be an efficient source for extreme ultraviolet radiation.

Stripe order in the underdoped region of the two-dimensional Hubbard model

NASA Astrophysics Data System (ADS)

Zheng, Bo-Xiao; Chung, Chia-Min; Corboz, Philippe; Ehlers, Georg; Qin, Ming-Pu; Noack, Reinhard M.; Shi, Hao; White, Steven R.; Zhang, Shiwei; Chan, Garnet Kin-Lic

2017-12-01

Competing inhomogeneous orders are a central feature of correlated electron materials, including the high-temperature superconductors. The two-dimensional Hubbard model serves as the canonical microscopic physical model for such systems. Multiple orders have been proposed in the underdoped part of the phase diagram, which corresponds to a regime of maximum numerical difficulty. By combining the latest numerical methods in exhaustive simulations, we uncover the ordering in the underdoped ground state. We find a stripe order that has a highly compressible wavelength on an energy scale of a few kelvin, with wavelength fluctuations coupled to pairing order. The favored filled stripe order is different from that seen in real materials. Our results demonstrate the power of modern numerical methods to solve microscopic models, even in challenging settings.

Simulations and measurements of beam loss patterns at the CERN Large Hadron Collider

NASA Astrophysics Data System (ADS)

Bruce, R.; Assmann, R. W.; Boccone, V.; Bracco, C.; Brugger, M.; Cauchi, M.; Cerutti, F.; Deboy, D.; Ferrari, A.; Lari, L.; Marsili, A.; Mereghetti, A.; Mirarchi, D.; Quaranta, E.; Redaelli, S.; Robert-Demolaize, G.; Rossi, A.; Salvachua, B.; Skordis, E.; Tambasco, C.; Valentino, G.; Weiler, T.; Vlachoudis, V.; Wollmann, D.

2014-08-01

The CERN Large Hadron Collider (LHC) is designed to collide proton beams of unprecedented energy, in order to extend the frontiers of high-energy particle physics. During the first very successful running period in 2010-2013, the LHC was routinely storing protons at 3.5-4 TeV with a total beam energy of up to 146 MJ, and even higher stored energies are foreseen in the future. This puts extraordinary demands on the control of beam losses. An uncontrolled loss of even a tiny fraction of the beam could cause a superconducting magnet to undergo a transition into a normal-conducting state, or in the worst case cause material damage. Hence a multistage collimation system has been installed in order to safely intercept high-amplitude beam protons before they are lost elsewhere. To guarantee adequate protection from the collimators, a detailed theoretical understanding is needed. This article presents results of numerical simulations of the distribution of beam losses around the LHC that have leaked out of the collimation system. The studies include tracking of protons through the fields of more than 5000 magnets in the 27 km LHC ring over hundreds of revolutions, and Monte Carlo simulations of particle-matter interactions both in collimators and machine elements being hit by escaping particles. The simulation results agree typically within a factor 2 with measurements of beam loss distributions from the previous LHC run. Considering the complex simulation, which must account for a very large number of unknown imperfections, and in view of the total losses around the ring spanning over 7 orders of magnitude, we consider this an excellent agreement. Our results give confidence in the simulation tools, which are used also for the design of future accelerators.

Enabling parallel simulation of large-scale HPC network systems

DOE PAGES

Mubarak, Misbah; Carothers, Christopher D.; Ross, Robert B.; ...

2016-04-07

Here, with the increasing complexity of today’s high-performance computing (HPC) architectures, simulation has become an indispensable tool for exploring the design space of HPC systems—in particular, networks. In order to make effective design decisions, simulations of these systems must possess the following properties: (1) have high accuracy and fidelity, (2) produce results in a timely manner, and (3) be able to analyze a broad range of network workloads. Most state-of-the-art HPC network simulation frameworks, however, are constrained in one or more of these areas. In this work, we present a simulation framework for modeling two important classes of networks usedmore » in today’s IBM and Cray supercomputers: torus and dragonfly networks. We use the Co-Design of Multi-layer Exascale Storage Architecture (CODES) simulation framework to simulate these network topologies at a flit-level detail using the Rensselaer Optimistic Simulation System (ROSS) for parallel discrete-event simulation. Our simulation framework meets all the requirements of a practical network simulation and can assist network designers in design space exploration. First, it uses validated and detailed flit-level network models to provide an accurate and high-fidelity network simulation. Second, instead of relying on serial time-stepped or traditional conservative discrete-event simulations that limit simulation scalability and efficiency, we use the optimistic event-scheduling capability of ROSS to achieve efficient and scalable HPC network simulations on today’s high-performance cluster systems. Third, our models give network designers a choice in simulating a broad range of network workloads, including HPC application workloads using detailed network traces, an ability that is rarely offered in parallel with high-fidelity network simulations« less

Enabling parallel simulation of large-scale HPC network systems

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

Mubarak, Misbah; Carothers, Christopher D.; Ross, Robert B.

Here, with the increasing complexity of today’s high-performance computing (HPC) architectures, simulation has become an indispensable tool for exploring the design space of HPC systems—in particular, networks. In order to make effective design decisions, simulations of these systems must possess the following properties: (1) have high accuracy and fidelity, (2) produce results in a timely manner, and (3) be able to analyze a broad range of network workloads. Most state-of-the-art HPC network simulation frameworks, however, are constrained in one or more of these areas. In this work, we present a simulation framework for modeling two important classes of networks usedmore » in today’s IBM and Cray supercomputers: torus and dragonfly networks. We use the Co-Design of Multi-layer Exascale Storage Architecture (CODES) simulation framework to simulate these network topologies at a flit-level detail using the Rensselaer Optimistic Simulation System (ROSS) for parallel discrete-event simulation. Our simulation framework meets all the requirements of a practical network simulation and can assist network designers in design space exploration. First, it uses validated and detailed flit-level network models to provide an accurate and high-fidelity network simulation. Second, instead of relying on serial time-stepped or traditional conservative discrete-event simulations that limit simulation scalability and efficiency, we use the optimistic event-scheduling capability of ROSS to achieve efficient and scalable HPC network simulations on today’s high-performance cluster systems. Third, our models give network designers a choice in simulating a broad range of network workloads, including HPC application workloads using detailed network traces, an ability that is rarely offered in parallel with high-fidelity network simulations« less

Parallel Adjective High-Order CFD Simulations Characterizing SOFIA Cavity Acoustics

NASA Technical Reports Server (NTRS)

Barad, Michael F.; Brehm, Christoph; Kiris, Cetin C.; Biswas, Rupak

2016-01-01

This paper presents large-scale MPI-parallel computational uid dynamics simulations for the Stratospheric Observatory for Infrared Astronomy (SOFIA). SOFIA is an airborne, 2.5-meter infrared telescope mounted in an open cavity in the aft fuselage of a Boeing 747SP. These simulations focus on how the unsteady ow eld inside and over the cavity interferes with the optical path and mounting structure of the telescope. A temporally fourth-order accurate Runge-Kutta, and spatially fth-order accurate WENO- 5Z scheme was used to perform implicit large eddy simulations. An immersed boundary method provides automated gridding for complex geometries and natural coupling to a block-structured Cartesian adaptive mesh re nement framework. Strong scaling studies using NASA's Pleiades supercomputer with up to 32k CPU cores and 4 billion compu- tational cells shows excellent scaling. Dynamic load balancing based on execution time on individual AMR blocks addresses irregular numerical cost associated with blocks con- taining boundaries. Limits to scaling beyond 32k cores are identi ed, and targeted code optimizations are discussed.

Parallel Adaptive High-Order CFD Simulations Characterizing SOFIA Cavitiy Acoustics

NASA Technical Reports Server (NTRS)

Barad, Michael F.; Brehm, Christoph; Kiris, Cetin C.; Biswas, Rupak

2015-01-01

This paper presents large-scale MPI-parallel computational uid dynamics simulations for the Stratospheric Observatory for Infrared Astronomy (SOFIA). SOFIA is an airborne, 2.5-meter infrared telescope mounted in an open cavity in the aft fuselage of a Boeing 747SP. These simulations focus on how the unsteady ow eld inside and over the cavity interferes with the optical path and mounting structure of the telescope. A tempo- rally fourth-order accurate Runge-Kutta, and a spatially fth-order accurate WENO-5Z scheme were used to perform implicit large eddy simulations. An immersed boundary method provides automated gridding for complex geometries and natural coupling to a block-structured Cartesian adaptive mesh re nement framework. Strong scaling studies using NASA's Pleiades supercomputer with up to 32k CPU cores and 4 billion compu- tational cells shows excellent scaling. Dynamic load balancing based on execution time on individual AMR blocks addresses irregular numerical cost associated with blocks con- taining boundaries. Limits to scaling beyond 32k cores are identi ed, and targeted code optimizations are discussed.

Grace: A cross-platform micromagnetic simulator on graphics processing units

NASA Astrophysics Data System (ADS)

Zhu, Ru

2015-12-01

A micromagnetic simulator running on graphics processing units (GPUs) is presented. Different from GPU implementations of other research groups which are predominantly running on NVidia's CUDA platform, this simulator is developed with C++ Accelerated Massive Parallelism (C++ AMP) and is hardware platform independent. It runs on GPUs from venders including NVidia, AMD and Intel, and achieves significant performance boost as compared to previous central processing unit (CPU) simulators, up to two orders of magnitude. The simulator paved the way for running large size micromagnetic simulations on both high-end workstations with dedicated graphics cards and low-end personal computers with integrated graphics cards, and is freely available to download.

Learning Outcomes from Business Simulation Exercises: Challenges for the Implementation of Learning Technologies

ERIC Educational Resources Information Center

Clarke, Elizabeth

2009-01-01

Purpose: High order leadership, problem solving skills, and the capacity for innovation in new markets, and technologically complex and multidimensional contexts, are the new set of skills that are most valued by companies and employers alike. Business simulation exercises are one way of enhancing these skills. This article aims to examine the…

Simulation: The Effects of Simulation on High Stakes Testing in Undergradute Nursing Education

ERIC Educational Resources Information Center

Walters, Linda

2014-01-01

Many nursing programs use standardized testing packages in order to evaluate students' content mastery as well as predict probability of passing the National Council Licensure for Registered Nurses (NCLEX-RN). Instead of a diagnosis for weak content areas, programs implement testing policies in the belief that such policies ensure student success…

MHD simulation of transition process from the magneto-rotational instability to magnetic turbulence by using a high-order MHD simulation scheme

NASA Astrophysics Data System (ADS)

Hirai, K.; Katoh, Y.; Terada, N.; Kawai, S.

2016-12-01

In accretion disks, magneto-rotational instability (MRI; Balbus & Hawley, 1991) makes the disk gas in the magnetic turbulent state and drives efficient mass accretion into a central star. MRI drives turbulence through the evolution of the parasitic instability (PI; Goodman & Xu, 1994), which is related to both Kelvin-Helmholtz (K-H) instability and magnetic reconnection. The wave number vector of PI is strongly affected by both magnetic diffusivity and fluid viscosity (Pessah, 2010). This fact makes MHD simulation of MRI difficult, because we need to employ the numerical diffusivity for treating discontinuities in compressible MHD simulation schemes. Therefore, it is necessary to use an MHD scheme that has both high-order accuracy so as to resolve MRI driven turbulence and small numerical diffusivity enough to treat discontinuities. We have originally developed an MHD code by employing the scheme proposed by Kawai (2013). This scheme focuses on resolving turbulence accurately by using a high-order compact difference scheme (Lele, 1992), and meanwhile, the scheme treats discontinuities by using the localized artificial diffusivity method (Kawai, 2013). Our code also employs the pipeline algorithm (Matsuura & Kato, 2007) for MPI parallelization without diminishing the accuracy of the compact difference scheme. We carry out a 3-dimensional ideal MHD simulation with a net vertical magnetic field in the local shearing box disk model. We use 256x256x128 grids. Simulation results show that the spatially averaged turbulent stress induced by MRI linearly grows until around 2.8 orbital periods, and decreases after the saturation. We confirm the strong enhancement of the K-H mode PI at a timing just before the saturation, identified by the enhancement of its anisotropic wavenumber spectra in the 2-dimensional wavenumber space. The wave number of the maximum growth of PI reproduced in the simulation result is larger than the linear analysis. This discrepancy is explained by the simulation result that a shear flow created by MRI locally becomes thinner and faster due to interactions between antiparallel vortices induced by K-H mode PI, and this structure induces small scale waves which break the shear flow itself. We report the results of the simulation, and discuss how the saturation amplitude of MRI is determined.

Nanophotonic particle simulation and inverse design using artificial neural networks

PubMed Central

Peurifoy, John; Shen, Yichen; Jing, Li; Cano-Renteria, Fidel; DeLacy, Brendan G.; Joannopoulos, John D.; Tegmark, Max

2018-01-01

We propose a method to use artificial neural networks to approximate light scattering by multilayer nanoparticles. We find that the network needs to be trained on only a small sampling of the data to approximate the simulation to high precision. Once the neural network is trained, it can simulate such optical processes orders of magnitude faster than conventional simulations. Furthermore, the trained neural network can be used to solve nanophotonic inverse design problems by using back propagation, where the gradient is analytical, not numerical. PMID:29868640

Identification of Low Order Equivalent System Models From Flight Test Data

NASA Technical Reports Server (NTRS)

Morelli, Eugene A.

2000-01-01

Identification of low order equivalent system dynamic models from flight test data was studied. Inputs were pilot control deflections, and outputs were aircraft responses, so the models characterized the total aircraft response including bare airframe and flight control system. Theoretical investigations were conducted and related to results found in the literature. Low order equivalent system modeling techniques using output error and equation error parameter estimation in the frequency domain were developed and validated on simulation data. It was found that some common difficulties encountered in identifying closed loop low order equivalent system models from flight test data could be overcome using the developed techniques. Implications for data requirements and experiment design were discussed. The developed methods were demonstrated using realistic simulation cases, then applied to closed loop flight test data from the NASA F-18 High Alpha Research Vehicle.

Multiple-correction hybrid k-exact schemes for high-order compressible RANS-LES simulations on fully unstructured grids

NASA Astrophysics Data System (ADS)

Pont, Grégoire; Brenner, Pierre; Cinnella, Paola; Maugars, Bruno; Robinet, Jean-Christophe

2017-12-01

A Godunov's type unstructured finite volume method suitable for highly compressible turbulent scale-resolving simulations around complex geometries is constructed by using a successive correction technique. First, a family of k-exact Godunov schemes is developed by recursively correcting the truncation error of the piecewise polynomial representation of the primitive variables. The keystone of the proposed approach is a quasi-Green gradient operator which ensures consistency on general meshes. In addition, a high-order single-point quadrature formula, based on high-order approximations of the successive derivatives of the solution, is developed for flux integration along cell faces. The proposed family of schemes is compact in the algorithmic sense, since it only involves communications between direct neighbors of the mesh cells. The numerical properties of the schemes up to fifth-order are investigated, with focus on their resolvability in terms of number of mesh points required to resolve a given wavelength accurately. Afterwards, in the aim of achieving the best possible trade-off between accuracy, computational cost and robustness in view of industrial flow computations, we focus more specifically on the third-order accurate scheme of the family, and modify locally its numerical flux in order to reduce the amount of numerical dissipation in vortex-dominated regions. This is achieved by switching from the upwind scheme, mostly applied in highly compressible regions, to a fourth-order centered one in vortex-dominated regions. An analytical switch function based on the local grid Reynolds number is adopted in order to warrant numerical stability of the recentering process. Numerical applications demonstrate the accuracy and robustness of the proposed methodology for compressible scale-resolving computations. In particular, supersonic RANS/LES computations of the flow over a cavity are presented to show the capability of the scheme to predict flows with shocks, vortical structures and complex geometries.

Simulation study on beam loss in the alpha bucket regime during SIS-100 proton operation

NASA Astrophysics Data System (ADS)

Sorge, S.

2018-02-01

Crossing the transition energy γt in synchrotrons for high intensity proton beams requires well tuned jump schemes and is usually accompanied by longitudinal emittance growth. In order to avoid γt crossing during proton operation in the projected SIS-100 synchrotron special high-γt lattice settings have been developed, in order to keep γt above the beam extraction energy. A further advantage of this scheme is the formation of alpha buckets which naturally lead to short proton bunches, required for the foreseen production and storage of antiprotons for the FAIR facility. Special attention is turned on the imperfections of the superconducting SIS-100 magnets because together with the high-γt lattice settings, they could potentially lead to enhanced beam loss. The aim of the present work is to estimate the beam loss by means of particle tracking simulations.

A Petascale Non-Hydrostatic Atmospheric Dynamical Core in the HOMME Framework

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

Tufo, Henry

The High-Order Method Modeling Environment (HOMME) is a framework for building scalable, conserva- tive atmospheric models for climate simulation and general atmospheric-modeling applications. Its spatial discretizations are based on Spectral-Element (SE) and Discontinuous Galerkin (DG) methods. These are local methods employing high-order accurate spectral basis-functions that have been shown to perform well on massively parallel supercomputers at any resolution and scale particularly well at high resolutions. HOMME provides the framework upon which the CAM-SE community atmosphere model dynamical-core is constructed. In its current incarnation, CAM-SE employs the hydrostatic primitive-equations (PE) of motion, which limits its resolution to simulations coarser thanmore » 0.1 per grid cell. The primary objective of this project is to remove this resolution limitation by providing HOMME with the capabilities needed to build nonhydrostatic models that solve the compressible Euler/Navier-Stokes equations.« less

Validation results of satellite mock-up capturing experiment using nets

NASA Astrophysics Data System (ADS)

Medina, Alberto; Cercós, Lorenzo; Stefanescu, Raluca M.; Benvenuto, Riccardo; Pesce, Vincenzo; Marcon, Marco; Lavagna, Michèle; González, Iván; Rodríguez López, Nuria; Wormnes, Kjetil

2017-05-01

The PATENDER activity (Net parametric characterization and parabolic flight), funded by the European Space Agency (ESA) via its Clean Space initiative, was aiming to validate a simulation tool for designing nets for capturing space debris. This validation has been performed through a set of different experiments under microgravity conditions where a net was launched capturing and wrapping a satellite mock-up. This paper presents the architecture of the thrown-net dynamics simulator together with the set-up of the deployment experiment and its trajectory reconstruction results on a parabolic flight (Novespace A-310, June 2015). The simulator has been implemented within the Blender framework in order to provide a highly configurable tool, able to reproduce different scenarios for Active Debris Removal missions. The experiment has been performed over thirty parabolas offering around 22 s of zero-g conditions. Flexible meshed fabric structure (the net) ejected from a container and propelled by corner masses (the bullets) arranged around its circumference have been launched at different initial velocities and launching angles using a pneumatic-based dedicated mechanism (representing the chaser satellite) against a target mock-up (the target satellite). High-speed motion cameras were recording the experiment allowing 3D reconstruction of the net motion. The net knots have been coloured to allow the images post-process using colour segmentation, stereo matching and iterative closest point (ICP) for knots tracking. The final objective of the activity was the validation of the net deployment and wrapping simulator using images recorded during the parabolic flight. The high-resolution images acquired have been post-processed to determine accurately the initial conditions and generate the reference data (position and velocity of all knots of the net along its deployment and wrapping of the target mock-up) for the simulator validation. The simulator has been properly configured according to the parabolic flight scenario, and executed in order to generate the validation data. Both datasets have been compared according to different metrics in order to perform the validation of the PATENDER simulator.

Dynamics of Nonlinear Excitation of the High-Order Mode in a Single-Mode Step-Index Optical Fiber

NASA Astrophysics Data System (ADS)

Burdin, V.; Bourdine, A.

2018-04-01

This work is concerned with approximate model of higher-order mode nonlinear excitation in a singlemode silica optical fiber. We present some results of simulation for step-index optical fiber under femtosecond optical pulse launching, which confirm ability of relatively stable higher-order mode excitation in such singlemode optical fiber over sufficiently narrow range of launched optical power variation.

High Resolution Regional Climate Simulations over Alaska

NASA Astrophysics Data System (ADS)

Monaghan, A. J.; Clark, M. P.; Arnold, J.; Newman, A. J.; Musselman, K. N.; Barlage, M. J.; Xue, L.; Liu, C.; Gutmann, E. D.; Rasmussen, R.

2016-12-01

In order to appropriately plan future projects to build and maintain infrastructure (e.g., dams, dikes, highways, airports), a number of U.S. federal agencies seek to better understand how hydrologic regimes may shift across the country due to climate change. Building on the successful completion of a series of high-resolution WRF simulations over the Colorado River Headwaters and contiguous USA, our team is now extending these simulations over the challenging U.S. States of Alaska and Hawaii. In this presentation we summarize results from a newly completed 4-km resolution WRF simulation over Alaska spanning 2002-2016 at 4-km spatial resolution. Our aim is to gain insight into the thermodynamics that drive key precipitation processes, particularly the extremes that are most damaging to infrastructure.

Towards Automatic Processing of Virtual City Models for Simulations

NASA Astrophysics Data System (ADS)

Piepereit, R.; Schilling, A.; Alam, N.; Wewetzer, M.; Pries, M.; Coors, V.

2016-10-01

Especially in the field of numerical simulations, such as flow and acoustic simulations, the interest in using virtual 3D models to optimize urban systems is increasing. The few instances in which simulations were already carried out in practice have been associated with an extremely high manual and therefore uneconomical effort for the processing of models. Using different ways of capturing models in Geographic Information System (GIS) and Computer Aided Engineering (CAE), increases the already very high complexity of the processing. To obtain virtual 3D models suitable for simulation, we developed a tool for automatic processing with the goal to establish ties between the world of GIS and CAE. In this paper we introduce a way to use Coons surfaces for the automatic processing of building models in LoD2, and investigate ways to simplify LoD3 models in order to reduce unnecessary information for a numerical simulation.

Simulation of the Tsunami Resulting from the M 9.2 2004 Sumatra-Andaman Earthquake - Dynamic Rupture vs. Seismic Inversion Source Model

NASA Astrophysics Data System (ADS)

Vater, Stefan; Behrens, Jörn

2017-04-01

Simulations of historic tsunami events such as the 2004 Sumatra or the 2011 Tohoku event are usually initialized using earthquake sources resulting from inversion of seismic data. Also, other data from ocean buoys etc. is sometimes included in the derivation of the source model. The associated tsunami event can often be well simulated in this way, and the results show high correlation with measured data. However, it is unclear how the derived source model compares to the particular earthquake event. In this study we use the results from dynamic rupture simulations obtained with SeisSol, a software package based on an ADER-DG discretization solving the spontaneous dynamic earthquake rupture problem with high-order accuracy in space and time. The tsunami model is based on a second-order Runge-Kutta discontinuous Galerkin (RKDG) scheme on triangular grids and features a robust wetting and drying scheme for the simulation of inundation events at the coast. Adaptive mesh refinement enables the efficient computation of large domains, while at the same time it allows for high local resolution and geometric accuracy. The results are compared to measured data and results using earthquake sources based on inversion. With the approach of using the output of actual dynamic rupture simulations, we can estimate the influence of different earthquake parameters. Furthermore, the comparison to other source models enables a thorough comparison and validation of important tsunami parameters, such as the runup at the coast. This work is part of the ASCETE (Advanced Simulation of Coupled Earthquake and Tsunami Events) project, which aims at an improved understanding of the coupling between the earthquake and the generated tsunami event.

On predicting contamination levels of HALOE optics aboard UARS using direct simulation Monte Carlo

NASA Technical Reports Server (NTRS)

Woronowicz, Michael S.; Rault, Didier F. G.

1993-01-01

A three-dimensional version of the direct simulation Monte Carlo method is adapted to assess the contamination environment surrounding a highly detailed model of the Upper Atmosphere Research Satellite. Emphasis is placed on simulating a realistic, worst-case set of flowfield and surface conditions and geometric orientations in order to estimate an upper limit for the cumulative level of volatile organic molecular deposits at the aperture of the Halogen Occultation Experiment. Problems resolving species outgassing and vent flux rates that varied over many orders of magnitude were handled using species weighting factors. Results relating to contaminant cloud structure, cloud composition, and statistics of simulated molecules impinging on the target surface are presented, along with data related to code performance. Using procedures developed in standard contamination analyses, the cumulative level of volatile organic deposits on HALOE's aperture over the instrument's 35-month nominal data collection period is estimated to be about 2700A.

Non-equilibrium Numerical Analysis of Microwave-supported Detonation Threshold Propagating through Diatomic Gas

NASA Astrophysics Data System (ADS)

Shiraishi, Hiroyuki

2015-09-01

Microwave-supported Detonation (MSD), one type of Microwave-supported Plasma (MSP), is considered as one of the most important phenomena because it can generate high pressure and high temperature for beam-powered space propulsion systems. In this study, I numerically simulate MSD waves propagating through a diatomic gas. In order to evaluate the threshold of beam intensity, I use the physical-fluid dynamics scheme, which has been developed for simulating unsteady and non-equilibrium LSD waves propagating through a hydrogen gas.

DNS/LES Simulations of Separated Flows at High Reynolds Numbers

NASA Technical Reports Server (NTRS)

Balakumar, P.

2015-01-01

Direct numerical simulations (DNS) and large-eddy simulations (LES) simulations of flow through a periodic channel with a constriction are performed using the dynamic Smagorinsky model at two Reynolds numbers of 2800 and 10595. The LES equations are solved using higher order compact schemes. DNS are performed for the lower Reynolds number case using a fine grid and the data are used to validate the LES results obtained with a coarse and a medium size grid. LES simulations are also performed for the higher Reynolds number case using a coarse and a medium size grid. The results are compared with an existing reference data set. The DNS and LES results agreed well with the reference data. Reynolds stresses, sub-grid eddy viscosity, and the budgets for the turbulent kinetic energy are also presented. It is found that the turbulent fluctuations in the normal and spanwise directions have the same magnitude. The turbulent kinetic energy budget shows that the production peaks near the separation point region and the production to dissipation ratio is very high on the order of five in this region. It is also observed that the production is balanced by the advection, diffusion, and dissipation in the shear layer region. The dominant term is the turbulent diffusion that is about two times the molecular dissipation.

Peculiarities of Vibration Characteristics of Amorphous Ices

NASA Astrophysics Data System (ADS)

Gets, Kirill V.; Subbotin, Oleg S.; Belosludov, Vladimir R.

2012-03-01

Dynamic properties of low (LDA), high (HDA) and very high (VHDA) density amorphous ices were investigated within the approach based on Lattice Dynamics simulations. In this approach, we assume that the short-range molecular order mainly determines the dynamic and thermodynamic properties of amorphous ices. Simulation cell of 512 water molecules with periodical boundary conditions and disordering allows us to study dynamical properties and dispersion curves in the Brillouin zone of pseudo-crystal. Existence of collective phenomena in amorphous ices which is usual for crystals but anomalous for disordered phase was confirmed in our simulations. Molecule amplitudes of delocalized (collective) as well as localized vibrations have been considered.

Simulating Bilayers of Nonionic Surfactants with the GROMOS-Compatible 2016H66 Force Field.

PubMed

Senac, Caroline; Urbach, Wladimir; Kurtisovski, Erol; Hünenberger, Philippe H; Horta, Bruno A C; Taulier, Nicolas; Fuchs, Patrick F J

2017-10-03

Polyoxyethylene glycol alkyl ether amphiphiles (C i E j ) are important nonionic surfactants, often used for biophysical and membrane protein studies. In this work, we extensively test the GROMOS-compatible 2016H66 force field in molecular dynamics simulations involving the lamellar phase of a series of C i E j surfactants, namely C 12 E 2 , C 12 E 3 , C 12 E 4 , C 12 E 5 , and C 14 E 4 . The simulations reproduce qualitatively well the monitored structural properties and their experimental trends along the surfactant series, although some discrepancies remain, in particular in terms of the area per surfactant, the equilibrium phase of C 12 E 5 , and the order parameters of C 12 E 3 , C 12 E 4 , and C 12 E 5 . The polar head of the C i E j surfactants is highly hydrated, almost like a single polyethyleneoxide (PEO) molecule at full hydration, resulting in very compact conformations. Within the bilayer, all C i E j surfactants flip-flop spontaneously within tens of nanoseconds. Water-permeation is facilitated, and the bending rigidity is 4 to 5 times lower than that of typical phospholipid bilayers. In line with another recent theoretical study, the simulations show that the lamellar phase of C i E j contains large hydrophilic pores. These pores should be abundant in order to reproduce the comparatively low NMR order parameters. We show that their contour length is directly correlated to the order parameters, and we estimate that they should occupy approximately 7-10% of the total membrane area. Due to their highly dynamic nature (rapid flip-flops, high water permeability, observed pore formation), C i E j surfactant bilayers are found to represent surprisingly challenging systems in terms of modeling. Given this difficulty, the results presented here show that the 2016H66 parameters, optimized independently considering pure-liquid as well as polar and nonpolar solvation properties of small organic molecules, represent a good starting point for simulating these systems.

Evidence for a first-order liquid-liquid transition in high-pressure hydrogen from ab initio simulations

PubMed Central

Morales, Miguel A.; Pierleoni, Carlo; Schwegler, Eric; Ceperley, D. M.

2010-01-01

Using quantum simulation techniques based on either density functional theory or quantum Monte Carlo, we find clear evidence of a first-order transition in liquid hydrogen, between a low conductivity molecular state and a high conductivity atomic state. Using the temperature dependence of the discontinuity in the electronic conductivity, we estimate the critical point of the transition at temperatures near 2,000 K and pressures near 120 GPa. Furthermore, we have determined the melting curve of molecular hydrogen up to pressures of 200 GPa, finding a reentrant melting line. The melting line crosses the metalization line at 700 K and 220 GPa using density functional energetics and at 550 K and 290 GPa using quantum Monte Carlo energetics. PMID:20566888

An analytical bond-order potential for carbon

DOE PAGES

Zhou, Xiaowang; Ward, Donald K.; Foster, Michael E.

2015-05-27

Carbon is the most widely studied material today because it exhibits special properties not seen in any other materials when in nano dimensions such as nanotube and graphene. Reduction of material defects created during synthesis has become critical to realize the full potential of carbon structures. Molecular dynamics (MD) simulations, in principle, allow defect formation mechanisms to be studied with high fidelity, and can, therefore, help guide experiments for defect reduction. Such MD simulations must satisfy a set of stringent requirements. First, they must employ an interatomic potential formalism that is transferable to a variety of carbon structures. Second, themore » potential needs to be appropriately parameterized to capture the property trends of important carbon structures, in particular, diamond, graphite, graphene, and nanotubes. The potential must predict the crystalline growth of the correct phases during direct MD simulations of synthesis to achieve a predictive simulation of defect formation. An unlimited number of structures not included in the potential parameterization are encountered, thus the literature carbon potentials are often not sufficient for growth simulations. We have developed an analytical bond order potential for carbon, and have made it available through the public MD simulation package LAMMPS. We also demonstrate that our potential reasonably captures the property trends of important carbon phases. As a result, stringent MD simulations convincingly show that our potential accounts not only for the crystalline growth of graphene, graphite, and carbon nanotubes but also for the transformation of graphite to diamond at high pressure.« less

An analytical bond-order potential for carbon.

PubMed

Zhou, X W; Ward, D K; Foster, M E

2015-09-05

Carbon is the most widely studied material today because it exhibits special properties not seen in any other materials when in nano dimensions such as nanotube and graphene. Reduction of material defects created during synthesis has become critical to realize the full potential of carbon structures. Molecular dynamics (MD) simulations, in principle, allow defect formation mechanisms to be studied with high fidelity, and can, therefore, help guide experiments for defect reduction. Such MD simulations must satisfy a set of stringent requirements. First, they must employ an interatomic potential formalism that is transferable to a variety of carbon structures. Second, the potential needs to be appropriately parameterized to capture the property trends of important carbon structures, in particular, diamond, graphite, graphene, and nanotubes. Most importantly, the potential must predict the crystalline growth of the correct phases during direct MD simulations of synthesis to achieve a predictive simulation of defect formation. Because an unlimited number of structures not included in the potential parameterization are encountered, the literature carbon potentials are often not sufficient for growth simulations. We have developed an analytical bond order potential for carbon, and have made it available through the public MD simulation package LAMMPS. We demonstrate that our potential reasonably captures the property trends of important carbon phases. Stringent MD simulations convincingly show that our potential accounts not only for the crystalline growth of graphene, graphite, and carbon nanotubes but also for the transformation of graphite to diamond at high pressure. © 2015 Wiley Periodicals, Inc.

Fast Simulation of Dynamic Ultrasound Images Using the GPU.

PubMed

Storve, Sigurd; Torp, Hans

2017-10-01

Simulated ultrasound data is a valuable tool for development and validation of quantitative image analysis methods in echocardiography. Unfortunately, simulation time can become prohibitive for phantoms consisting of a large number of point scatterers. The COLE algorithm by Gao et al. is a fast convolution-based simulator that trades simulation accuracy for improved speed. We present highly efficient parallelized CPU and GPU implementations of the COLE algorithm with an emphasis on dynamic simulations involving moving point scatterers. We argue that it is crucial to minimize the amount of data transfers from the CPU to achieve good performance on the GPU. We achieve this by storing the complete trajectories of the dynamic point scatterers as spline curves in the GPU memory. This leads to good efficiency when simulating sequences consisting of a large number of frames, such as B-mode and tissue Doppler data for a full cardiac cycle. In addition, we propose a phase-based subsample delay technique that efficiently eliminates flickering artifacts seen in B-mode sequences when COLE is used without enough temporal oversampling. To assess the performance, we used a laptop computer and a desktop computer, each equipped with a multicore Intel CPU and an NVIDIA GPU. Running the simulator on a high-end TITAN X GPU, we observed two orders of magnitude speedup compared to the parallel CPU version, three orders of magnitude speedup compared to simulation times reported by Gao et al. in their paper on COLE, and a speedup of 27000 times compared to the multithreaded version of Field II, using numbers reported in a paper by Jensen. We hope that by releasing the simulator as an open-source project we will encourage its use and further development.

Advanced EUV mask and imaging modeling

NASA Astrophysics Data System (ADS)

Evanschitzky, Peter; Erdmann, Andreas

2017-10-01

The exploration and optimization of image formation in partially coherent EUV projection systems with complex source shapes requires flexible, accurate, and efficient simulation models. This paper reviews advanced mask diffraction and imaging models for the highly accurate and fast simulation of EUV lithography systems, addressing important aspects of the current technical developments. The simulation of light diffraction from the mask employs an extended rigorous coupled wave analysis (RCWA) approach, which is optimized for EUV applications. In order to be able to deal with current EUV simulation requirements, several additional models are included in the extended RCWA approach: a field decomposition and a field stitching technique enable the simulation of larger complex structured mask areas. An EUV multilayer defect model including a database approach makes the fast and fully rigorous defect simulation and defect repair simulation possible. A hybrid mask simulation approach combining real and ideal mask parts allows the detailed investigation of the origin of different mask 3-D effects. The image computation is done with a fully vectorial Abbe-based approach. Arbitrary illumination and polarization schemes and adapted rigorous mask simulations guarantee a high accuracy. A fully vectorial sampling-free description of the pupil with Zernikes and Jones pupils and an optimized representation of the diffraction spectrum enable the computation of high-resolution images with high accuracy and short simulation times. A new pellicle model supports the simulation of arbitrary membrane stacks, pellicle distortions, and particles/defects on top of the pellicle. Finally, an extension for highly accurate anamorphic imaging simulations is included. The application of the models is demonstrated by typical use cases.

Automated Approach to Very High-Order Aeroacoustic Computations. Revision

NASA Technical Reports Server (NTRS)

Dyson, Rodger W.; Goodrich, John W.

2001-01-01

Computational aeroacoustics requires efficient, high-resolution simulation tools. For smooth problems, this is best accomplished with very high-order in space and time methods on small stencils. However, the complexity of highly accurate numerical methods can inhibit their practical application, especially in irregular geometries. This complexity is reduced by using a special form of Hermite divided-difference spatial interpolation on Cartesian grids, and a Cauchy-Kowalewski recursion procedure for time advancement. In addition, a stencil constraint tree reduces the complexity of interpolating grid points that am located near wall boundaries. These procedures are used to develop automatically and to implement very high-order methods (> 15) for solving the linearized Euler equations that can achieve less than one grid point per wavelength resolution away from boundaries by including spatial derivatives of the primitive variables at each grid point. The accuracy of stable surface treatments is currently limited to 11th order for grid aligned boundaries and to 2nd order for irregular boundaries.

High order finite volume WENO schemes for the Euler equations under gravitational fields

NASA Astrophysics Data System (ADS)

Li, Gang; Xing, Yulong

2016-07-01

Euler equations with gravitational source terms are used to model many astrophysical and atmospheric phenomena. This system admits hydrostatic balance where the flux produced by the pressure is exactly canceled by the gravitational source term, and two commonly seen equilibria are the isothermal and polytropic hydrostatic solutions. Exact preservation of these equilibria is desirable as many practical problems are small perturbations of such balance. High order finite difference weighted essentially non-oscillatory (WENO) schemes have been proposed in [22], but only for the isothermal equilibrium state. In this paper, we design high order well-balanced finite volume WENO schemes, which can preserve not only the isothermal equilibrium but also the polytropic hydrostatic balance state exactly, and maintain genuine high order accuracy for general solutions. The well-balanced property is obtained by novel source term reformulation and discretization, combined with well-balanced numerical fluxes. Extensive one- and two-dimensional simulations are performed to verify well-balanced property, high order accuracy, as well as good resolution for smooth and discontinuous solutions.

An Automated Approach to Very High Order Aeroacoustic Computations in Complex Geometries

NASA Technical Reports Server (NTRS)

Dyson, Rodger W.; Goodrich, John W.

2000-01-01

Computational aeroacoustics requires efficient, high-resolution simulation tools. And for smooth problems, this is best accomplished with very high order in space and time methods on small stencils. But the complexity of highly accurate numerical methods can inhibit their practical application, especially in irregular geometries. This complexity is reduced by using a special form of Hermite divided-difference spatial interpolation on Cartesian grids, and a Cauchy-Kowalewslci recursion procedure for time advancement. In addition, a stencil constraint tree reduces the complexity of interpolating grid points that are located near wall boundaries. These procedures are used to automatically develop and implement very high order methods (>15) for solving the linearized Euler equations that can achieve less than one grid point per wavelength resolution away from boundaries by including spatial derivatives of the primitive variables at each grid point. The accuracy of stable surface treatments is currently limited to 11th order for grid aligned boundaries and to 2nd order for irregular boundaries.

Efficient Numerical Simulation of Aerothermoelastic Hypersonic Vehicles

NASA Astrophysics Data System (ADS)

Klock, Ryan J.

Hypersonic vehicles operate in a high-energy flight environment characterized by high dynamic pressures, high thermal loads, and non-equilibrium flow dynamics. This environment induces strong fluid, thermal, and structural dynamics interactions that are unique to this flight regime. If these vehicles are to be effectively designed and controlled, then a robust and intuitive understanding of each of these disciplines must be developed not only in isolation, but also when coupled. Limitations on scaling and the availability of adequate test facilities mean that physical investigation is infeasible. Ever growing computational power offers the ability to perform elaborate numerical simulations, but also has its own limitations. The state of the art in numerical simulation is either to create ever more high-fidelity physics models that do not couple well and require too much processing power to consider more than a few seconds of flight, or to use low-fidelity analytical models that can be tightly coupled and processed quickly, but do not represent realistic systems due to their simplifying assumptions. Reduced-order models offer a middle ground by distilling the dominant trends of high-fidelity training solutions into a form that can be quickly processed and more tightly coupled. This thesis presents a variably coupled, variable-fidelity, aerothermoelastic framework for the simulation and analysis of high-speed vehicle systems using analytical, reduced-order, and surrogate modeling techniques. Full launch-to-landing flights of complete vehicles are considered and used to define flight envelopes with aeroelastic, aerothermal, and thermoelastic limits, tune in-the-loop flight controllers, and inform future design considerations. A partitioned approach to vehicle simulation is considered in which regions dominated by particular combinations of processes are made separate from the overall solution and simulated by a specialized set of models to improve overall processing speed and overall solution fidelity. A number of enhancements to this framework are made through 1. the implementation of a publish-subscribe code architecture for rapid prototyping of physics and process models. 2. the implementation of a selection of linearization and model identification methods including high-order pseudo-time forward difference, complex-step, and direct identification from ordinary differential equation inspection. 3. improvements to the aeroheating and thermal models with non-equilibrium gas dynamics and generalized temperature dependent material thermal properties. A variety of model reduction and surrogate model techniques are applied to a representative hypersonic vehicle on a terminal trajectory to enable complete aerothermoelastic flight simulations. Multiple terminal trajectories of various starting altitudes and Mach numbers are optimized to maximize final kinetic energy of the vehicle upon reaching the surface. Surrogate models are compared to represent the variation of material thermal properties with temperature. A new method is developed and shown to be both accurate and computationally efficient. While the numerically efficient simulation of high-speed vehicles is developed within the presented framework, the goal of real time simulation is hampered by the necessity of multiple nested convergence loops. An alternative all-in-one surrogate model method is developed based on singular-value decomposition and regression that is near real time. Finally, the aeroelastic stability of pressurized cylindrical shells is investigated in the context of a maneuvering axisymmetric high-speed vehicle. Moderate internal pressurization is numerically shown to decrease stability, as showed experimentally in the literature, yet not well reproduced analytically. Insights are drawn from time simulation results and used to inform approaches for future vehicle model development.

High Fidelity Aeroelasticity Simulations of Aircraft and Turbomachinery with Fully-Coupled Fluid-Structure Interaction

NASA Astrophysics Data System (ADS)

Gan, Jiaye

The purpose of this research is to develop high fidelity numerical methods to investigate the complex aeroelasticity fluid-structural problems of aircraft and aircraft engine turbomachinery. Unsteady 3D compressible Navier-Stokes equations in generalized coordinates are solved to simulate the complex fluid dynamic problems in aeroelasticity. An efficient and low diffusion E-CUSP (LDE) scheme designed to minimize numerical dissipation is used as a Riemann solver to capture shock waves in transonic and supersonic flows. An improved hybrid turbulence modeling, delayed detached eddy simulation (DDES), is implemented to simulate shock induced separation and rotating stall flows. High order accuracy (3rd and 5th order) weighted essentially non-oscillatory (WENO) schemes for inviscid flux and a conservative 2nd and 4th order viscous flux differencing are employed. To resolve the nonlinear interaction between flow and vibrating blade structures, a fully coupled fluid-structure interaction (FSI) procedure that solves the structural modal equations and time accurate Navier-Stokes equations simultaneously is adopted. A rotor/stator sliding interpolation technique is developed to accurately capture the blade rows interaction at the interface with general grid distribution. Phase lag boundary conditions (BC) based on the time shift (direct store) method and the Fourier series phase lag BC are applied to consider the effect of phase difference for a sector of annulus simulation. Extensive validations are conducted to demonstrate high accuracy and robustness of the high fidelity FSI methodology. The accuracy and robustness of RANS, URANS and DDES turbulence models with high order schemes for predicting the lift and drag of the DLR-F6 configuration are verified. The DDES predicts the drag very well whereas the URANS model significantly over predicts the drag. DDES of a finned projectile base flows is conducted to further validate the high fidelity methods with vortical flow. The DDES is demonstrated to be superior to the URANS for the projectile flow prediction. DDES of a 3D transonic wing flutter is validated with AGARD Wing 445.6 aeroelasticity experiment at free stream Mach number varied from subsonic to supersonic. The predicted flutter boundary at different free stream Mach number including the sonic dip achieves very good agreement with the experiment. In particular, the predicted flutter boundaries at the supersonic conditions match the experiment accurately. The mechanism of sonic dip is investigated. Simulation of supersonic fluid-structural interaction of a flat panel is performed by using DDES with high order shock capturing scheme. The panel vibration induced by the shock boundary layer interaction is well resolved by the high fidelity method. The dominant panel response agrees well with the experiment in terms of the mean panel displacement and frequency. The DDES methodology is used to investigate the stall inception of NASA Stage 35 compressor. The process of rotating stall is compared between the results using both URANS and DDES with full annulus. The stall process begins with spike inception and develops to full stall. The numbers of stall cell, and the size and propagating speed of the stall cells are well captured by both URANS and DDES. Two stall cells with 42% rotor rotating speed are resolved by DDES and one stall cell with 90% rotor rotating speed by URANS. It is not conclusive which method is more accurate since there is no experimental data, but the DDES does show more realistic vortical turbulence with more small scale structures. The non-synchronous vibration (NSV) of a high speed 1-1/2 stage axial compressor is investigated by using rigid blade and vibrating blade with fluid-structural interaction. An interpolation sliding boundary condition is used for the rotor-stator interaction. The URANS simulation with rigid blades shows that the leading edge(LE) circumferentially traveling vortices, roughly above 80% rotor span, travel backwards relative to the rotor rotation and cause an excitation with the frequency agreeing with the measured NSV frequency. The predicted excitation frequency of the traveling vortices in the rigid blade simulation is a non-engine order frequency of 2603 Hz, which agrees very well with the rig measured frequency of 2600 Hz. For the FSI simulation, the results show that there exist two dominant frequencies in the spectrum of the blade vibration. The lower dominant frequency is close to the first bending mode. The higher dominant frequency close to the first torsional mode agrees very well with the measured NSV frequency. To investigate whether the NSV is caused by flow excitation or by flow-structure locked-in phenomenon, the rotating speed is varied within a small RPM range, in which the rig test detected the NSV. The unsteady flows with rigid blades are simulated first at several RPMs. A dominant excitation NSV frequency caused by the circumferentially traveling tip vortices are captured. The simulation then switches to fluid structure interaction that allows the blades to vibrate freely. (Abstract shortened by ProQuest.).

The Application of High Energy Resolution Green's Functions to Threat Scenario Simulation

NASA Astrophysics Data System (ADS)

Thoreson, Gregory G.; Schneider, Erich A.

2012-04-01

Radiation detectors installed at key interdiction points provide defense against nuclear smuggling attempts by scanning vehicles and traffic for illicit nuclear material. These hypothetical threat scenarios may be modeled using radiation transport simulations. However, high-fidelity models are computationally intensive. Furthermore, the range of smuggler attributes and detector technologies create a large problem space not easily overcome by brute-force methods. Previous research has demonstrated that decomposing the scenario into independently simulated components using Green's functions can simulate photon detector signals with coarse energy resolution. This paper extends this methodology by presenting physics enhancements and numerical treatments which allow for an arbitrary level of energy resolution for photon transport. As a result, spectroscopic detector signals produced from full forward transport simulations can be replicated while requiring multiple orders of magnitude less computation time.

Closed-Loop System Identification Experience for Flight Control Law and Flying Qualities Evaluation of a High Performance Fighter Aircraft

NASA Technical Reports Server (NTRS)

Murphy, Patrick C.

1996-01-01

This paper highlights some of the results and issues associated with estimating models to evaluate control law design methods and design criteria for advanced high performance aircraft. Experimental fighter aircraft such as the NASA-High Alpha Research Vehicle (HARV) have the capability to maneuver at very high angles of attack where nonlinear aerodynamics often predominate. HARV is an experimental F/A-18, configured with thrust vectoring and conformal actuated nose strakes. Identifying closed-loop models for this type of aircraft can be made difficult by nonlinearities and high order characteristics of the system. In this paper, only lateral-directional axes are considered since the lateral-directional control law was specifically designed to produce classical airplane responses normally expected with low-order, rigid-body systems. Evaluation of the control design methodology was made using low-order equivalent systems determined from flight and simulation. This allowed comparison of the closed-loop rigid-body dynamics achieved in flight with that designed in simulation. In flight, the On Board Excitation System was used to apply optimal inputs to lateral stick and pedals at five angles at attack : 5, 20, 30, 45, and 60 degrees. Data analysis and closed-loop model identification were done using frequency domain maximum likelihood. The structure of identified models was a linear state-space model reflecting classical 4th-order airplane dynamics. Input time delays associated with the high-order controller and aircraft system were accounted for in data preprocessing. A comparison of flight estimated models with small perturbation linear design models highlighted nonlinearities in the system and indicated that the closed-loop rigid-body dynamics were sensitive to input amplitudes at 20 and 30 degrees angle of attack.

Closed-Loop System Identification Experience for Flight Control Law and Flying Qualities Evaluation of a High Performance Fighter Aircraft

NASA Technical Reports Server (NTRS)

Murphy, Patrick C.

1999-01-01

This paper highlights some of the results and issues associated with estimating models to evaluate control law design methods and design criteria for advanced high performance aircraft. Experimental fighter aircraft such as the NASA High Alpha Research Vehicle (HARV) have the capability to maneuver at very high angles of attack where nonlinear aerodynamics often predominate. HARV is an experimental F/A-18, configured with thrust vectoring and conformal actuated nose strakes. Identifying closed-loop models for this type of aircraft can be made difficult by nonlinearities and high-order characteristics of the system. In this paper only lateral-directional axes are considered since the lateral-directional control law was specifically designed to produce classical airplane responses normally expected with low-order, rigid-body systems. Evaluation of the control design methodology was made using low-order equivalent systems determined from flight and simulation. This allowed comparison of the closed-loop rigid-body dynamics achieved in flight with that designed in simulation. In flight, the On Board Excitation System was used to apply optimal inputs to lateral stick and pedals at five angles of attack: 5, 20, 30, 45, and 60 degrees. Data analysis and closed-loop model identification were done using frequency domain maximum likelihood. The structure of the identified models was a linear state-space model reflecting classical 4th-order airplane dynamics. Input time delays associated with the high-order controller and aircraft system were accounted for in data preprocessing. A comparison of flight estimated models with small perturbation linear design models highlighted nonlinearities in the system and indicated that the estimated closed-loop rigid-body dynamics were sensitive to input amplitudes at 20 and 30 degrees angle of attack.

Lattice Boltzmann simulation of shear-induced particle migration in plane Couette-Poiseuille flow: Local ordering of suspension

NASA Astrophysics Data System (ADS)

Chun, Byoungjin; Kwon, Ilyoung; Jung, Hyun Wook; Hyun, Jae Chun

2017-12-01

The shear-induced migration of concentrated non-Brownian monodisperse suspensions in combined plane Couette-Poiseuille (C-P) flows is studied using a lattice Boltzmann simulation. The simulations are mainly performed for a particle volume fraction of ϕbulk = 0.4 and H/a = 44.3, 23.3, where H and a denote the channel height and radius of suspended particles, respectively. The simulation method is validated in two simple flows, plane Poiseuille and plane Couette flows. In the Poiseuille flow, particles migrate to the mid-plane of the channel where the local concentration is close to the limit of random-close-packing, and a random structure is also observed at the plane. In the Couette flow, the particle distribution remains in the initial uniform distribution. In the combined C-P flows, the behaviors of migration are categorized into three groups, namely, Poiseuille-dominant, Couette-dominant, and intermediate regimes, based on the value of a characteristic force, G, where G denotes the relative magnitude of the body force (P) against the wall-driving force (C). With respect to the Poiseuille-dominant regime, the location of the maximum concentration is shifted from the mid-plane to the lower wall moving in the same direction as the external body force, when G decreases. With respect to the Couette-dominant regime, the behavior is similar to that of a simple shear flow with the exception that a slightly higher concentration of particles is observed near the lower wall. However, with respect to the intermediate value of G, several layers of highly ordered particles are unexpectedly observed near the lower wall where the plane of maximum concentration is located. The locally ordered structure is mainly due to the lateral migration of particles and wall confinement. The suspended particles migrate toward a vanishingly small shear rate at the wall, and they are consequently layered into highly ordered two-dimensional structures at the high local volume fraction.

Precision comparison of the power spectrum in the EFTofLSS with simulations

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

Foreman, Simon; Senatore, Leonardo; Perrier, Hideki, E-mail: sfore@stanford.edu, E-mail: senatore@stanford.edu, E-mail: hideki.perrier@unige.ch

2016-05-01

We study the prediction of the dark matter power spectrum at two-loop order in the Effective Field Theory of Large Scale Structures (EFTofLSS) using high precision numerical simulations. In our universe, short distance non-linear fluctuations, not under perturbative control, affect long distance fluctuations through an effective stress tensor that needs to be parametrized in terms of counterterms that are functions of the long distance fluctuating fields. We find that at two-loop order it is necessary to include three counterterms: a linear term in the overdensity, δ, a quadratic term, δ{sup 2}, and a higher derivative term, ∂{sup 2}δ. After themore » inclusion of these three terms, the EFTofLSS at two-loop order matches simulation data up to k ≅ 0.34 h Mpc{sup −1} at redshift z = 0, up to k ≅ 0.55 h Mpc{sup −1} at z = 1, and up to k ≅ 1.1 h Mpc{sup −1} at z = 2. At these wavenumbers, the cosmic variance of the simulation is at least as small as 10{sup −3}, providing for the first time a high precision comparison between theory and data. The actual reach of the theory is affected by theoretical uncertainties associated to not having included higher order terms in perturbation theory, for which we provide an estimate, and by potentially overfitting the data, which we also try to address. Since in the EFTofLSS the coupling constants associated with the counterterms are unknown functions of time, we show how a simple parametrization gives a sensible description of their time-dependence. Overall, the k -reach of the EFTofLSS is much larger than previous analytical techniques, showing that the amount of cosmological information amenable to high-precision analytical control might be much larger than previously believed.« less

Numerical simulation of liquid droplet breakup in supersonic flows

NASA Astrophysics Data System (ADS)

Liu, Nan; Wang, Zhenguo; Sun, Mingbo; Wang, Hongbo; Wang, Bing

2018-04-01

A five-equation model based on finite-difference frame was utilized to simulate liquid droplet breakup in supersonic flows. To enhance the interface-capturing quality, an anti-diffusion method was introduced as a correction of volume-fraction after each step of calculation to sharpen the interface. The robustness was guaranteed by the hybrid variable reconstruction in which the second-order and high-order method were respectively employed in discontinuous and continuous flow fields. According to the recent classification of droplet breakup regimes, the simulations lay in the shear induced entrainment regime. Comparing to the momentum of the high-speed air flows, surface tension and viscid force were negligible in both two-dimensional and three-dimensional simulations. The inflow conditions were set as Mach 1.2, 1.5 and 1.8 to reach different dynamic pressure with the liquid to gas density ratio being 1000 initially. According to the results of simulations, the breakup process was divided into three stages which were analyzed in details with the consideration of interactions between gas and liquid. The shear between the high-speed gas flow and the liquid droplet was found to be the sources of surface instabilities on windward, while the instabilities on the leeward side were originated by vortices. Movement of the liquid mass center was studied, and the unsteady acceleration was observed. In addition, the characteristic breakup time was around 1.0 based on the criterion of either droplet thickness or liquid volume fraction.

Reduced order model of a blended wing body aircraft configuration

NASA Astrophysics Data System (ADS)

Stroscher, F.; Sika, Z.; Petersson, O.

2013-12-01

This paper describes the full development process of a numerical simulation model for the ACFA2020 (Active Control for Flexible 2020 Aircraft) blended wing body (BWB) configuration. Its requirements are the prediction of aeroelastic and flight dynamic response in time domain, with relatively small model order. Further, the model had to be parameterized with regard to multiple fuel filling conditions, as well as flight conditions. High efforts have been conducted in high-order aerodynamic analysis, for subsonic and transonic regime, by several project partners. The integration of the unsteady aerodynamic databases was one of the key issues in aeroelastic modeling.

Development of a High-Order Navier-Stokes Solver Using Flux Reconstruction to Simulate Three-Dimensional Vortex Structures in a Curved Artery Model

NASA Astrophysics Data System (ADS)

Cox, Christopher

Low-order numerical methods are widespread in academic solvers and ubiquitous in industrial solvers due to their robustness and usability. High-order methods are less robust and more complicated to implement; however, they exhibit low numerical dissipation and have the potential to improve the accuracy of flow simulations at a lower computational cost when compared to low-order methods. This motivates our development of a high-order compact method using Huynh's flux reconstruction scheme for solving unsteady incompressible flow on unstructured grids. We use Chorin's classic artificial compressibility formulation with dual time stepping to solve unsteady flow problems. In 2D, an implicit non-linear lower-upper symmetric Gauss-Seidel scheme with backward Euler discretization is used to efficiently march the solution in pseudo time, while a second-order backward Euler discretization is used to march in physical time. We verify and validate implementation of the high-order method coupled with our implicit time stepping scheme using both steady and unsteady incompressible flow problems. The current implicit time stepping scheme is proven effective in satisfying the divergence-free constraint on the velocity field in the artificial compressibility formulation. The high-order solver is extended to 3D and parallelized using MPI. Due to its simplicity, time marching for 3D problems is done explicitly. The feasibility of using the current implicit time stepping scheme for large scale three-dimensional problems with high-order polynomial basis still remains to be seen. We directly use the aforementioned numerical solver to simulate pulsatile flow of a Newtonian blood-analog fluid through a rigid 180-degree curved artery model. One of the most physiologically relevant forces within the cardiovascular system is the wall shear stress. This force is important because atherosclerotic regions are strongly correlated with curvature and branching in the human vasculature, where the shear stress is both oscillatory and multidirectional. Also, the combined effect of curvature and pulsatility in cardiovascular flows produces unsteady vortices. The aim of this research as it relates to cardiovascular fluid dynamics is to predict the spatial and temporal evolution of vortical structures generated by secondary flows, as well as to assess the correlation between multiple vortex pairs and wall shear stress. We use a physiologically (pulsatile) relevant flow rate and generate results using both fully developed and uniform entrance conditions, the latter being motivated by the fact that flow upstream of a curved artery may not have sufficient straight entrance length to become fully developed. Under the two pulsatile inflow conditions, we characterize the morphology and evolution of various vortex pairs and their subsequent effect on relevant haemodynamic wall shear stress metrics.

Field programmable analog array based on current differencing transconductance amplifiers and its application to high-order filter

NASA Astrophysics Data System (ADS)

He, Haizhen; Luo, Rongming; Hu, Zhenhua; Wen, Lei

2017-07-01

A current-mode field programmable analog array(FPAA) is presented in this paper. The proposed FPAA consists of 9 configurable analog blocks(CABs) which are based on current differencing transconductance amplifiers (CDTA) and trans-impedance amplifier (TIA). The proposed CABs interconnect through global lines. These global lines contain some bridge switches, which used to reduce the parasitic capacitance effectively. High-order current-mode low-pass and band-pass filter with transmission zeros based on the simulation of general passive RLC ladder prototypes is proposed and mapped into the FPAA structure in order to demonstrate the versatility of the FPAA. These filters exhibit good performance on bandwidth. Filter's cutoff frequency can be tuned from 1.2MHz to 40MHz.The proposed FPAA is simulated in a standard Charted 0.18μm CMOS process with +/-1.2V power supply to confirm the presented theory, and the results have good agreement with the theoretical analysis.

Asynchronous threat awareness by observer trials using crowd simulation

NASA Astrophysics Data System (ADS)

Dunau, Patrick; Huber, Samuel; Stein, Karin U.; Wellig, Peter

2016-10-01

The last few years showed that a high risk of asynchronous threats is given in every day life. Especially in large crowds a high probability of asynchronous attacks is evident. High observational abilities to detect threats are desirable. Consequently highly trained security and observation personal is needed. This paper evaluates the effectiveness of a training methodology to enhance performance of observation personnel engaging in a specific target identification task. For this purpose a crowd simulation video is utilized. The study first provides a measurement of the base performance before the training sessions. Furthermore a training procedure will be performed. Base performance will then be compared to the after training performance in order to look for a training effect. A thorough evaluation of both the training sessions as well as the overall performance will be done in this paper. A specific hypotheses based metric is used. Results will be discussed in order to provide guidelines for the design of training for observational tasks.

Real-time haptic cutting of high-resolution soft tissues.

PubMed

Wu, Jun; Westermann, Rüdiger; Dick, Christian

2014-01-01

We present our systematic efforts in advancing the computational performance of physically accurate soft tissue cutting simulation, which is at the core of surgery simulators in general. We demonstrate a real-time performance of 15 simulation frames per second for haptic soft tissue cutting of a deformable body at an effective resolution of 170,000 finite elements. This is achieved by the following innovative components: (1) a linked octree discretization of the deformable body, which allows for fast and robust topological modifications of the simulation domain, (2) a composite finite element formulation, which thoroughly reduces the number of simulation degrees of freedom and thus enables to carefully balance simulation performance and accuracy, (3) a highly efficient geometric multigrid solver for solving the linear systems of equations arising from implicit time integration, (4) an efficient collision detection algorithm that effectively exploits the composition structure, and (5) a stable haptic rendering algorithm for computing the feedback forces. Considering that our method increases the finite element resolution for physically accurate real-time soft tissue cutting simulation by an order of magnitude, our technique has a high potential to significantly advance the realism of surgery simulators.

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

Lee, Y.C.; Doolen, G.; Chen, H.H.

A high-order correlation tensor formalism for neural networks is described. The model can simulate auto associative, heteroassociative, as well as multiassociative memory. For the autoassociative model, simulation results show a drastic increase in the memory capacity and speed over that of the standard Hopfield-like correlation matrix methods. The possibility of using multiassociative memory for a learning universal inference network is also discussed. 9 refs., 5 figs.

Mechanical Characterization of the Iter Mock-Up Insulation after Reactor Irradiation

NASA Astrophysics Data System (ADS)

Prokopec, R.; Humer, K.; Fillunger, H.; Maix, R. K.; Weber, H. W.

2010-04-01

The ITER mock-up project was launched in order to demonstrate the feasibility of an industrial impregnation process using the new cyanate ester/epoxy blend. The mock-up simulates the TF winding pack cross section by a stainless steel structure with the same dimensions as the TF winding pack at a length of 1 m. It consists of 7 plates simulating the double pancakes, each of them is wrapped with glass fiber/Kapton sandwich tapes. After stacking the 7 plates, additional insulation layers are wrapped to simulate the ground insulation. This paper presents the results of the mechanical quality tests on the mock-up pancake insulation. Tensile and short beam shear specimens were cut from the plates extracted from the mock-up and tested at 77 K using a servo-hydraulic material testing device. All tests were repeated after reactor irradiation to a fast neutron fluence of 1×1022 m-2 (E>0.1 MeV). In order to simulate the pulsed operation of ITER, tension-tension fatigue measurements were performed in the load controlled mode. Initial results show a high mechanical strength as expected from the high number of thin glass fiber layers, and an excellent homogeneity of the material.

Numerical Modeling of Thermal-Hydrology in the Near Field of a Generic High-Level Waste Repository

NASA Astrophysics Data System (ADS)

Matteo, E. N.; Hadgu, T.; Park, H.

2016-12-01

Disposal in a deep geologic repository is one of the preferred option for long term isolation of high-level nuclear waste. Coupled thermal-hydrologic processes induced by decay heat from the radioactive waste may impact fluid flow and the associated migration of radionuclides. This study looked at the effects of those processes in simulations of thermal-hydrology for the emplacement of U. S. Department of Energy managed high-level waste and spent nuclear fuel. Most of the high-level waste sources have lower thermal output which would reduce the impact of thermal propagation. In order to quantify the thermal limits this study concentrated on the higher thermal output sources and on spent nuclear fuel. The study assumed a generic nuclear waste repository at 500 m depth. For the modeling a representative domain was selected representing a portion of the repository layout in order to conduct a detailed thermal analysis. A highly refined unstructured mesh was utilized with refinements near heat sources and at intersections of different materials. Simulations looked at different values for properties of components of the engineered barrier system (i.e. buffer, disturbed rock zone and the host rock). The simulations also looked at the effects of different durations of surface aging of the waste to reduce thermal perturbations. The PFLOTRAN code (Hammond et al., 2014) was used for the simulations. Modeling results for the different options are reported and include temperature and fluid flow profiles in the near field at different simulation times. References:G. E. Hammond, P.C. Lichtner and R.T. Mills, "Evaluating the Performance of Parallel Subsurface Simulators: An Illustrative Example with PFLOTRAN", Water Resources Research, 50, doi:10.1002/2012WR013483 (2014). Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. SAND2016-7510 A

Experiments with explicit filtering for LES using a finite-difference method

NASA Technical Reports Server (NTRS)

Lund, T. S.; Kaltenbach, H. J.

1995-01-01

The equations for large-eddy simulation (LES) are derived formally by applying a spatial filter to the Navier-Stokes equations. The filter width as well as the details of the filter shape are free parameters in LES, and these can be used both to control the effective resolution of the simulation and to establish the relative importance of different portions of the resolved spectrum. An analogous, but less well justified, approach to filtering is more or less universally used in conjunction with LES using finite-difference methods. In this approach, the finite support provided by the computational mesh as well as the wavenumber-dependent truncation errors associated with the finite-difference operators are assumed to define the filter operation. This approach has the advantage that it is also 'automatic' in the sense that no explicit filtering: operations need to be performed. While it is certainly convenient to avoid the explicit filtering operation, there are some practical considerations associated with finite-difference methods that favor the use of an explicit filter. Foremost among these considerations is the issue of truncation error. All finite-difference approximations have an associated truncation error that increases with increasing wavenumber. These errors can be quite severe for the smallest resolved scales, and these errors will interfere with the dynamics of the small eddies if no corrective action is taken. Years of experience at CTR with a second-order finite-difference scheme for high Reynolds number LES has repeatedly indicated that truncation errors must be minimized in order to obtain acceptable simulation results. While the potential advantages of explicit filtering are rather clear, there is a significant cost associated with its implementation. In particular, explicit filtering reduces the effective resolution of the simulation compared with that afforded by the mesh. The resolution requirements for LES are usually set by the need to capture most of the energy-containing eddies, and if explicit filtering is used, the mesh must be enlarged so that these motions are passed by the filter. Given the high cost of explicit filtering, the following interesting question arises. Since the mesh must be expanded in order to perform the explicit filter, might it be better to take advantage of the increased resolution and simply perform an unfiltered simulation on the larger mesh? The cost of the two approaches is roughly the same, but the philosophy is rather different. In the filtered simulation, resolution is sacrificed in order to minimize the various forms of numerical error. In the unfiltered simulation, the errors are left intact, but they are concentrated at very small scales that could be dynamically unimportant from a LES perspective. Very little is known about this tradeoff and the objective of this work is to study this relationship in high Reynolds number channel flow simulations using a second-order finite-difference method.

Towards Virtual FLS: Development of a Peg Transfer Simulator

PubMed Central

Arikatla, Venkata S; Ahn, Woojin; Sankaranarayanan, Ganesh; De, Suvranu

2014-01-01

Background Peg transfer is one of five tasks in the Fundamentals of Laparoscopic Surgery (FLS), program. We report the development and validation of a Virtual Basic Laparoscopic Skill Trainer-Peg Transfer (VBLaST-PT©) simulator for automatic real-time scoring and objective quantification of performance. Methods We have introduced new techniques in order to allow bi-manual manipulation of pegs and automatic scoring/evaluation while maintaining high quality of simulation. We performed a preliminary face and construct validation study with 22 subjects divided into two groups: experts (PGY 4–5, fellow and practicing surgeons) and novice (PGY 1–3). Results Face validation shows high scores for all the aspects of the simulation. A two-tailed Mann-Whitney U-test scores showed significant difference between the two groups on completion time (p=0.003), FLS score (p=0.002) and the VBLaST-PT© score (p=0.006). Conclusions VBLaST-PT© is a high quality virtual simulator that showed both face and construct validity. PMID:24030904

A High-Performance Cellular Automaton Model of Tumor Growth with Dynamically Growing Domains

PubMed Central

Poleszczuk, Jan; Enderling, Heiko

2014-01-01

Tumor growth from a single transformed cancer cell up to a clinically apparent mass spans many spatial and temporal orders of magnitude. Implementation of cellular automata simulations of such tumor growth can be straightforward but computing performance often counterbalances simplicity. Computationally convenient simulation times can be achieved by choosing appropriate data structures, memory and cell handling as well as domain setup. We propose a cellular automaton model of tumor growth with a domain that expands dynamically as the tumor population increases. We discuss memory access, data structures and implementation techniques that yield high-performance multi-scale Monte Carlo simulations of tumor growth. We discuss tumor properties that favor the proposed high-performance design and present simulation results of the tumor growth model. We estimate to which parameters the model is the most sensitive, and show that tumor volume depends on a number of parameters in a non-monotonic manner. PMID:25346862

Greenhouse effect simulator - An educational application

NASA Astrophysics Data System (ADS)

Machado, Alan Freitas; Viveiros, Bruno Martins; da Silva, Claudio Elias

2016-12-01

Using the program "Modellus", we intend to create a simple simulation to show the impacts that the Greenhouse Effect might have, in a didactic and friendly way, in order to expose this notions to high and middle school students. In order to do so, we created a program that will simulate a sweep, through the Troposphere, and create two lines in a graphic, one showing the temperatures behavior, in normal conditions, and the other showing how the temperature behaves in the presence of excess of Greenhouse gases. The main purpose of the project is to use the model in schools and try to make kids more conscious of their roles in our so society, showing them the consequences of the tendency of our acts, stimulating them to be more proactives to change the future.

Physical lumping methods for developing linear reduced models for high speed propulsion systems

NASA Technical Reports Server (NTRS)

Immel, S. M.; Hartley, Tom T.; Deabreu-Garcia, J. Alex

1991-01-01

In gasdynamic systems, information travels in one direction for supersonic flow and in both directions for subsonic flow. A shock occurs at the transition from supersonic to subsonic flow. Thus, to simulate these systems, any simulation method implemented for the quasi-one-dimensional Euler equations must have the ability to capture the shock. In this paper, a technique combining both backward and central differencing is presented. The equations are subsequently linearized about an operating point and formulated into a linear state space model. After proper implementation of the boundary conditions, the model order is reduced from 123 to less than 10 using the Schur method of balancing. Simulations comparing frequency and step response of the reduced order model and the original system models are presented.

Scattering and Emission from Inhomogeneous Vegetation Canopy and Alien Target by Using Three-Dimensional Vector Radiative Transfer (3D-VRT) Equation

NASA Astrophysics Data System (ADS)

Jin, Ya-Qiu; Liang, Zichang

2005-01-01

To solve 3D-VRT equation for the model of spatially inhomogeneous scatter media, the finite enclosure of the scatter media is geometrically divided, in both the vertical z and horizontal (x,y) directions, to form very thin multi-boxes. The zero-th order emission, first-order Mueller matrix of each thin box and an iterative approach of high-order radiative transfer are applied to deriving high-order scattering and emission of whole inhomogeneous scatter media. Numerical results of polarized brightness temperature at microwave frequency and under different radiometer's resolutions from inhomogeneous scatter model such as vegetation canopy and embedded alien target are simulated and discussed.

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

3D detectors with high space and time resolution

NASA Astrophysics Data System (ADS)

Loi, A.

2018-01-01

For future high luminosity LHC experiments it will be important to develop new detector systems with increased space and time resolution and also better radiation hardness in order to operate in high luminosity environment. A possible technology which could give such performances is 3D silicon detectors. This work explores the possibility of a pixel geometry by designing and simulating different solutions, using Sentaurus Tecnology Computer Aided Design (TCAD) as design and simulation tool, and analysing their performances. A key factor during the selection was the generated electric field and the carrier velocity inside the active area of the pixel.

Quantitative measurement of protein digestion in simulated gastric fluid.

PubMed

Herman, Rod A; Korjagin, Valerie A; Schafer, Barry W

2005-04-01

The digestibility of novel proteins in simulated gastric fluid is considered to be an indicator of reduced risk of allergenic potential in food, and estimates of digestibility for transgenic proteins expressed in crops are required for making a human-health risk assessment by regulatory authorities. The estimation of first-order rate constants for digestion under conditions of low substrate concentration was explored for two protein substrates (azocoll and DQ-ovalbumin). Data conformed to first-order kinetics, and half-lives were relatively insensitive to significant variations in both substrate and pepsin concentration when high purity pepsin preparations were used. Estimation of digestion efficiency using densitometric measurements of relative protein concentration based on SDS-PAGE corroborated digestion estimates based on measurements of dye or fluorescence release from the labeled substrates. The suitability of first-order rate constants for estimating the efficiency of the pepsin digestion of novel proteins is discussed. Results further support a kinetic approach as appropriate for comparing the digestibility of proteins in simulated gastric fluid.

Two dimensional simulations of triode VHF SiH4 plasma

NASA Astrophysics Data System (ADS)

Su, Li-Wen; Chen, Weiting; Uchino, Kiichiro; Kawai, Yoshinobu

2018-06-01

Two-dimensional simulations of a triode VHF SiH4 plasma (60 MHz) were performed using a fluid model, where the plasma was realized using multirod electrodes. Higher-order silanes that are responsible for the quality of amorphous silicon were included in the simulations. A typical VHF plasma with an electron density higher than 1016 m‑3 and an electron temperature lower than 3 eV was predicted between discharge electrodes while the electron density near the substrate was very low. The SiH3 density was fairly uniform between discharge electrodes and did not decrease rapidly near the substrate, suggesting a high-speed deposition. Higher-order molecules and radicals that play an important role in dust formation had similar spatial profiles and their densities were five to 6 orders of magnitude lower than the SiH3 density. We discussed the effect of the rate constant of reaction, SiH3 + SiH3 → SiH2 + SiH4, on the SiH3 density.

Crystal structure of solid molecular hydrogen under high pressures

NASA Astrophysics Data System (ADS)

Cui, T.; Ma, Y.; Zou, G.

2002-11-01

In an effort to achieve a comprehensive understanding of the structure of dense H2, we have performed path-integral Monte Carlo simulations for three combinations of pressures and temperatures corresponding to three phases of solid hydrogen. Our results suggest three kinds of distribution of molecules: orientationally disordered hexagonal close packed (hcp), orientationally ordered hcp with Pa3-type local orientation order and orientationally ordered orthorhombic structure of Cmca symmetry, for the three phases.

Validation of a RANS transition model using a high-order weighted compact nonlinear scheme

NASA Astrophysics Data System (ADS)

Tu, GuoHua; Deng, XiaoGang; Mao, MeiLiang

2013-04-01

A modified transition model is given based on the shear stress transport (SST) turbulence model and an intermittency transport equation. The energy gradient term in the original model is replaced by flow strain rate to saving computational costs. The model employs local variables only, and then it can be conveniently implemented in modern computational fluid dynamics codes. The fifth-order weighted compact nonlinear scheme and the fourth-order staggered scheme are applied to discrete the governing equations for the purpose of minimizing discretization errors, so as to mitigate the confusion between numerical errors and transition model errors. The high-order package is compared with a second-order TVD method on simulating the transitional flow of a flat plate. Numerical results indicate that the high-order package give better grid convergence property than that of the second-order method. Validation of the transition model is performed for transitional flows ranging from low speed to hypersonic speed.

Molecular dynamics simulations of stratum corneum lipid models: fatty acids and cholesterol.

PubMed

Höltje, M; Förster, T; Brandt, B; Engels, T; von Rybinski, W; Höltje, H D

2001-03-09

We report the results of an investigation on stratum corneum lipids, which present the main barrier of the skin. Molecular dynamics simulations, thermal analysis and FTIR measurements were applied. The primary objective of this work was to study the effect of cholesterol on skin structure and dynamics. Two molecular models were constructed, a free fatty acid bilayer (stearic acid, palmitic acid) and a fatty acid/cholesterol mixture at a 1:1 molar ratio. Our simulations were performed at constant pressure and temperature on a nanosecond time scale. The resulting model structures were characterized by calculating surface areas per headgroup, conformational properties, atom densities and order parameters of the fatty acids. Analysis of the simulations indicates that the free fatty acid fraction of stratum corneum lipids stays in a highly ordered crystalline state at skin temperatures. The phase behavior is strongly influenced when cholesterol is added. Cholesterol smoothes the rigid phases of the fatty acids: the order of the hydrocarbon tails (mainly of the last eight bonds) is reduced, the area per molecule becomes larger, the fraction of trans dihedrals is lower and the hydrophobic thickness is reduced. The simulation results are in good agreement with our experimental data from FTIR analysis and NIR-FT Raman spectroscopy.

The Time Dependent Propensity Function for Acceleration of Spatial Stochastic Simulation of Reaction-Diffusion Systems

PubMed Central

Wu, Sheng; Li, Hong; Petzold, Linda R.

2015-01-01

The inhomogeneous stochastic simulation algorithm (ISSA) is a fundamental method for spatial stochastic simulation. However, when diffusion events occur more frequently than reaction events, simulating the diffusion events by ISSA is quite costly. To reduce this cost, we propose to use the time dependent propensity function in each step. In this way we can avoid simulating individual diffusion events, and use the time interval between two adjacent reaction events as the simulation stepsize. We demonstrate that the new algorithm can achieve orders of magnitude efficiency gains over widely-used exact algorithms, scales well with increasing grid resolution, and maintains a high level of accuracy. PMID:26609185

Mesoscale Particle-Based Model of Electrophoretic Deposition

DOE PAGES

Giera, Brian; Zepeda-Ruiz, Luis A.; Pascall, Andrew J.; ...

2016-12-20

In this paper, we present and evaluate a semiempirical particle-based model of electrophoretic deposition using extensive mesoscale simulations. We analyze particle configurations in order to observe how colloids accumulate at the electrode and arrange into deposits. In agreement with existing continuum models, the thickness of the deposit increases linearly in time during deposition. Resulting colloidal deposits exhibit a transition between highly ordered and bulk disordered regions that can give rise to an appreciable density gradient under certain simulated conditions. The overall volume fraction increases and falls within a narrow range as the driving force due to the electric field increasesmore » and repulsive intercolloidal interactions decrease. We postulate ordering and stacking within the initial layer(s) dramatically impacts the microstructure of the deposits. Finally, we find a combination of parameters, i.e., electric field and suspension properties, whose interplay enhances colloidal ordering beyond the commonly known approach of only reducing the driving force.« less

High resolution tsunami modelling for the evaluation of potential risk areas in Setúbal (Portugal)

NASA Astrophysics Data System (ADS)

Ribeiro, J.; Silva, A.; Leitão, P.

2011-08-01

The use of high resolution hydrodynamic modelling to simulate the potential effects of tsunami events can provide relevant information about the most probable inundation areas. Moreover, the consideration of complementary data such as the type of buildings, location of priority equipment, type of roads, enables mapping of the most vulnerable zones, computing of the expected damage on man-made structures, constrain of the definition of rescue areas and escape routes, adaptation of emergency plans and proper evaluation of the vulnerability associated with different areas and/or equipment. Such an approach was used to evaluate the specific risks associated with a potential occurrence of a tsunami event in the region of Setúbal (Portugal), which was one of the areas most seriously affected by the 1755 tsunami. In order to perform an evaluation of the hazard associated with the occurrence of a similar event, high resolution wave propagation simulations were performed considering different potential earthquake sources with different magnitudes. Based on these simulations, detailed inundation maps associated with the different events were produced. These results were combined with the available information on the vulnerability of the local infrastructures (building types, roads and streets characteristics, priority buildings) in order to impose restrictions in the production of high-scale potential damage maps, escape routes and emergency routes maps.

Optimal visual simulation of the self-tracking combustion of the infrared decoy based on the particle system

NASA Astrophysics Data System (ADS)

Hu, Qi; Duan, Jin; Wang, LiNing; Zhai, Di

2016-09-01

The high-efficiency simulation test of military weapons has a very important effect on the high cost of the actual combat test and the very demanding operational efficiency. Especially among the simulative emulation methods of the explosive smoke, the simulation method based on the particle system has generated much attention. In order to further improve the traditional simulative emulation degree of the movement process of the infrared decoy during the real combustion cycle, this paper, adopting the virtual simulation platform of OpenGL and Vega Prime and according to their own radiation characteristics and the aerodynamic characteristics of the infrared decoy, has simulated the dynamic fuzzy characteristics of the infrared decoy during the real combustion cycle by using particle system based on the double depth peeling algorithm and has solved key issues such as the interface, coordinate conversion and the retention and recovery of the Vega Prime's status. The simulation experiment has basically reached the expected improvement purpose, effectively improved the simulation fidelity and provided theoretical support for improving the performance of the infrared decoy.

Mesh Dependence on Shear Driven Boundary Layers in Stable Stratification Generated by Large Eddy-Simulation

NASA Astrophysics Data System (ADS)

Berg, Jacob; Patton, Edward G.; Sullivan, Peter S.

2017-11-01

The effect of mesh resolution and size on shear driven atmospheric boundary layers in a stable stratified environment is investigated with the NCAR pseudo-spectral LES model (J. Atmos. Sci. v68, p2395, 2011 and J. Atmos. Sci. v73, p1815, 2016). The model applies FFT in the two horizontal directions and finite differencing in the vertical direction. With vanishing heat flux at the surface and a capping inversion entraining potential temperature into the boundary layer the situation is often called the conditional neutral atmospheric boundary layer (ABL). Due to its relevance in high wind applications such as wind power meteorology, we emphasize on second order statistics important for wind turbines including spectral information. The simulations range from mesh sizes of 643 to 10243 grid points. Due to the non-stationarity of the problem, different simulations are compared at equal eddy-turnover times. Whereas grid convergence is mostly achieved in the middle portion of the ABL, statistics close to the surface of the ABL, where the presence of the ground limits the growth of the energy containing eddies, second order statistics are not converged on the studies meshes. Higher order structure functions also reveal non-Gaussian statistics highly dependent on the resolution.

Obscuring and Feeding Supermassive Black Holes with Evolving Nuclear Star Clusters

NASA Astrophysics Data System (ADS)

Schartmann, M.; Burkert, A.; Krause, M.; Camenzind, M.; Meisenheimer, K.; Davies, R. I.

2010-05-01

Recently, high-resolution observations made with the help of the near-infrared adaptive optics integral field spectrograph SINFONI at the VLT proved the existence of massive and young nuclear star clusters in the centers of a sample of Seyfert galaxies. With the help of high-resolution hydrodynamical simulations with the pluto code, we follow the evolution of such clusters, especially focusing on mass and energy feedback from young stars. This leads to a filamentary inflow of gas on large scales (tens of parsecs), whereas a turbulent and very dense disk builds up on the parsec scale. Here we concentrate on the long-term evolution of the nuclear disk in NGC 1068 with the help of an effective viscous disk model, using the mass input from the large-scale simulations and accounting for star formation in the disk. This two-stage modeling enables us to connect the tens-of-parsecs scale region (observable with SINFONI) with the parsec-scale environment (MIDI observations). At the current age of the nuclear star cluster, our simulations predict disk sizes of the order 0.8 to 0.9 pc, gas masses of order 106 M⊙, and mass transfer rates through the inner boundary of order 0.025 M⊙ yr-1, in good agreement with values derived from observations.

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

Computer simulation of a single pilot flying a modern high-performance helicopter

NASA Technical Reports Server (NTRS)

Zipf, Mark E.; Vogt, William G.; Mickle, Marlin H.; Hoelzeman, Ronald G.; Kai, Fei; Mihaloew, James R.

1988-01-01

Presented is a computer simulation of a human response pilot model able to execute operational flight maneuvers and vehicle stabilization of a modern high-performance helicopter. Low-order, single-variable, human response mechanisms, integrated to form a multivariable pilot structure, provide a comprehensive operational control over the vehicle. Evaluations of the integrated pilot were performed by direct insertion into a nonlinear, total-force simulation environment provided by NASA Lewis. Comparisons between the integrated pilot structure and single-variable pilot mechanisms are presented. Static and dynamically alterable configurations of the pilot structure are introduced to simulate pilot activities during vehicle maneuvers. These configurations, in conjunction with higher level, decision-making processes, are considered for use where guidance and navigational procedures, operational mode transfers, and resource sharing are required.

Coarse-grained modelling of triglyceride crystallisation: a molecular insight into tripalmitin tristearin binary mixtures by molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Pizzirusso, Antonio; Brasiello, Antonio; De Nicola, Antonio; Marangoni, Alejandro G.; Milano, Giuseppe

2015-12-01

The first simulation study of the crystallisation of a binary mixture of triglycerides using molecular dynamics simulations is reported. Coarse-grained models of tristearin (SSS) and tripalmitin (PPP) molecules have been considered. The models have been preliminarily tested in the crystallisation of pure SSS and PPP systems. Two different quenching procedures have been tested and their performances have been analysed. The structures obtained from the crystallisation procedures show a high orientation order and a high content of molecules in the tuning fork conformation, comparable with the crystalline α phase. The behaviour of melting temperatures for the α phase of the mixture SSS/PPP obtained from the simulations is in qualitative agreement with the behaviour that was experimentally determined.

Simulated Rainfall-Driven Dissolution of TNT, Tritonal, Comp B and Octol Particles

DTIC Science & Technology

2009-01-01

Comp B a b s t r a c t Live-fire military training can deposit millimeter- sized particles of high explosives (HE) on surface soils when rounds do not...might dissolve under the action of rainfall and to use the data to verify a model that predicts HE dissolution as a function of particle size , particle...Detonations scatter HE particles broadly over surface soils. High-order detonations scatter lm- size HE particles and low-order (LO) detonations scatter

Inertial confinement fusion quarterly report, October--December 1992. Volume 3, No. 1

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

Dixit, S.N.

1992-12-31

This report contains papers on the following topics: The Beamlet Front End: Prototype of a new pulse generation system;imaging biological objects with x-ray lasers; coherent XUV generation via high-order harmonic generation in rare gases; theory of high-order harmonic generation; two-dimensional computer simulations of ultra- intense, short-pulse laser-plasma interactions; neutron detectors for measuring the fusion burn history of ICF targets; the recirculator; and lasnex evolves to exploit computer industry advances.

Photonic heterostructure High Contrast Grating as a novel polarization control and light confinement system in HCG VCSEL

NASA Astrophysics Data System (ADS)

Gebski, M.; Dems, M.; Chen, J.; Qijie, W.; Dao Hua, Z.; Czyszanowski, T.

2014-05-01

In this paper we present results of computer optical simulations of VCSEL with modified high refractive index contrast grating (HCG) as a top mirror. We consider the HCG of two different designs which determine the lateral aperture. Such HCG mirror provides selective guiding effect. We show that proper design of aperture of HCG results in almost sixfold increase in cavity Q-factor for zero order mode and a discrimination of higher order modes.

Blurring the boundary between rapid granular flow and dense granular flow regimes: Evidence from DEM simulations

NASA Astrophysics Data System (ADS)

Tripathi, Anurag; Prasad, Mahesh; Kumar, Puneet

2017-11-01

The saturation of the effective friction coefficient for granular flows at high inertial numbers has been assumed widely by researchers, despite little simulation/experimental evidence. In contrast, a recent simulation study of plane shear flows by Mandal and Khakhar, suggests that the effective friction coefficient becomes maximum and then starts to decrease with increase in the inertial number for I > 0.5 . In order to investigate whether such a dip at higher inertial numbers is indeed a feature of granular rheology, we perform DEM simulations of chute flow of highly inelastic disks. We show that steady, fully developed flows are possible at inclinations much higher than those normally reported in literature. At such high inclinations, the flow is characterised by a significant slip at the base; the height of the layer increases by more than 300 % and kinetic energy of the layer increases by nearly 5 orders of magnitude. We observe, for the first time, steady chute flows at inertial number I 2 and show that the dip at higher inertial numbers can be observed in case of chute flow as well. The predictions of modified μ - I rheology, however, seem to remain valid in the bulk of the layer for packing fractions as low as 0.2. AT acknowledges the funding obtained from IIT Kanpur through the initiation Grant for this study.

Directional enhancement of selected high-order-harmonics from intense laser irradiated blazed grating targets.

PubMed

Zhang, Guobo; Chen, Min; Liu, Feng; Yuan, Xiaohui; Weng, Suming; Zheng, Jun; Ma, Yanyun; Shao, Fuqiu; Sheng, Zhengming; Zhang, Jie

2017-10-02

Relativistically intense laser solid target interaction has been proved to be a promising way to generate high-order harmonics, which can be used to diagnose ultrafast phenomena. However, their emission direction and spectra still lack tunability. Based upon two-dimensional particle-in-cell simulations, we show that directional enhancement of selected high-order-harmonics can be realized using blazed grating targets. Such targets can select harmonics with frequencies being integer times of the grating frequency. Meanwhile, the radiation intensity and emission area of the harmonics are increased. The emission direction is controlled by tailoring the local blazed structure. Theoretical and electron dynamics analysis for harmonics generation, selection and directional enhancement from the interaction between multi-cycle laser and grating target are carried out. These studies will benefit the generation and application of laser plasma-based high order harmonics.

The effect of different solar simulators on the measurement of short-circuit current temperature coefficients

NASA Technical Reports Server (NTRS)

Curtis, H. B.; Hart, R. E., Jr.

1982-01-01

Gallium arsenide solar cells are considered for several high temperature missions in space. Both near-Sun and concentrator missions could involve cell temperatures on the order of 200 C. Performance measurements of cells at elevated temperatures are usually made using simulated sunlight and a matched reference cell. Due to the change in bandgap with increasing temperature at portions of the spectrum where considerable simulated irradiance is present, there are significant differences in measured short circuit current at elevated temperatures among different simulators. To illustrate this, both experimental and theoretical data are presented for gallium arsenide cells.

High-order dispersion effects in two-photon interference

NASA Astrophysics Data System (ADS)

Mazzotta, Zeudi; Cialdi, Simone; Cipriani, Daniele; Olivares, Stefano; Paris, Matteo G. A.

2016-12-01

Two-photon interference and Hong-Ou-Mandel (HOM) effect are relevant tools for quantum metrology and quantum information processing. In optical coherence tomography, the HOM effect is exploited to achieve high-resolution measurements with the width of the HOM dip being the main parameter. On the other hand, applications like dense coding require high-visibility performance. Here we address high-order dispersion effects in two-photon interference and study, theoretically and experimentally, the dependence of the visibility and the width of the HOM dip on both the pump spectrum and the downconverted photon spectrum. In particular, a spatial light modulator is exploited to experimentally introduce and manipulate a custom phase function to simulate the high-order dispersion effects. Overall, we show that it is possible to effectively introduce high-order dispersion effects on the propagation of photons and also to compensate for such effect. Our results clarify the role of the different dispersion phenomena and pave the way for optimization procedures in quantum technological applications involving PDC photons and optical fibers.

A social cybernetic analysis of simulation-based, remotely delivered medical skills training in an austere environment: developing a test bed for spaceflight medicine.

PubMed

Musson, David M; Doyle, Thomas E

2012-01-01

This paper describes analysis of medical skills training exercises that were conducted at an arctic research station. These were conducted as part of an ongoing effort to establish high fidelity medical simulation test bed capabilities in remote and extreme "space analogue" environments for the purpose studying medical care in spaceflight. The methodological orientation followed by the authors is that of "second order cybernetics," or the science of studying human systems where the observer is involved within the system in question. Analyses presented include the identification of three distinct phases of the training activity, and two distinct levels of work groups-- termed "first-order teams" and "second-order teams." Depending on the phase of activity, first-order and second-order teams are identified, each having it own unique structure, composition, communications, goals, and challenges. Several specific teams are highlighted as case examples. Limitations of this approach are discussed, as are potential benefits to ongoing and planned research activity in this area.

User Interface Developed for Controls/CFD Interdisciplinary Research

NASA Technical Reports Server (NTRS)

1996-01-01

The NASA Lewis Research Center, in conjunction with the University of Akron, is developing analytical methods and software tools to create a cross-discipline "bridge" between controls and computational fluid dynamics (CFD) technologies. Traditionally, the controls analyst has used simulations based on large lumping techniques to generate low-order linear models convenient for designing propulsion system controls. For complex, high-speed vehicles such as the High Speed Civil Transport (HSCT), simulations based on CFD methods are required to capture the relevant flow physics. The use of CFD should also help reduce the development time and costs associated with experimentally tuning the control system. The initial application for this research is the High Speed Civil Transport inlet control problem. A major aspect of this research is the development of a controls/CFD interface for non-CFD experts, to facilitate the interactive operation of CFD simulations and the extraction of reduced-order, time-accurate models from CFD results. A distributed computing approach for implementing the interface is being explored. Software being developed as part of the Integrated CFD and Experiments (ICE) project provides the basis for the operating environment, including run-time displays and information (data base) management. Message-passing software is used to communicate between the ICE system and the CFD simulation, which can reside on distributed, parallel computing systems. Initially, the one-dimensional Large-Perturbation Inlet (LAPIN) code is being used to simulate a High Speed Civil Transport type inlet. LAPIN can model real supersonic inlet features, including bleeds, bypasses, and variable geometry, such as translating or variable-ramp-angle centerbodies. Work is in progress to use parallel versions of the multidimensional NPARC code.

Reduced order surrogate modelling (ROSM) of high dimensional deterministic simulations

NASA Astrophysics Data System (ADS)

Mitry, Mina

Often, computationally expensive engineering simulations can prohibit the engineering design process. As a result, designers may turn to a less computationally demanding approximate, or surrogate, model to facilitate their design process. However, owing to the the curse of dimensionality, classical surrogate models become too computationally expensive for high dimensional data. To address this limitation of classical methods, we develop linear and non-linear Reduced Order Surrogate Modelling (ROSM) techniques. Two algorithms are presented, which are based on a combination of linear/kernel principal component analysis and radial basis functions. These algorithms are applied to subsonic and transonic aerodynamic data, as well as a model for a chemical spill in a channel. The results of this thesis show that ROSM can provide a significant computational benefit over classical surrogate modelling, sometimes at the expense of a minor loss in accuracy.

A task-based parallelism and vectorized approach to 3D Method of Characteristics (MOC) reactor simulation for high performance computing architectures

NASA Astrophysics Data System (ADS)

Tramm, John R.; Gunow, Geoffrey; He, Tim; Smith, Kord S.; Forget, Benoit; Siegel, Andrew R.

2016-05-01

In this study we present and analyze a formulation of the 3D Method of Characteristics (MOC) technique applied to the simulation of full core nuclear reactors. Key features of the algorithm include a task-based parallelism model that allows independent MOC tracks to be assigned to threads dynamically, ensuring load balancing, and a wide vectorizable inner loop that takes advantage of modern SIMD computer architectures. The algorithm is implemented in a set of highly optimized proxy applications in order to investigate its performance characteristics on CPU, GPU, and Intel Xeon Phi architectures. Speed, power, and hardware cost efficiencies are compared. Additionally, performance bottlenecks are identified for each architecture in order to determine the prospects for continued scalability of the algorithm on next generation HPC architectures.

Tempest - Efficient Computation of Atmospheric Flows Using High-Order Local Discretization Methods

NASA Astrophysics Data System (ADS)

Ullrich, P. A.; Guerra, J. E.

2014-12-01

The Tempest Framework composes several compact numerical methods to easily facilitate intercomparison of atmospheric flow calculations on the sphere and in rectangular domains. This framework includes the implementations of Spectral Elements, Discontinuous Galerkin, Flux Reconstruction, and Hybrid Finite Element methods with the goal of achieving optimal accuracy in the solution of atmospheric problems. Several advantages of this approach are discussed such as: improved pressure gradient calculation, numerical stability by vertical/horizontal splitting, arbitrary order of accuracy, etc. The local numerical discretization allows for high performance parallel computation and efficient inclusion of parameterizations. These techniques are used in conjunction with a non-conformal, locally refined, cubed-sphere grid for global simulations and standard Cartesian grids for simulations at the mesoscale. A complete implementation of the methods described is demonstrated in a non-hydrostatic setting.

Kinetic Simulations of the Lowest-order Unstable Mode of Relativistic Magnetostatic Equilibria

NASA Astrophysics Data System (ADS)

Nalewajko, Krzysztof; Zrake, Jonathan; Yuan, Yajie; East, William E.; Blandford, Roger D.

2016-08-01

We present the results of particle-in-cell numerical pair plasma simulations of relativistic two-dimensional magnetostatic equilibria known as the “Arnold-Beltrami-Childress” fields. In particular, we focus on the lowest-order unstable configuration consisting of two minima and two maxima of the magnetic vector potential. Breaking of the initial symmetry leads to exponential growth of the electric energy and to the formation of two current layers, which is consistent with the picture of “X-point collapse” first described by Syrovatskii. Magnetic reconnection within the layers heats a fraction of particles to very high energies. After the saturation of the linear instability, the current layers are disrupted and the system evolves chaotically, diffusing the particle energies in a stochastic second-order Fermi process, leading to the formation of power-law energy distributions. The power-law slopes harden with the increasing mean magnetization, but they are significantly softer than those produced in simulations initiated from Harris-type layers. The maximum particle energy is proportional to the mean magnetization, which is attributed partly to the increase of the effective electric field and partly to the increase of the acceleration timescale. We describe in detail the evolving structure of the dynamical current layers and report on the conservation of magnetic helicity. These results can be applied to highly magnetized astrophysical environments, where ideal plasma instabilities trigger rapid magnetic dissipation with efficient particle acceleration and flares of high-energy radiation.

KINETIC SIMULATIONS OF THE LOWEST-ORDER UNSTABLE MODE OF RELATIVISTIC MAGNETOSTATIC EQUILIBRIA

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

Nalewajko, Krzysztof; Zrake, Jonathan; Yuan, Yajie

2016-08-01

We present the results of particle-in-cell numerical pair plasma simulations of relativistic two-dimensional magnetostatic equilibria known as the “Arnold–Beltrami–Childress” fields. In particular, we focus on the lowest-order unstable configuration consisting of two minima and two maxima of the magnetic vector potential. Breaking of the initial symmetry leads to exponential growth of the electric energy and to the formation of two current layers, which is consistent with the picture of “X-point collapse” first described by Syrovatskii. Magnetic reconnection within the layers heats a fraction of particles to very high energies. After the saturation of the linear instability, the current layers aremore » disrupted and the system evolves chaotically, diffusing the particle energies in a stochastic second-order Fermi process, leading to the formation of power-law energy distributions. The power-law slopes harden with the increasing mean magnetization, but they are significantly softer than those produced in simulations initiated from Harris-type layers. The maximum particle energy is proportional to the mean magnetization, which is attributed partly to the increase of the effective electric field and partly to the increase of the acceleration timescale. We describe in detail the evolving structure of the dynamical current layers and report on the conservation of magnetic helicity. These results can be applied to highly magnetized astrophysical environments, where ideal plasma instabilities trigger rapid magnetic dissipation with efficient particle acceleration and flares of high-energy radiation.« less

Electrodynamic characterisitcs measurements of higher order modes in S-band cavity

NASA Astrophysics Data System (ADS)

Donetsky, R.; Lalayan, M.; Sobenin, N. P.; Orlov, A.; Bulygin, A.

2017-12-01

The 800 MHz superconducting cavities with grooved beam pipes were suggested as one of the harmonic cavities design options for High Luminosity LHC project. Cavity simulations were carried out and scaled aluminium prototype having operational mode frequency of 2400 MHz was manufactured for testing the results of simulations. The experimental measurements of transverse shunt impedance with error estimation for higher order modes TM 110 and TE 111 for S-band elliptical cavity were done. The experiments using dielectric and metallic spherical beads and with ring probe were carried out. The Q-factor measurements for two-cell structure and array of two cells were carried out.

Development and application of a local linearization algorithm for the integration of quaternion rate equations in real-time flight simulation problems

NASA Technical Reports Server (NTRS)

Barker, L. E., Jr.; Bowles, R. L.; Williams, L. H.

1973-01-01

High angular rates encountered in real-time flight simulation problems may require a more stable and accurate integration method than the classical methods normally used. A study was made to develop a general local linearization procedure of integrating dynamic system equations when using a digital computer in real-time. The procedure is specifically applied to the integration of the quaternion rate equations. For this application, results are compared to a classical second-order method. The local linearization approach is shown to have desirable stability characteristics and gives significant improvement in accuracy over the classical second-order integration methods.

Simulation of Turbine Tone Noise Generation Using a Turbomachinery Aerodynamics Solver

NASA Technical Reports Server (NTRS)

VanZante, Dale; Envia, Edmane

2010-01-01

As turbofan engine bypass ratios continue to increase, the contribution of the turbine to the engine noise signature is receiving more attention. Understanding the relative importance of the various turbine noise generation mechanisms and the characteristics of the turbine acoustic transmission loss are essential ingredients in developing robust reduced-order models for predicting the turbine noise signature. A computationally based investigation has been undertaken to help guide the development of a turbine noise prediction capability that does not rely on empiricism. As proof-of-concept for this approach, two highly detailed numerical simulations of the unsteady flow field inside the first stage of a modern high-pressure turbine were carried out. The simulations were computed using TURBO, which is an unsteady Reynolds-Averaged Navier-Stokes code capable of multi-stage simulations. Spectral and modal analysis of the unsteady pressure data from the numerical simulation of the turbine stage show a circumferential modal distribution that is consistent with the Tyler-Sofrin rule. Within the high-pressure turbine, the interaction of velocity, pressure and temperature fluctuations with the downstream blade rows are all possible tone noise source mechanisms. We have taken the initial step in determining the source strength hierarchy by artificially reducing the level of temperature fluctuations in the turbine flowfield. This was accomplished by changing the vane cooling flow temperature in order to mitigate the vane thermal wake in the second of the two simulations. The results indicated that, despite a dramatic change in the vane cooling flow, the computed modal levels changed very little indicating that the contribution of temperature fluctuations to the overall pressure field is rather small compared with the viscous and potential field interaction mechanisms.

High-performance fractional order terminal sliding mode control strategy for DC-DC Buck converter

PubMed Central

Xu, Dan; Zhou, Huan; Bai, Anning; Lu, Wei

2017-01-01

This paper presents an adaption of the fractional order terminal sliding mode control (AFTSMC) strategy for DC-DC Buck converter. The following strategy aims to design a novel nonlinear sliding surface function, with a double closed-loop structure of voltage and current. This strategy is a fusion of two characteristics: terminal sliding mode control (TSMC) and fractional order calculation (FOC). In addition, the influence of “the controller parameters” on the “performance of double closed-loop system” is investigated. It is observed that the value of terminal power has to be chosen to make a compromise between start-up and transient response of the converter. Therefore the AFTSMC strategy chooses the value of the terminal power adaptively, and this strategy can lead to the appropriate number of fractional order as well. Furthermore, through the fractional order analysis, the system can reach the sliding mode surface in a finite time. And the theoretical considerations are verified by numerical simulation. The performance of the AFTSMC and TSMC strategies is tested by computer simulations. And the comparison simulation results show that the AFTSMC exhibits a considerable improvement in terms of a faster output voltage response during load changes. Moreover, AFTSMC obtains a faster dynamical response, smaller steady-state error rate and lower overshoot. PMID:29084255

High-performance fractional order terminal sliding mode control strategy for DC-DC Buck converter.

PubMed

Wang, Jianlin; Xu, Dan; Zhou, Huan; Bai, Anning; Lu, Wei

2017-01-01

This paper presents an adaption of the fractional order terminal sliding mode control (AFTSMC) strategy for DC-DC Buck converter. The following strategy aims to design a novel nonlinear sliding surface function, with a double closed-loop structure of voltage and current. This strategy is a fusion of two characteristics: terminal sliding mode control (TSMC) and fractional order calculation (FOC). In addition, the influence of "the controller parameters" on the "performance of double closed-loop system" is investigated. It is observed that the value of terminal power has to be chosen to make a compromise between start-up and transient response of the converter. Therefore the AFTSMC strategy chooses the value of the terminal power adaptively, and this strategy can lead to the appropriate number of fractional order as well. Furthermore, through the fractional order analysis, the system can reach the sliding mode surface in a finite time. And the theoretical considerations are verified by numerical simulation. The performance of the AFTSMC and TSMC strategies is tested by computer simulations. And the comparison simulation results show that the AFTSMC exhibits a considerable improvement in terms of a faster output voltage response during load changes. Moreover, AFTSMC obtains a faster dynamical response, smaller steady-state error rate and lower overshoot.

Development of a Robust and Efficient Parallel Solver for Unsteady Turbomachinery Flows

NASA Technical Reports Server (NTRS)

West, Jeff; Wright, Jeffrey; Thakur, Siddharth; Luke, Ed; Grinstead, Nathan

2012-01-01

The traditional design and analysis practice for advanced propulsion systems relies heavily on expensive full-scale prototype development and testing. Over the past decade, use of high-fidelity analysis and design tools such as CFD early in the product development cycle has been identified as one way to alleviate testing costs and to develop these devices better, faster and cheaper. In the design of advanced propulsion systems, CFD plays a major role in defining the required performance over the entire flight regime, as well as in testing the sensitivity of the design to the different modes of operation. Increased emphasis is being placed on developing and applying CFD models to simulate the flow field environments and performance of advanced propulsion systems. This necessitates the development of next generation computational tools which can be used effectively and reliably in a design environment. The turbomachinery simulation capability presented here is being developed in a computational tool called Loci-STREAM [1]. It integrates proven numerical methods for generalized grids and state-of-the-art physical models in a novel rule-based programming framework called Loci [2] which allows: (a) seamless integration of multidisciplinary physics in a unified manner, and (b) automatic handling of massively parallel computing. The objective is to be able to routinely simulate problems involving complex geometries requiring large unstructured grids and complex multidisciplinary physics. An immediate application of interest is simulation of unsteady flows in rocket turbopumps, particularly in cryogenic liquid rocket engines. The key components of the overall methodology presented in this paper are the following: (a) high fidelity unsteady simulation capability based on Detached Eddy Simulation (DES) in conjunction with second-order temporal discretization, (b) compliance with Geometric Conservation Law (GCL) in order to maintain conservative property on moving meshes for second-order time-stepping scheme, (c) a novel cloud-of-points interpolation method (based on a fast parallel kd-tree search algorithm) for interfaces between turbomachinery components in relative motion which is demonstrated to be highly scalable, and (d) demonstrated accuracy and parallel scalability on large grids (approx 250 million cells) in full turbomachinery geometries.

IoGET: Internet of Geophysical and Environmental Things

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

Mudunuru, Maruti Kumar

The objective of this project is to provide novel and fast reduced-order models for onboard computation at sensor nodes for real-time analysis. The approach will require that LANL perform high-fidelity numerical simulations, construct simple reduced-order models (ROMs) using machine learning and signal processing algorithms, and use real-time data analysis for ROMs and compressive sensing at sensor nodes.

High-order Spatio-temporal Schemes for Coupled, Multi-physics Reactor Simulations

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

Mr. Vijay S. Mahadevan; Dr. Jean C. Ragusa

2008-09-01

This report summarizes the work done in the summer of 08 by the Ph.D. student Vijay Mahadevan. The main focus of the work was to coupled 3-D neutron difusion to 3-D heat conduction in parallel with accuracy greater than or equal to 2nd order in space and time. Results show that the goal was attained.

Reduced-Order Modeling for Flutter/LCO Using Recurrent Artificial Neural Network

NASA Technical Reports Server (NTRS)

Yao, Weigang; Liou, Meng-Sing

2012-01-01

The present study demonstrates the efficacy of a recurrent artificial neural network to provide a high fidelity time-dependent nonlinear reduced-order model (ROM) for flutter/limit-cycle oscillation (LCO) modeling. An artificial neural network is a relatively straightforward nonlinear method for modeling an input-output relationship from a set of known data, for which we use the radial basis function (RBF) with its parameters determined through a training process. The resulting RBF neural network, however, is only static and is not yet adequate for an application to problems of dynamic nature. The recurrent neural network method [1] is applied to construct a reduced order model resulting from a series of high-fidelity time-dependent data of aero-elastic simulations. Once the RBF neural network ROM is constructed properly, an accurate approximate solution can be obtained at a fraction of the cost of a full-order computation. The method derived during the study has been validated for predicting nonlinear aerodynamic forces in transonic flow and is capable of accurate flutter/LCO simulations. The obtained results indicate that the present recurrent RBF neural network is accurate and efficient for nonlinear aero-elastic system analysis

Parallel high-precision orbit propagation using the modified Picard-Chebyshev method

NASA Astrophysics Data System (ADS)

Koblick, Darin C.

2012-03-01

The modified Picard-Chebyshev method, when run in parallel, is thought to be more accurate and faster than the most efficient sequential numerical integration techniques when applied to orbit propagation problems. Previous experiments have shown that the modified Picard-Chebyshev method can have up to a one order magnitude speedup over the 12th order Runge-Kutta-Nystrom method. For this study, the evaluation of the accuracy and computational time of the modified Picard-Chebyshev method, using the Java Astrodynamics Toolkit high-precision force model, is conducted to assess its runtime performance. Simulation results of the modified Picard-Chebyshev method, implemented in MATLAB and the MATLAB Parallel Computing Toolbox, are compared against the most efficient first and second order Ordinary Differential Equation (ODE) solvers. A total of six processors were used to assess the runtime performance of the modified Picard-Chebyshev method. It was found that for all orbit propagation test cases, where the gravity model was simulated to be of higher degree and order (above 225 to increase computational overhead), the modified Picard-Chebyshev method was faster, by as much as a factor of two, than the other ODE solvers which were tested.

Numerical Methods of Computational Electromagnetics for Complex Inhomogeneous Systems

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

Cai, Wei

Understanding electromagnetic phenomena is the key in many scientific investigation and engineering designs such as solar cell designs, studying biological ion channels for diseases, and creating clean fusion energies, among other things. The objectives of the project are to develop high order numerical methods to simulate evanescent electromagnetic waves occurring in plasmon solar cells and biological ion-channels, where local field enhancement within random media in the former and long range electrostatic interactions in the latter are of major challenges for accurate and efficient numerical computations. We have accomplished these objectives by developing high order numerical methods for solving Maxwell equationsmore » such as high order finite element basis for discontinuous Galerkin methods, well-conditioned Nedelec edge element method, divergence free finite element basis for MHD, and fast integral equation methods for layered media. These methods can be used to model the complex local field enhancement in plasmon solar cells. On the other hand, to treat long range electrostatic interaction in ion channels, we have developed image charge based method for a hybrid model in combining atomistic electrostatics and continuum Poisson-Boltzmann electrostatics. Such a hybrid model will speed up the molecular dynamics simulation of transport in biological ion-channels.« less

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.

Simulation of non-linear acoustic field and thermal pattern of phased-array high-intensity focused ultrasound (HIFU).

PubMed

Wang, Mingjun; Zhou, Yufeng

2016-08-01

HIFU becomes an effective and non-invasive modality of solid tumour/cancer ablation. Simulation of the non-linear acoustic wave propagation using a phased-array transducer in multiple layered media using different focusing strategies and the consequent lesion formation are essential in HIFU planning in order to enhance the efficacy and efficiency of treatment. An angular spectrum approach with marching fractional steps was applied in the wave propagation from phased-array HIFU transducer, and diffraction, attenuation, and non-linearity effects were accounted for by a second-order operator splitting scheme. The simulated distributions of the first three harmonics along and transverse to the transducer axis were compared to the hydrophone measurements. The bioheat equation was used to simulate the subsequent temperature elevation using the deposited acoustic energy, and lesion formation was determined by the thermal dose. Better agreement was found between the measured harmonics distribution and simulation using the proposed algorithm than the Khokhlov-Zabozotskaya-Kuznetsov equation. Variable focusing of the phased-array transducer (geometric focusing, transverse shifting and the generation of multiple foci) can be simulated successfully. The shifting and splitting of focus was found to result in significantly less temperature elevation at the focus and the subsequently, the smaller lesion size, but the larger grating lobe grating lobe in the pre-focal region. The proposed algorithm could simulate the non-linear wave propagation from the source with arbitrary shape and distribution of excitation through multiple tissue layers in high computation accuracy. The performance of phased-array HIFU can be optimised in the treatment planning.

Simulation of hydrodynamics using large eddy simulation-second-order moment model in circulating fluidized beds

NASA Astrophysics Data System (ADS)

Juhui, Chen; Yanjia, Tang; Dan, Li; Pengfei, Xu; Huilin, Lu

2013-07-01

Flow behavior of gas and particles is predicted by the large eddy simulation of gas-second order moment of solid model (LES-SOM model) in the simulation of flow behavior in CFB. This study shows that the simulated solid volume fractions along height using a two-dimensional model are in agreement with experiments. The velocity, volume fraction and second-order moments of particles are computed. The second-order moments of clusters are calculated. The solid volume fraction, velocity and second order moments are compared at the three different model constants.

Analysis of Adaptive Mesh Refinement for IMEX Discontinuous Galerkin Solutions of the Compressible Euler Equations with Application to Atmospheric Simulations

DTIC Science & Technology

2013-01-01

ξi be the Legendre -Gauss-Lobatto (LGL) points defined as the roots of (1 − ξ2)P ′N (ξ) = 0, where PN (ξ) is the N th order Legendre polynomial . The...mesh refinement. By expanding the solution in a basis of high order polynomials in each element, one can dynamically adjust the order of these basis...on refining the mesh while keeping the polynomial order constant across the elements. If we choose to allow non-conforming elements, the challenge in

Estimating short-period dynamics using an extended Kalman filter

NASA Technical Reports Server (NTRS)

Bauer, Jeffrey E.; Andrisani, Dominick

1990-01-01

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

Dynamic earthquake rupture simulations on nonplanar faults embedded in 3D geometrically complex, heterogeneous elastic solids

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

Duru, Kenneth, E-mail: kduru@stanford.edu; Dunham, Eric M.; Institute for Computational and Mathematical Engineering, Stanford University, Stanford, CA

Dynamic propagation of shear ruptures on a frictional interface in an elastic solid is a useful idealization of natural earthquakes. The conditions relating discontinuities in particle velocities across fault zones and tractions acting on the fault are often expressed as nonlinear friction laws. The corresponding initial boundary value problems are both numerically and computationally challenging. In addition, seismic waves generated by earthquake ruptures must be propagated for many wavelengths away from the fault. Therefore, reliable and efficient numerical simulations require both provably stable and high order accurate numerical methods. We present a high order accurate finite difference method for: a)more » enforcing nonlinear friction laws, in a consistent and provably stable manner, suitable for efficient explicit time integration; b) dynamic propagation of earthquake ruptures along nonplanar faults; and c) accurate propagation of seismic waves in heterogeneous media with free surface topography. We solve the first order form of the 3D elastic wave equation on a boundary-conforming curvilinear mesh, in terms of particle velocities and stresses that are collocated in space and time, using summation-by-parts (SBP) finite difference operators in space. Boundary and interface conditions are imposed weakly using penalties. By deriving semi-discrete energy estimates analogous to the continuous energy estimates we prove numerical stability. The finite difference stencils used in this paper are sixth order accurate in the interior and third order accurate close to the boundaries. However, the method is applicable to any spatial operator with a diagonal norm satisfying the SBP property. Time stepping is performed with a 4th order accurate explicit low storage Runge–Kutta scheme, thus yielding a globally fourth order accurate method in both space and time. We show numerical simulations on band limited self-similar fractal faults revealing the complexity of rupture dynamics on rough faults.« less

Dynamic earthquake rupture simulations on nonplanar faults embedded in 3D geometrically complex, heterogeneous elastic solids

NASA Astrophysics Data System (ADS)

Duru, Kenneth; Dunham, Eric M.

2016-01-01

Dynamic propagation of shear ruptures on a frictional interface in an elastic solid is a useful idealization of natural earthquakes. The conditions relating discontinuities in particle velocities across fault zones and tractions acting on the fault are often expressed as nonlinear friction laws. The corresponding initial boundary value problems are both numerically and computationally challenging. In addition, seismic waves generated by earthquake ruptures must be propagated for many wavelengths away from the fault. Therefore, reliable and efficient numerical simulations require both provably stable and high order accurate numerical methods. We present a high order accurate finite difference method for: a) enforcing nonlinear friction laws, in a consistent and provably stable manner, suitable for efficient explicit time integration; b) dynamic propagation of earthquake ruptures along nonplanar faults; and c) accurate propagation of seismic waves in heterogeneous media with free surface topography. We solve the first order form of the 3D elastic wave equation on a boundary-conforming curvilinear mesh, in terms of particle velocities and stresses that are collocated in space and time, using summation-by-parts (SBP) finite difference operators in space. Boundary and interface conditions are imposed weakly using penalties. By deriving semi-discrete energy estimates analogous to the continuous energy estimates we prove numerical stability. The finite difference stencils used in this paper are sixth order accurate in the interior and third order accurate close to the boundaries. However, the method is applicable to any spatial operator with a diagonal norm satisfying the SBP property. Time stepping is performed with a 4th order accurate explicit low storage Runge-Kutta scheme, thus yielding a globally fourth order accurate method in both space and time. We show numerical simulations on band limited self-similar fractal faults revealing the complexity of rupture dynamics on rough faults.

Novel disturbance-observer-based control for systems with high-order mismatched disturbances

NASA Astrophysics Data System (ADS)

Fang, Xing; Liu, Fei; Wang, Zhiguo; Dong, Na

2018-01-01

A novel disturbance-observer-based control method is investigated to attenuate the high-order mismatched disturbances. First, a finite-time disturbance observer (FTDO) is proposed to estimate the disturbances as well as the derivatives. By incorporating the outputs of FTDO, the original system is then reconstructed, where the mismatched disturbances are transformed to the matched ones that are compensated by feed-forward algorithm. Moreover, a feedback control law is developed to achieve the stability and tracking performance requirements for the systems. Finally, the proposed composite control method is applied to an unmanned helicopter system. The simulation results demonstrate that the proposed control method exhibits excellent control performance in the presence of high-order matched and mismatched disturbances.

Simulation of Deep Convective Clouds with the Dynamic Reconstruction Turbulence Closure

NASA Astrophysics Data System (ADS)

Shi, X.; Chow, F. K.; Street, R. L.; Bryan, G. H.

2017-12-01

The terra incognita (TI), or gray zone, in simulations is a range of grid spacing comparable to the most energetic eddy diameter. Spacing in mesoscale and simulations is much larger than the eddies, and turbulence is parameterized with one-dimensional vertical-mixing. Large eddy simulations (LES) have grid spacing much smaller than the energetic eddies, and use three-dimensional models of turbulence. Studies of convective weather use convection-permitting resolutions, which are in the TI. Neither mesoscale-turbulence nor LES models are designed for the TI, so TI turbulence parameterization needs to be discussed. Here, the effects of sub-filter scale (SFS) closure schemes on the simulation of deep tropical convection are evaluated by comparing three closures, i.e. Smagorinsky model, Deardorff-type TKE model and the dynamic reconstruction model (DRM), which partitions SFS turbulence into resolvable sub-filter scales (RSFS) and unresolved sub-grid scales (SGS). The RSFS are reconstructed, and the SGS are modeled with a dynamic eddy viscosity/diffusivity model. The RSFS stresses/fluxes allow backscatter of energy/variance via counter-gradient stresses/fluxes. In high-resolution (100m) simulations of tropical convection use of these turbulence models did not lead to significant differences in cloud water/ice distribution, precipitation flux, or vertical fluxes of momentum and heat. When model resolutions are coarsened, the Smagorinsky and TKE models overestimate cloud ice and produces large-amplitude downward heat flux in the middle troposphere (not found in the high-resolution simulations). This error is a result of unrealistically large eddy diffusivities, i.e., the eddy diffusivity of the DRM is on the order of 1 for the coarse resolution simulations, the eddy diffusivity of the Smagorinsky and TKE model is on the order of 100. Splitting the eddy viscosity/diffusivity scalars into vertical and horizontal components by using different length scales and strain rate components helps to reduce the errors, but does not completely remedy the problem. In contrast, the coarse resolution simulations using the DRM produce results that are more consistent with the high-resolution results, suggesting that the DRM is a more appropriate turbulence model for simulating convection in the TI.

A parallel finite element simulator for ion transport through three-dimensional ion channel systems.

PubMed

Tu, Bin; Chen, Minxin; Xie, Yan; Zhang, Linbo; Eisenberg, Bob; Lu, Benzhuo

2013-09-15

A parallel finite element simulator, ichannel, is developed for ion transport through three-dimensional ion channel systems that consist of protein and membrane. The coordinates of heavy atoms of the protein are taken from the Protein Data Bank and the membrane is represented as a slab. The simulator contains two components: a parallel adaptive finite element solver for a set of Poisson-Nernst-Planck (PNP) equations that describe the electrodiffusion process of ion transport, and a mesh generation tool chain for ion channel systems, which is an essential component for the finite element computations. The finite element method has advantages in modeling irregular geometries and complex boundary conditions. We have built a tool chain to get the surface and volume mesh for ion channel systems, which consists of a set of mesh generation tools. The adaptive finite element solver in our simulator is implemented using the parallel adaptive finite element package Parallel Hierarchical Grid (PHG) developed by one of the authors, which provides the capability of doing large scale parallel computations with high parallel efficiency and the flexibility of choosing high order elements to achieve high order accuracy. The simulator is applied to a real transmembrane protein, the gramicidin A (gA) channel protein, to calculate the electrostatic potential, ion concentrations and I - V curve, with which both primitive and transformed PNP equations are studied and their numerical performances are compared. To further validate the method, we also apply the simulator to two other ion channel systems, the voltage dependent anion channel (VDAC) and α-Hemolysin (α-HL). The simulation results agree well with Brownian dynamics (BD) simulation results and experimental results. Moreover, because ionic finite size effects can be included in PNP model now, we also perform simulations using a size-modified PNP (SMPNP) model on VDAC and α-HL. It is shown that the size effects in SMPNP can effectively lead to reduced current in the channel, and the results are closer to BD simulation results. Copyright © 2013 Wiley Periodicals, Inc.

Low Cost Embedded Controlled Full Bridge LC Parallel Resonant Converter

NASA Astrophysics Data System (ADS)

Chandrasekhar, P.; Reddy, S.

2009-01-01

In this paper the converter requirements for an optimum control of an electrolyser linked with a DC bus are analyzed and discussed. An electrolyser is a part of renewable energy system which generates hydrogen from water electrolysis. The hydrogen generating device is part of a complex system constituted by a supplying photovoltaic plant, the grid and a fuel cell battery. The characterization in several operative conditions of an actual industrial electrolyser is carried out in order to design and optimize the DC/DC converter. A dedicated zero voltage switching DC/DC converter is presented and simulated inside the context of the distributed energy production and storage system. The proposed supplying converter gives a stable output voltage and high circuit efficiency in all the proposed simulated scenarios. The adopted DC/DC converter is realized in a full-bridge topology technique in order to achieve zero voltage switching for the power switches and to regulate the output voltage. This converter has advantages like high power density, low EMI and reduced switching stresses. The simulation results are verified with the experimental results.

Multigrid direct numerical simulation of the whole process of flow transition in 3-D boundary layers

NASA Technical Reports Server (NTRS)

Liu, Chaoqun; Liu, Zhining

1993-01-01

A new technology was developed in this study which provides a successful numerical simulation of the whole process of flow transition in 3-D boundary layers, including linear growth, secondary instability, breakdown, and transition at relatively low CPU cost. Most other spatial numerical simulations require high CPU cost and blow up at the stage of flow breakdown. A fourth-order finite difference scheme on stretched and staggered grids, a fully implicit time marching technique, a semi-coarsening multigrid based on the so-called approximate line-box relaxation, and a buffer domain for the outflow boundary conditions were all used for high-order accuracy, good stability, and fast convergence. A new fine-coarse-fine grid mapping technique was developed to keep the code running after the laminar flow breaks down. The computational results are in good agreement with linear stability theory, secondary instability theory, and some experiments. The cost for a typical case with 162 x 34 x 34 grid is around 2 CRAY-YMP CPU hours for 10 T-S periods.

WFIRST: Simulating the Wide-Field Sky

NASA Astrophysics Data System (ADS)

Peeples, Molly; WFIRST Wide Field Imager Simulations Working Group

2018-01-01

As astronomy’s first high-resolution wide-field multi-mode instrument, simulated data will play a vital role in the planning for and analysis of data from WFIRST’s WFI (Wide Field Imager) instrument. Part of the key to WFIRST’s scientific success lies in our ability to push the systematics limit, but in order to do so, the WFI pipeline will need to be able to measure and take out said systematics. The efficacy of this pipeline can only be verified with large suites of synthetic data; these data must include both the range of astrophysical sky scenes (from crowded starfields to high-latitude grism data observations) and the systematics from the detector and telescope optics the WFI pipeline aims to mitigate. We summarize here(1) the status of current and planned astrophysical simulations in support of the WFI,(2) the status of current WFI instrument simulators and requirements on future generations thereof, and(3) plans, methods, and requirements on interfacing astrophysical simulations and WFI instrument simulators.

Prediction and Measurement of Temperature Rise Induced by High Intensity Focused Ultrasound in a Tissue-Mimicking Phantom

NASA Astrophysics Data System (ADS)

Lee, Kang Il

2018-06-01

The present study aims to predict the temperature rise induced by high intensity focused ultrasound (HIFU) in soft tissues to assess tissue damage during HIFU thermal therapies. With the help of a MATLAB-based software package developed for HIFU simulation, the HIFU field was simulated by solving the axisymmetric Khokhlov-Zabolotskaya-Kuznetsov (KZK) equation from the frequency-domain perspective, and the HIFU-induced temperature rise in a tissue-mimicking phantom was simulated by solving Pennes' bioheat transfer (BHT) equation. In order to verify the simulation results, we performed in-vitro heating experiments on a tissue-mimicking phantom by using a 1.1-MHz, single-element, spherically focused HIFU transducer. The temperature rise near the focal spot obtained from the HIFU simulator was in good agreement with that from the in-vitro experiments. This confirms that the HIFU simulator based on the KZK and the BHT equations captures the HIFU-induced temperature rise in soft tissues well enough to make it suitable for HIFU treatment planning.

Dynamical evolution of space debris on high-elliptical orbits near high-order resonance zones

NASA Astrophysics Data System (ADS)

Kuznetsov, Eduard; Zakharova, Polina

Orbital evolution of objects on Molniya-type orbits is considered near high-order resonance zones. Initial conditions correspond to high-elliptical orbits with the critical inclination 63.4 degrees. High-order resonances are analyzed. Resonance orders are more than 5 and less than 50. Frequencies of perturbations caused by the effect of sectorial and tesseral harmonics of the Earth's gravitational potential are linear combinations of the mean motion of a satellite, angular velocities of motion of the pericenter and node of its orbit, and the angular velocity of the Earth. Frequencies of perturbations were calculated by taking into account secular perturbations from the Earth oblateness, the Moon, the Sun, and a solar radiation pressure. Resonance splitting effect leads to three sub-resonances. The study of dynamical evolution on long time intervals was performed on the basis of the results of numerical simulation. We used "A Numerical Model of the Motion of Artificial Earth's Satellites", developed by the Research Institute of Applied Mathematics and Mechanics of the Tomsk State University. The model of disturbing forces taken into account the main perturbing factors: the gravitational field of the Earth, the attraction of the Moon and the Sun, the tides in the Earth’s body, the solar radiation pressure, taking into account the shadow of the Earth, the Poynting-Robertson effect, and the atmospheric drag. Area-to-mass ratio varied from small values corresponding to satellites to big ones corresponding to space debris. The locations and sizes of resonance zones were refined from numerical simulation. The Poynting-Robertson effect results in a secular decrease in the semi-major axis of a spherically symmetrical satellite. In resonance regions the effect weakens slightly. Reliable estimates of secular perturbations of the semi-major axis were obtained from the numerical simulation. Under the Poynting-Robertson effect objects pass through the regions of high-order resonances. The Poynting-Robertson effect and secular perturbations of the semi-major axis lead to formation weak stochastic trajectories. The integral autocorrelation function was used to analysis stochastic properties trajectories. This work was supported by the Ministry of Education and Science of the Russian Federation and the Russian Foundation for Basic Researches (grant 13-02-00026a).

Scattering and emission from inhomogeneous vegetation canopy and alien target beneath by using three-dimensional vector radiative transfer (3D-VRT) equation

NASA Astrophysics Data System (ADS)

Jin, Ya-Qiu; Liang, Zichang

2005-05-01

To solve the 3D-VRT equation for the model of spatially inhomogeneous scatter media, the finite enclosure of the scatter media is geometrically divided, in both vertical z and transversal (x,y) directions, to form very thin multi-boxes. The zeroth order emission, first-order Mueller matrix of each thin box and an iterative approach of high-order radiative transfer are applied to derive high-order scattering and emission of whole inhomogeneous scatter media. Numerical results of polarized brightness temperature at microwave frequency and under different radiometer resolutions from inhomogeneous scatter model such as vegetation canopy and alien target beneath canopy are simulated and discussed.

Water injection into vapor- and liquid-dominated reservoirs: Modeling of heat transfer and mass transport

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

Pruess, K.; Oldenburg, C.; Moridis, G.

1997-12-31

This paper summarizes recent advances in methods for simulating water and tracer injection, and presents illustrative applications to liquid- and vapor-dominated geothermal reservoirs. High-resolution simulations of water injection into heterogeneous, vertical fractures in superheated vapor zones were performed. Injected water was found to move in dendritic patterns, and to experience stronger lateral flow effects than predicted from homogeneous medium models. Higher-order differencing methods were applied to modeling water and tracer injection into liquid-dominated systems. Conventional upstream weighting techniques were shown to be adequate for predicting the migration of thermal fronts, while higher-order methods give far better accuracy for tracer transport.more » A new fluid property module for the TOUGH2 simulator is described which allows a more accurate description of geofluids, and includes mineral dissolution and precipitation effects with associated porosity and permeability change. Comparisons between numerical simulation predictions and data for laboratory and field injection experiments are summarized. Enhanced simulation capabilities include a new linear solver package for TOUGH2, and inverse modeling techniques for automatic history matching and optimization.« less

Integrated Clinical Training for Space Flight Using a High-Fidelity Patient Simulator in a Simulated Microgravity Environment

NASA Technical Reports Server (NTRS)

Hurst, Victor; Doerr, Harold K.; Polk, J. D.; Schmid, Josef; Parazynksi, Scott; Kelly, Scott

2007-01-01

This viewgraph presentation reviews the use of telemedicine in a simulated microgravity environment using a patient simulator. For decades, telemedicine techniques have been used in terrestrial environments by many cohorts with varied clinical experience. The success of these techniques has been recently expanded to include microgravity environments aboard the International Space Station (ISS). In order to investigate how an astronaut crew medical officer will execute medical tasks in a microgravity environment, while being remotely guided by a flight surgeon, the Medical Operation Support Team (MOST) used the simulated microgravity environment provided aboard DC-9 aircraft teams of crew medical officers, and remote flight surgeons performed several tasks on a patient simulator.

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.

Data collection and simulation of high range resolution laser radar for surface mine detection

NASA Astrophysics Data System (ADS)

Steinvall, Ove; Chevalier, Tomas; Larsson, Håkan

2006-05-01

Rapid and efficient detection of surface mines, IED's (Improvised Explosive Devices) and UXO (Unexploded Ordnance) is of high priority in military conflicts. High range resolution laser radars combined with passive hyper/multispectral sensors offer an interesting concept to help solving this problem. This paper reports on laser radar data collection of various surface mines in different types of terrain. In order to evaluate the capability of 3D imaging for detecting and classifying the objects of interest a scanning laser radar was used to scan mines and surrounding terrain with high angular and range resolution. These data were then fed into a laser radar model capable of generating range waveforms for a variety of system parameters and combinations of different targets and backgrounds. We can thus simulate a potential system by down sampling to relevant pixel sizes and laser/receiver characteristics. Data, simulations and examples will be presented.

Increasing Accuracy in Computed Inviscid Boundary Conditions

NASA Technical Reports Server (NTRS)

Dyson, Roger

2004-01-01

A technique has been devised to increase the accuracy of computational simulations of flows of inviscid fluids by increasing the accuracy with which surface boundary conditions are represented. This technique is expected to be especially beneficial for computational aeroacoustics, wherein it enables proper accounting, not only for acoustic waves, but also for vorticity and entropy waves, at surfaces. Heretofore, inviscid nonlinear surface boundary conditions have been limited to third-order accuracy in time for stationary surfaces and to first-order accuracy in time for moving surfaces. For steady-state calculations, it may be possible to achieve higher accuracy in space, but high accuracy in time is needed for efficient simulation of multiscale unsteady flow phenomena. The present technique is the first surface treatment that provides the needed high accuracy through proper accounting of higher-order time derivatives. The present technique is founded on a method known in art as the Hermitian modified solution approximation (MESA) scheme. This is because high time accuracy at a surface depends upon, among other things, correction of the spatial cross-derivatives of flow variables, and many of these cross-derivatives are included explicitly on the computational grid in the MESA scheme. (Alternatively, a related method other than the MESA scheme could be used, as long as the method involves consistent application of the effects of the cross-derivatives.) While the mathematical derivation of the present technique is too lengthy and complex to fit within the space available for this article, the technique itself can be characterized in relatively simple terms: The technique involves correction of surface-normal spatial pressure derivatives at a boundary surface to satisfy the governing equations and the boundary conditions and thereby achieve arbitrarily high orders of time accuracy in special cases. The boundary conditions can now include a potentially infinite number of time derivatives of surface-normal velocity (consistent with no flow through the boundary) up to arbitrarily high order. The corrections for the first-order spatial derivatives of pressure are calculated by use of the first-order time derivative velocity. The corrected first-order spatial derivatives are used to calculate the second- order time derivatives of velocity, which, in turn, are used to calculate the corrections for the second-order pressure derivatives. The process as described is repeated, progressing through increasing orders of derivatives, until the desired accuracy is attained.

A study on the high-order mode oscillation in a four-cavity intense relativistic klystron amplifier

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

Liu, Ying-Hui; Niu, Xin-Jian; Wang, Hui

The high-order mode oscillation is studied in designing a four-cavity intense relativistic klystron amplifier. The reason for the oscillation caused by high-order modes and a method to suppress these kinds of spurious modes are found through theoretical analyses and the study on the influence of major parameters of a high frequency structure (such as the oscillation frequency of cavities, the cavity Q value, the length of drift tube section, and the characteristic impedance). Based on much simulation, a four-cavity intense relativistic klystron amplifier with a superior performance has been designed, built, and tested. An output power of 2.22 GW corresponding tomore » 27.4% efficiency and 61 dB gain has been obtained. Moreover, the high-order mode oscillation is suppressed effectively, and an output power of 1.95 GW corresponding to 26% efficiency and 62 dB gain has been obtained in our laboratory.« less

A high-order mode extended interaction klystron at 0.34 THz

NASA Astrophysics Data System (ADS)

Wang, Dongyang; Wang, Guangqiang; Wang, Jianguo; Li, Shuang; Zeng, Peng; Teng, Yan

2017-02-01

We propose the concept of high-order mode extended interaction klystron (EIK) at the terahertz band. Compared to the conventional fundamental mode EIK, it operates at the TM31-2π mode, and its remarkable advantage is to obtain a large structure and good performance. The proposed EIK consists of five identical cavities with five gaps in each cavity. The method is discussed to suppress the mode competition and self-oscillation in the high-order mode cavity. Particle-in-cell simulation demonstrates that the EIK indeed operates at TM31-2π mode without self-oscillation while other modes are well suppressed. Driven by the electron beam with a voltage of 15 kV and a current of 0.3 A, the saturation gain of 43 dB and the output power of 60 W are achieved at the center frequency of 342.4 GHz. The EIK operating at high-order mode seems a promising approach to generate high power terahertz waves.

Arbitrarily high-order time-stepping schemes based on the operator spectrum theory for high-dimensional nonlinear Klein-Gordon equations

NASA Astrophysics Data System (ADS)

Liu, Changying; Wu, Xinyuan

2017-07-01

In this paper we explore arbitrarily high-order Lagrange collocation-type time-stepping schemes for effectively solving high-dimensional nonlinear Klein-Gordon equations with different boundary conditions. We begin with one-dimensional periodic boundary problems and first formulate an abstract ordinary differential equation (ODE) on a suitable infinity-dimensional function space based on the operator spectrum theory. We then introduce an operator-variation-of-constants formula which is essential for the derivation of our arbitrarily high-order Lagrange collocation-type time-stepping schemes for the nonlinear abstract ODE. The nonlinear stability and convergence are rigorously analysed once the spatial differential operator is approximated by an appropriate positive semi-definite matrix under some suitable smoothness assumptions. With regard to the two dimensional Dirichlet or Neumann boundary problems, our new time-stepping schemes coupled with discrete Fast Sine / Cosine Transformation can be applied to simulate the two-dimensional nonlinear Klein-Gordon equations effectively. All essential features of the methodology are present in one-dimensional and two-dimensional cases, although the schemes to be analysed lend themselves with equal to higher-dimensional case. The numerical simulation is implemented and the numerical results clearly demonstrate the advantage and effectiveness of our new schemes in comparison with the existing numerical methods for solving nonlinear Klein-Gordon equations in the literature.

Dynamics and diffusion mechanism of low-density liquid silicon

DOE PAGES

Shen, B.; Wang, Z. Y.; Dong, F.; ...

2015-11-05

A first-order phase transition from a high-density liquid to a low-density liquid has been proposed to explain the various thermodynamic anomies of water. It also has been proposed that such liquid–liquid phase transition would exist in supercooled silicon. Computer simulation studies show that, across the transition, the diffusivity drops roughly 2 orders of magnitude, and the structures exhibit considerable tetrahedral ordering. The resulting phase is a highly viscous, low-density liquid silicon. Investigations on the atomic diffusion of such a novel form of liquid silicon are of high interest. Here we report such diffusion results from molecular dynamics simulations using themore » classical Stillinger–Weber (SW) potential of silicon. We show that the atomic diffusion of the low-density liquid is highly correlated with local tetrahedral geometries. We also show that atoms diffuse through hopping processes within short ranges, which gradually accumulate to an overall random motion for long ranges as in normal liquids. There is a close relationship between dynamical heterogeneity and hopping process. We point out that the above diffusion mechanism is closely related to the strong directional bonding nature of the distorted tetrahedral network. Here, our work offers new insights into the complex behavior of the highly viscous low density liquid silicon, suggesting similar diffusion behaviors in other tetrahedral coordinated liquids that exhibit liquid–liquid phase transition such as carbon and germanium.« less

Simulating Terrestrial Gamma-ray Flashes using SWORD (Invited)

NASA Astrophysics Data System (ADS)

Gwon, C.; Grove, J.; Dwyer, J. R.; Mattson, K.; Polaski, D.; Jackson, L.

2013-12-01

We report on simulations of the relativistic feedback discharges involved with the production of terrestrial gamma-ray flashes (TGFs). The simulations were conducted using Geant4 using the SoftWare for the Optimization of Radiation Detectors (SWORD) framework. SWORD provides a graphical interface for setting up simulations in select high-energy radiation transport engines. Using Geant4, we determine avalanche length, the energy spectrum of the electrons and gamma-rays as they leave the field region, and the feedback factor describing the degree to which the production of energetic particles is self-sustaining. We validate our simulations against previous work in order to determine the reliability of our results. This work is funded by the Office of Naval Research.

A new RF window designed for high-power operation in an S-band LINAC RF system

NASA Astrophysics Data System (ADS)

Joo, Youngdo; Kim, Seung-Hwan; Hwang, Woonha; Ryu, Jiwan; Roh, Sungjoo

2016-09-01

A new RF window is designed for high-power operation at the Pohang Light Source-II (PLSII) S-band linear accelerator (LINAC) RF system. In order to reduce the strength of the electric field component perpendicular to the ceramic disk, which is commonly known as the main cause of most discharge breakdowns in ceramic disk, we replace the pill-box type cavity in the conventional RF window with an overmoded cavity. The overmoded cavity is coupled with input and output waveguides through dual side-wall coupling irises to reduce the electric field strength at the iris and the number of possible mode competitions. The finite-difference time-domain (FDTD) simulation, CST MWS, was used in the design process. The simulated maximum electric field component perpendicular to the ceramic for the new RF window is reduced by an order of magnitude compared with taht for the conventional RF window, which holds promise for stable high-power operation.

High pressure effect on optical gain in type-II InGaAs/GaAsSb nano-heterostructure

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

Yadav, Nisha; Nirmal, H. K.; Yadav, Rashmi

This paper reports the simulation of optical gain in type-II InGaAs/GaAsSb quantum well based nano-scale heterostructure. In order to simulate the optical gain, the heterostructure has been modeled with the help of six band k.p method. The 6 × 6 diagonalized k.p Hamiltonian has been solved to evaluate the valence sub-bands (i.e. light and heavy hole energies); and then optical matrix elements and optical gain within TE (Transverse Electric) mode has been calculated. The results obtained suggest that peak optical gain of the order of ∼ 9000 /cm in the heterostructure can be achieved at the lasing wavelength ∼ 1.95 µmmore » (SWIR region). The application of high pressure (2 and 5 GPa) on the structure shows that the gain as well as lasing wavelength both approach to higher values. Thus, the structure can be tuned externally by the application of high pressure.« less

Feasibility of a GNSS-Probe for Creating Digital Maps of High Accuracy and Integrity

NASA Astrophysics Data System (ADS)

Vartziotis, Dimitris; Poulis, Alkis; Minogiannis, Alexandros; Siozos, Panayiotis; Goudas, Iraklis; Samson, Jaron; Tossaint, Michel

The “ROADSCANNER” project addresses the need for increased accuracy and integrity Digital Maps (DM) utilizing the latest developments in GNSS, in order to provide the required datasets for novel applications, such as navigation based Safety Applications, Advanced Driver Assistance Systems (ADAS) and Digital Automotive Simulations. The activity covered in the current paper is the feasibility study, preliminary tests, initial product design and development plan for an EGNOS enabled vehicle probe. The vehicle probe will be used for generating high accuracy, high integrity and ADAS compatible digital maps of roads, employing a multiple passes methodology supported by sophisticated refinement algorithms. Furthermore, the vehicle probe will be equipped with pavement scanning and other data fusion equipment, in order to produce 3D road surface models compatible with standards of road-tire simulation applications. The project was assigned to NIKI Ltd under the 1st Call for Ideas in the frame of the ESA - Greece Task Force.

Quantum simulation of thermally-driven phase transition and oxygen K-edge x-ray absorption of high-pressure ice

PubMed Central

Kang, Dongdong; Dai, Jiayu; Sun, Huayang; Hou, Yong; Yuan, Jianmin

2013-01-01

The structure and phase transition of high-pressure ice are of long-standing interest and challenge, and there is still a huge gap between theoretical and experimental understanding. The quantum nature of protons such as delocalization, quantum tunneling and zero-point motion is crucial to the comprehension of the properties of high-pressure ice. Here we investigated the temperature-induced phase transition and oxygen K-edge x-ray absorption spectra of ice VII, VIII and X using ab initio path-integral molecular dynamics simulations. The tremendous difference between experiments and the previous theoretical predictions is closed for the phase diagram of ice below 300 K at pressures up to 110 GPa. Proton tunneling assists the proton-ordered ice VIII to transform into proton-disordered ice VII where only thermal activated proton-transfer cannot occur. The oxygen K edge with its shift is sensitive to the order-disorder transition, and therefore can be applied to diagnose the dynamics of ice structures. PMID:24253589

Simulation of three-phase induction motor drives using indirect field oriented control in PSIM environment

NASA Astrophysics Data System (ADS)

Aziri, Hasif; Patakor, Fizatul Aini; Sulaiman, Marizan; Salleh, Zulhisyam

2017-09-01

This paper presents the simulation of three-phase induction motor drives using Indirect Field Oriented Control (IFOC) in PSIM environment. The asynchronous machine is well known about natural limitations fact of highly nonlinearity and complexity of motor model. In order to resolve these problems, the IFOC is applied to control the instantaneous electrical quantities such as torque and flux component. As FOC is controlling the stator current that represented by a vector, the torque component is aligned with d coordinate while the flux component is aligned with q coordinate. There are five levels of the incremental system are gradually built up to verify and testing the software module in the system. Indeed, all of system build levels are verified and successfully tested in PSIM environment. Moreover, the corresponding system of five build levels are simulated in PSIM environment which is user-friendly for simulation studies in order to explore the performance of speed responses based on IFOC algorithm for three-phase induction motor drives.

Perturbative expansions from Monte Carlo simulations at weak coupling: Wilson loops and the static-quark self-energy

NASA Astrophysics Data System (ADS)

Trottier, H. D.; Shakespeare, N. H.; Lepage, G. P.; MacKenzie, P. B.

2002-05-01

Perturbative coefficients for Wilson loops and the static-quark self-energy are extracted from Monte Carlo simulations at weak coupling. The lattice volumes and couplings are chosen to ensure that the lattice momenta are all perturbative. Twisted boundary conditions are used to eliminate the effects of lattice zero modes and to suppress nonperturbative finite-volume effects due to Z(3) phases. Simulations of the Wilson gluon action are done with both periodic and twisted boundary conditions, and over a wide range of lattice volumes (from 34 to 164) and couplings (from β~9 to β~60). A high precision comparison is made between the simulation data and results from finite-volume lattice perturbation theory. The Monte Carlo results are shown to be in excellent agreement with perturbation theory through second order. New results for third-order coefficients for a number of Wilson loops and the static-quark self-energy are reported.

Automatic Selection of Order Parameters in the Analysis of Large Scale Molecular Dynamics Simulations.

PubMed

Sultan, Mohammad M; Kiss, Gert; Shukla, Diwakar; Pande, Vijay S

2014-12-09

Given the large number of crystal structures and NMR ensembles that have been solved to date, classical molecular dynamics (MD) simulations have become powerful tools in the atomistic study of the kinetics and thermodynamics of biomolecular systems on ever increasing time scales. By virtue of the high-dimensional conformational state space that is explored, the interpretation of large-scale simulations faces difficulties not unlike those in the big data community. We address this challenge by introducing a method called clustering based feature selection (CB-FS) that employs a posterior analysis approach. It combines supervised machine learning (SML) and feature selection with Markov state models to automatically identify the relevant degrees of freedom that separate conformational states. We highlight the utility of the method in the evaluation of large-scale simulations and show that it can be used for the rapid and automated identification of relevant order parameters involved in the functional transitions of two exemplary cell-signaling proteins central to human disease states.

Development and validation of the Simulation Learning Effectiveness Inventory.

PubMed

Chen, Shiah-Lian; Huang, Tsai-Wei; Liao, I-Chen; Liu, Chienchi

2015-10-01

To develop and psychometrically test the Simulation Learning Effectiveness Inventory. High-fidelity simulation helps students develop clinical skills and competencies. Yet, reliable instruments measuring learning outcomes are scant. A descriptive cross-sectional survey was used to validate psychometric properties of the instrument measuring students' perception of stimulation learning effectiveness. A purposive sample of 505 nursing students who had taken simulation courses was recruited from a department of nursing of a university in central Taiwan from January 2010-June 2010. The study was conducted in two phases. In Phase I, question items were developed based on the literature review and the preliminary psychometric properties of the inventory were evaluated using exploratory factor analysis. Phase II was conducted to evaluate the reliability and validity of the finalized inventory using confirmatory factor analysis. The results of exploratory and confirmatory factor analyses revealed the instrument was composed of seven factors, named course arrangement, equipment resource, debriefing, clinical ability, problem-solving, confidence and collaboration. A further second-order analysis showed comparable fits between a three second-order factor (preparation, process and outcome) and the seven first-order factor models. Internal consistency was supported by adequate Cronbach's alphas and composite reliability. Convergent and discriminant validities were also supported by confirmatory factor analysis. The study provides evidence that the Simulation Learning Effectiveness Inventory is reliable and valid for measuring student perception of learning effectiveness. The instrument is helpful in building the evidence-based knowledge of the effect of simulation teaching on students' learning outcomes. © 2015 John Wiley & Sons Ltd.

Verification of recursive probabilistic integration (RPI) method for fatigue life management using non-destructive inspections

NASA Astrophysics Data System (ADS)

Chen, Tzikang J.; Shiao, Michael

2016-04-01

This paper verified a generic and efficient assessment concept for probabilistic fatigue life management. The concept is developed based on an integration of damage tolerance methodology, simulations methods1, 2, and a probabilistic algorithm RPI (recursive probability integration)3-9 considering maintenance for damage tolerance and risk-based fatigue life management. RPI is an efficient semi-analytical probabilistic method for risk assessment subjected to various uncertainties such as the variability in material properties including crack growth rate, initial flaw size, repair quality, random process modeling of flight loads for failure analysis, and inspection reliability represented by probability of detection (POD). In addition, unlike traditional Monte Carlo simulations (MCS) which requires a rerun of MCS when maintenance plan is changed, RPI can repeatedly use a small set of baseline random crack growth histories excluding maintenance related parameters from a single MCS for various maintenance plans. In order to fully appreciate the RPI method, a verification procedure was performed. In this study, MC simulations in the orders of several hundred billions were conducted for various flight conditions, material properties, and inspection scheduling, POD and repair/replacement strategies. Since the MC simulations are time-consuming methods, the simulations were conducted parallelly on DoD High Performance Computers (HPC) using a specialized random number generator for parallel computing. The study has shown that RPI method is several orders of magnitude more efficient than traditional Monte Carlo simulations.

General approach to boat simulation in virtual reality systems

NASA Astrophysics Data System (ADS)

Aranov, Vladislav Y.; Belyaev, Sergey Y.

2002-02-01

The paper is dedicated to real time simulation of sport boats, particularly a kayak and high-speed skimming boat, for training goals. This training is issue of the day, since kayaking and riding a high-speed skimming boat are both extreme sports. Participating in such types of competitions puts sportsmen into danger, particularly due to rapids, waterfalls, different water streams, and other obstacles. In order to make the simulation realistic, it is necessary to calculate data for at least 30 frames per second. These calculations may take not more than 5% CPU time, because very time-consuming 3D rendering process takes the rest - 95% CPU time. This paper describes an approach for creating minimal boat simulator models that satisfy the mentioned requirements. Besides, this approach can be used for other watercraft models of this kind.

Computer simulation of refining process of a high consistency disc refiner based on CFD

NASA Astrophysics Data System (ADS)

Wang, Ping; Yang, Jianwei; Wang, Jiahui

2017-08-01

In order to reduce refining energy consumption, the ANSYS CFX was used to simulate the refining process of a high consistency disc refiner. In the first it was assumed to be uniform Newton fluid of turbulent state in disc refiner with the k-ɛ flow model; then meshed grids and set the boundary conditions in 3-D model of the disc refiner; and then was simulated and analyzed; finally, the viscosity of the pulp were measured. The results show that the CFD method can be used to analyze the pressure and torque on the disc plate, so as to calculate the refining power, and streamlines and velocity vectors can also be observed. CFD simulation can optimize parameters of the bar and groove, which is of great significance to reduce the experimental cost and cycle.

Crystal nucleation of colloidal hard dumbbells

NASA Astrophysics Data System (ADS)

Ni, Ran; Dijkstra, Marjolein

2011-01-01

Using computer simulations, we investigate the homogeneous crystal nucleation in suspensions of colloidal hard dumbbells. The free energy barriers are determined by Monte Carlo simulations using the umbrella sampling technique. We calculate the nucleation rates for the plastic crystal and the aperiodic crystal phase using the kinetic prefactor as determined from event driven molecular dynamics simulations. We find good agreement with the nucleation rates determined from spontaneous nucleation events observed in event driven molecular dynamics simulations within error bars of one order of magnitude. We study the effect of aspect ratio of the dumbbells on the nucleation of plastic and aperiodic crystal phases, and we also determine the structure of the critical nuclei. Moreover, we find that the nucleation of the aligned close-packed crystal structure is strongly suppressed by a high free energy barrier at low supersaturations and slow dynamics at high supersaturations.

Performance simulation of a detector for 4th generation photon sources: The AGIPD

NASA Astrophysics Data System (ADS)

Potdevin, G.; Trunk, U.; Graafsma, H.; Agipd Consortium

2009-08-01

Future 4th generation photon sources, such as the European XFEL based in Hamburg, will deliver around 1012 X-ray photons in less than 100 fs with full lateral coherence. These new sources will offer unprecedented possibilities in photon science. The high peak brilliance, combined with a 5 MHz repetition rate poses very high demands for the 2D detectors. In order to provide appropriate detectors during XFEL startup, three dedicated development projects have been initiated, one of them being the Adaptive Gain Integrating Pixel Detector (AGIPD) project which is a collaborative effort between DESY, PSI, University of Bonn, and University of Hamburg. An essential part of the AGIPD project is the development of a simulation tool for the complete detection system. The simulation tool as well as preliminary simulations of the detector characteristics is presented.

The Use of Particle/Substrate Material Models in Simulation of Cold-Gas Dynamic-Spray Process

NASA Astrophysics Data System (ADS)

Rahmati, Saeed; Ghaei, Abbas

2014-02-01

Cold spray is a coating deposition method in which the solid particles are accelerated to the substrate using a low temperature supersonic gas flow. Many numerical studies have been carried out in the literature in order to study this process in more depth. Despite the inability of Johnson-Cook plasticity model in prediction of material behavior at high strain rates, it is the model that has been frequently used in simulation of cold spray. Therefore, this research was devoted to compare the performance of different material models in the simulation of cold spray process. Six different material models, appropriate for high strain-rate plasticity, were employed in finite element simulation of cold spray process for copper. The results showed that the material model had a considerable effect on the predicted deformed shapes.

Trajectory errors of different numerical integration schemes diagnosed with the MPTRAC advection module driven by ECMWF operational analyses

NASA Astrophysics Data System (ADS)

Rößler, Thomas; Stein, Olaf; Heng, Yi; Baumeister, Paul; Hoffmann, Lars

2018-02-01

The accuracy of trajectory calculations performed by Lagrangian particle dispersion models (LPDMs) depends on various factors. The optimization of numerical integration schemes used to solve the trajectory equation helps to maximize the computational efficiency of large-scale LPDM simulations. We analyzed global truncation errors of six explicit integration schemes of the Runge-Kutta family, which we implemented in the Massive-Parallel Trajectory Calculations (MPTRAC) advection module. The simulations were driven by wind fields from operational analysis and forecasts of the European Centre for Medium-Range Weather Forecasts (ECMWF) at T1279L137 spatial resolution and 3 h temporal sampling. We defined separate test cases for 15 distinct regions of the atmosphere, covering the polar regions, the midlatitudes, and the tropics in the free troposphere, in the upper troposphere and lower stratosphere (UT/LS) region, and in the middle stratosphere. In total, more than 5000 different transport simulations were performed, covering the months of January, April, July, and October for the years 2014 and 2015. We quantified the accuracy of the trajectories by calculating transport deviations with respect to reference simulations using a fourth-order Runge-Kutta integration scheme with a sufficiently fine time step. Transport deviations were assessed with respect to error limits based on turbulent diffusion. Independent of the numerical scheme, the global truncation errors vary significantly between the different regions. Horizontal transport deviations in the stratosphere are typically an order of magnitude smaller compared with the free troposphere. We found that the truncation errors of the six numerical schemes fall into three distinct groups, which mostly depend on the numerical order of the scheme. Schemes of the same order differ little in accuracy, but some methods need less computational time, which gives them an advantage in efficiency. The selection of the integration scheme and the appropriate time step should possibly take into account the typical altitude ranges as well as the total length of the simulations to achieve the most efficient simulations. However, trying to summarize, we recommend the third-order Runge-Kutta method with a time step of 170 s or the midpoint scheme with a time step of 100 s for efficient simulations of up to 10 days of simulation time for the specific ECMWF high-resolution data set considered in this study. Purely stratospheric simulations can use significantly larger time steps of 800 and 1100 s for the midpoint scheme and the third-order Runge-Kutta method, respectively.

Numerical Simulation Analysis of High-precision Dispensing Needles for Solid-liquid Two-phase Grinding

NASA Astrophysics Data System (ADS)

Li, Junye; Hu, Jinglei; Wang, Binyu; Sheng, Liang; Zhang, Xinming

2018-03-01

In order to investigate the effect of abrasive flow polishing surface variable diameter pipe parts, with high precision dispensing needles as the research object, the numerical simulation of the process of polishing high precision dispensing needle was carried out. Analysis of different volume fraction conditions, the distribution of the dynamic pressure and the turbulence viscosity of the abrasive flow field in the high precision dispensing needle, through comparative analysis, the effectiveness of the abrasive grain polishing high precision dispensing needle was studied, controlling the volume fraction of silicon carbide can change the viscosity characteristics of the abrasive flow during the polishing process, so that the polishing quality of the abrasive grains can be controlled.

Simulated single molecule microscopy with SMeagol.

PubMed

Lindén, Martin; Ćurić, Vladimir; Boucharin, Alexis; Fange, David; Elf, Johan

2016-08-01

SMeagol is a software tool to simulate highly realistic microscopy data based on spatial systems biology models, in order to facilitate development, validation and optimization of advanced analysis methods for live cell single molecule microscopy data. SMeagol runs on Matlab R2014 and later, and uses compiled binaries in C for reaction-diffusion simulations. Documentation, source code and binaries for Mac OS, Windows and Ubuntu Linux can be downloaded from http://smeagol.sourceforge.net johan.elf@icm.uu.se Supplementary data are available at Bioinformatics online. © The Author 2016. Published by Oxford University Press.

Adaptive multiple super fast simulated annealing for stochastic microstructure reconstruction

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

Ryu, Seun; Lin, Guang; Sun, Xin

2013-01-01

Fast image reconstruction from statistical information is critical in image fusion from multimodality chemical imaging instrumentation to create high resolution image with large domain. Stochastic methods have been used widely in image reconstruction from two point correlation function. The main challenge is to increase the efficiency of reconstruction. A novel simulated annealing method is proposed for fast solution of image reconstruction. Combining the advantage of very fast cooling schedules, dynamic adaption and parallelization, the new simulation annealing algorithm increases the efficiencies by several orders of magnitude, making the large domain image fusion feasible.

Fiber pulling apparatus modification

NASA Technical Reports Server (NTRS)

Smith, Guy A.; Workman, Gary L.

1992-01-01

A reduced gravity fiber pulling apparatus (FPA) was constructed in order to study the effects of gravity on glass fiber formation. The apparatus was specifically designed and built for use on NASA's KC-135 aircraft. Four flights have been completed to date during which E-glass fiber was successfully produced in simulated zero, high, and lunar gravity environments. In addition simulated lunar soil samples were tested for their fiber producing properties using the FPA.

Scalable High-order Methods for Multi-Scale Problems: Analysis, Algorithms and Application

DTIC Science & Technology

2016-02-26

Karniadakis, “Resilient algorithms for reconstructing and simulating gappy flow fields in CFD ”, Fluid Dynamic Research, vol. 47, 051402, 2015. 2. Y. Yu, H...simulation, domain decomposition, CFD , gappy data, estimation theory, and gap-tooth algorithm. 16. SECURITY CLASSIFICATION OF: 17. LIMITATION OF...objective of this project was to develop a general CFD framework for multifidelity simula- tions to target multiscale problems but also resilience in

Nucleation of ordered solid phases of proteins via a disordered high-density state: Phenomenological approach

NASA Astrophysics Data System (ADS)

Pan, Weichun; Kolomeisky, Anatoly B.; Vekilov, Peter G.

2005-05-01

Nucleation of ordered solid phases of proteins triggers numerous phenomena in laboratory, industry, and in healthy and sick organisms. Recent simulations and experiments with protein crystals suggest that the formation of an ordered crystalline nucleus is preceded by a disordered high-density cluster, akin to a droplet of high-density liquid that has been observed with some proteins; this mechanism allowed a qualitative explanation of recorded complex nucleation kinetics curves. Here, we present a simple phenomenological theory that takes into account intermediate high-density metastable states in the nucleation process. Nucleation rate data at varying temperature and protein concentration are reproduced with high fidelity using literature values of the thermodynamic and kinetic parameters of the system. Our calculations show that the growth rate of the near-critical and supercritical ordered clusters within the dense intermediate is a major factor for the overall nucleation rate. This highlights the role of viscosity within the dense intermediate for the formation of the ordered nucleus. The model provides an understanding of the action of additives that delay or accelerate nucleation and presents a framework within which the nucleation of other ordered protein solid phases, e.g., the sickle cell hemoglobin polymers, can be analyzed.

Multiscale high-order/low-order (HOLO) algorithms and applications

NASA Astrophysics Data System (ADS)

Chacón, L.; Chen, G.; Knoll, D. A.; Newman, C.; Park, H.; Taitano, W.; Willert, J. A.; Womeldorff, G.

2017-02-01

We review the state of the art in the formulation, implementation, and performance of so-called high-order/low-order (HOLO) algorithms for challenging multiscale problems. HOLO algorithms attempt to couple one or several high-complexity physical models (the high-order model, HO) with low-complexity ones (the low-order model, LO). The primary goal of HOLO algorithms is to achieve nonlinear convergence between HO and LO components while minimizing memory footprint and managing the computational complexity in a practical manner. Key to the HOLO approach is the use of the LO representations to address temporal stiffness, effectively accelerating the convergence of the HO/LO coupled system. The HOLO approach is broadly underpinned by the concept of nonlinear elimination, which enables segregation of the HO and LO components in ways that can effectively use heterogeneous architectures. The accuracy and efficiency benefits of HOLO algorithms are demonstrated with specific applications to radiation transport, gas dynamics, plasmas (both Eulerian and Lagrangian formulations), and ocean modeling. Across this broad application spectrum, HOLO algorithms achieve significant accuracy improvements at a fraction of the cost compared to conventional approaches. It follows that HOLO algorithms hold significant potential for high-fidelity system scale multiscale simulations leveraging exascale computing.

In-process, non-destructive, dynamic testing of high-speed polymer composite rotors

NASA Astrophysics Data System (ADS)

Kuschmierz, Robert; Filippatos, Angelos; Günther, Philipp; Langkamp, Albert; Hufenbach, Werner; Czarske, Jürgen; Fischer, Andreas

2015-03-01

Polymer composite rotors are lightweight and offer great perspectives in high-speed applications such as turbo machinery. Currently, novel rotor structures and materials are investigated for the purpose of increasing machine efficiency and lifetime, as well as allowing for higher dynamic loads. However, due to the complexity of the composite materials an in-process measurement system is required. This allows for monitoring the evolution of damages under dynamic loads, for testing and predicting the structural integrity of composite rotors in process. In rotor design, it can be used for calibrating and improving models, simulating the dynamic behaviour of polymer composite rotors. The measurement system is to work non-invasive, offer micron uncertainty, as well as a high measurement rate of several tens of kHz. Furthermore, it must be applicable at high surface speeds and under technical vacuum. In order to fulfil these demands a novel laser distance measurement system was developed. It provides the angle resolved measurement of the biaxial deformation of a fibre-reinforced polymer composite rotor with micron uncertainty at surface speeds of more than 300 m/s. Furthermore, a simulation procedure combining a finite element model and a damage mechanics model is applied. A comparison of the measured data and the numerically calculated data is performed to validate the simulation towards rotor expansion. This validating procedure can be used for a model calibration in the future. The simulation procedure could be used to investigate different damage-test cases of the rotor, in order to define its structural behaviour without further experiments.

Large-eddy simulations of the restricted nonlinear system

NASA Astrophysics Data System (ADS)

Bretheim, Joel; Gayme, Dennice; Meneveau, Charles

2014-11-01

Wall-bounded shear flows often exhibit elongated flow structures with streamwise coherence (e.g. rolls/streaks), prompting the exploration of a streamwise-constant modeling framework to investigate wall-turbulence. Simulations of a streamwise-constant (2D/3C) model have been shown to produce the roll/streak structures and accurately reproduce the blunted turbulent mean velocity profile in plane Couette flow. The related restricted nonlinear (RNL) model captures these same features but also exhibits self-sustaining turbulent behavior. Direct numerical simulation (DNS) of the RNL system results in similar statistics for a number of flow quantities and a flow field that is consistent with DNS of the Navier-Stokes equations. Aiming to develop reduced-order models of wall-bounded turbulence at very high Reynolds numbers in which viscous near-wall dynamics cannot be resolved, this work presents the development of an RNL formulation of the filtered Navier-Stokes equations solved for in large-eddy simulations (LES). The proposed LES-RNL system is a computationally affordable reduced-order modeling tool that is of interest for studying the underlying dynamics of high-Reynolds wall-turbulence and for engineering applications where the flow field is dominated by streamwise-coherent motions. This work is supported by NSF (IGERT, SEP-1230788 and IIA-1243482).

Volcanically-Triggered Rainfall and the Effect on Volcanological Hazards at Soufriere Hills, Montserrat

NASA Astrophysics Data System (ADS)

Poulidis, Alexandros-Panagiotis; Renfrew, Ian; Matthews, Adrian

2014-05-01

Atmospheric flow simulations over and around the Soufriere Hills volcano in the island of Montserrat in the Caribbean are studied, through a series of numerical model experiments, in order to link interactions between the volcano and the atmosphere. A heated surface is added on the top of the mountain, in order to simulate the dome of an active volcano that is not undergoing an eruption. A series of simulations with different atmospheric conditions and control parameters for the volcano will be presented. Simulations are made using the Weather Research and Forecasting (WRF) model, with a high resolution digital elevation map of Montserrat. Simulations with an idealised topography have also been examined, in order for the results to have general applicability to similar-sized volcanoes located in the Tropics. The model was initialised with soundings from representative days of qualitatively different atmospheric conditions from the rainy season. The heated volcanic dome changes the orographic flow response significantly, depending upon the atmospheric conditions and the magnitude of the dome surface temperature anomaly. The flow regime and qualitative characteristic features, such orographic clouds and rainfall patterns, can all change significantly. For example, the orographic rainfall over the volcano can be significantly enhanced with increased dome temperatures. The implications of these changes on the eruptive behaviour of the volcano and resulting secondary volcanic hazards, such as lahars, will be discussed.

Simulation of detonation of ammonium nitrate fuel oil mixture confined by aluminum: edge angles for DSD

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

Short, Mark; Quirk, James J; Kiyanda, Charles B

2010-01-01

Non-ideal high explosives are typically porous, low-density materials with a low detonation velocity (3--5 km/s) and long detonation reaction zone ({approx} cms). As a result, the interaction of a non-ideal high explosive with an inert confiner can be markedly different than for a conventional high explosive. Issues arise, for example, with light stiff confiners where the confiner can drive the high explosive (HE) through a Prandtl-Meyer fan at the HE/confiner interface rather than the HE driving the confiner. For a non-ideal high explosive confined by a high sound speed inert such that the detonation velocity is lower than the inertmore » sound speed, the flow is subsonic and thus shockless in the confiner. In such cases, the standard detonation shock dynamics methodology, which requires a positive edge-angle be specified at the HE/confiner interface in order that the detonation shape be divergent, cannot be directly utilized. In order to study how detonation shock dynamics can be utilized in such cases, numerical simulations of the detonation of ammonium nitrate-fuel oil (ANFO) confined by aluminum 6061 are conducted.« less

High Order Approximations for Compressible Fluid Dynamics on Unstructured and Cartesian Meshes

NASA Technical Reports Server (NTRS)

Barth, Timothy (Editor); Deconinck, Herman (Editor)

1999-01-01

The development of high-order accurate numerical discretization techniques for irregular domains and meshes is often cited as one of the remaining challenges facing the field of computational fluid dynamics. In structural mechanics, the advantages of high-order finite element approximation are widely recognized. This is especially true when high-order element approximation is combined with element refinement (h-p refinement). In computational fluid dynamics, high-order discretization methods are infrequently used in the computation of compressible fluid flow. The hyperbolic nature of the governing equations and the presence of solution discontinuities makes high-order accuracy difficult to achieve. Consequently, second-order accurate methods are still predominately used in industrial applications even though evidence suggests that high-order methods may offer a way to significantly improve the resolution and accuracy for these calculations. To address this important topic, a special course was jointly organized by the Applied Vehicle Technology Panel of NATO's Research and Technology Organization (RTO), the von Karman Institute for Fluid Dynamics, and the Numerical Aerospace Simulation Division at the NASA Ames Research Center. The NATO RTO sponsored course entitled "Higher Order Discretization Methods in Computational Fluid Dynamics" was held September 14-18, 1998 at the von Karman Institute for Fluid Dynamics in Belgium and September 21-25, 1998 at the NASA Ames Research Center in the United States. During this special course, lecturers from Europe and the United States gave a series of comprehensive lectures on advanced topics related to the high-order numerical discretization of partial differential equations with primary emphasis given to computational fluid dynamics (CFD). Additional consideration was given to topics in computational physics such as the high-order discretization of the Hamilton-Jacobi, Helmholtz, and elasticity equations. This volume consists of five articles prepared by the special course lecturers. These articles should be of particular relevance to those readers with an interest in numerical discretization techniques which generalize to very high-order accuracy. The articles of Professors Abgrall and Shu consider the mathematical formulation of high-order accurate finite volume schemes utilizing essentially non-oscillatory (ENO) and weighted essentially non-oscillatory (WENO) reconstruction together with upwind flux evaluation. These formulations are particularly effective in computing numerical solutions of conservation laws containing solution discontinuities. Careful attention is given by the authors to implementational issues and techniques for improving the overall efficiency of these methods. The article of Professor Cockburn discusses the discontinuous Galerkin finite element method. This method naturally extends to high-order accuracy and has an interpretation as a finite volume method. Cockburn addresses two important issues associated with the discontinuous Galerkin method: controlling spurious extrema near solution discontinuities via "limiting" and the extension to second order advective-diffusive equations (joint work with Shu). The articles of Dr. Henderson and Professor Schwab consider the mathematical formulation and implementation of the h-p finite element methods using hierarchical basis functions and adaptive mesh refinement. These methods are particularly useful in computing high-order accurate solutions containing perturbative layers and corner singularities. Additional flexibility is obtained using a mortar FEM technique whereby nonconforming elements are interfaced together. Numerous examples are given by Henderson applying the h-p FEM method to the simulation of turbulence and turbulence transition.

Progress in detailed modelling of low foot and high foot implosion experiments on the National Ignition Facility

NASA Astrophysics Data System (ADS)

Clark, D. S.; Weber, C. R.; Eder, D. C.; Haan, S. W.; Hammel, B. A.; Hinkel, D. E.; Jones, O. S.; Kritcher, A. L.; Marinak, M. M.; Milovich, J. L.; Patel, P. K.; Robey, H. F.; Salmonson, J. D.; Sepke, S. M.

2016-05-01

Several dozen high convergence inertial confinement fusion ignition experiments have now been completed on the National Ignition Facility (NIF). These include both “low foot” experiments from the National Ignition Campaign (NIC) and more recent “high foot” experiments. At the time of the NIC, there were large discrepancies between simulated implosion performance and experimental data. In particular, simulations over predicted neutron yields by up to an order of magnitude, and some experiments showed clear evidence of mixing of ablator material deep into the hot spot that could not be explained at the time. While the agreement between data and simulation improved for high foot implosion experiments, discrepancies nevertheless remain. This paper describes the state of detailed modelling of both low foot and high foot implosions using 1-D, 2-D, and 3-D radiation hydrodynamics simulations with HYDRA. The simulations include a range of effects, in particular, the impact of the plastic membrane used to support the capsule in the hohlraum, as well as low-mode radiation asymmetries tuned to match radiography measurements. The same simulation methodology is applied to low foot NIC implosion experiments and high foot implosions, and shows a qualitatively similar level of agreement for both types of implosions. While comparison with the experimental data remains imperfect, a reasonable level of agreement is emerging and shows a growing understanding of the high-convergence implosions being performed on NIF.

DNS of Flow in a Low-Pressure Turbine Cascade Using a Discontinuous-Galerkin Spectral-Element Method

NASA Technical Reports Server (NTRS)

Garai, Anirban; Diosady, Laslo Tibor; Murman, Scott; Madavan, Nateri

2015-01-01

A new computational capability under development for accurate and efficient high-fidelity direct numerical simulation (DNS) and large eddy simulation (LES) of turbomachinery is described. This capability is based on an entropy-stable Discontinuous-Galerkin spectral-element approach that extends to arbitrarily high orders of spatial and temporal accuracy and is implemented in a computationally efficient manner on a modern high performance computer architecture. A validation study using this method to perform DNS of flow in a low-pressure turbine airfoil cascade are presented. Preliminary results indicate that the method captures the main features of the flow. Discrepancies between the predicted results and the experiments are likely due to the effects of freestream turbulence not being included in the simulation and will be addressed in the final paper.

High Order Finite Difference Methods with Subcell Resolution for 2D Detonation Waves

NASA Technical Reports Server (NTRS)

Wang, W.; Shu, C. W.; Yee, H. C.; Sjogreen, B.

2012-01-01

In simulating hyperbolic conservation laws in conjunction with an inhomogeneous stiff source term, if the solution is discontinuous, spurious numerical results may be produced due to different time scales of the transport part and the source term. This numerical issue often arises in combustion and high speed chemical reacting flows.

Analysis of multiple time scales in a transistor amplifier.

PubMed

Armstead, Douglas N; Carroll, Thomas L

2005-03-01

It was shown previously in an experiment that when high frequency signals (on the order of 1 MHz) were injected into this low frequency amplifier, the nonlinearities of the pn junctions caused period doubling, chaos, and very low frequency oscillations (on the order of 1 Hz). In this paper we present theory and simulations to explain the existence of the low frequency oscillations.

Mass production of extensive air showers for the Pierre Auger Collaboration using Grid Technology

NASA Astrophysics Data System (ADS)

Lozano Bahilo, Julio; Pierre Auger Collaboration

2012-06-01

When ultra-high energy cosmic rays enter the atmosphere they interact producing extensive air showers (EAS) which are the objects studied by the Pierre Auger Observatory. The number of particles involved in an EAS at these energies is of the order of billions and the generation of a single simulated EAS requires many hours of computing time with current processors. In addition, the storage space consumed by the output of one simulated EAS is very high. Therefore we have to make use of Grid resources to be able to generate sufficient quantities of showers for our physics studies in reasonable time periods. We have developed a set of highly automated scripts written in common software scripting languages in order to deal with the high number of jobs which we have to submit regularly to the Grid. In spite of the low number of sites supporting our Virtual Organization (VO) we have reached the top spot on CPU consumption among non LHC (Large Hadron Collider) VOs within EGI (European Grid Infrastructure).

Ultra-Scale Computing for Emergency Evacuation

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

Bhaduri, Budhendra L; Nutaro, James J; Liu, Cheng

2010-01-01

Emergency evacuations are carried out in anticipation of a disaster such as hurricane landfall or flooding, and in response to a disaster that strikes without a warning. Existing emergency evacuation modeling and simulation tools are primarily designed for evacuation planning and are of limited value in operational support for real time evacuation management. In order to align with desktop computing, these models reduce the data and computational complexities through simple approximations and representations of real network conditions and traffic behaviors, which rarely represent real-world scenarios. With the emergence of high resolution physiographic, demographic, and socioeconomic data and supercomputing platforms, itmore » is possible to develop micro-simulation based emergency evacuation models that can foster development of novel algorithms for human behavior and traffic assignments, and can simulate evacuation of millions of people over a large geographic area. However, such advances in evacuation modeling and simulations demand computational capacity beyond the desktop scales and can be supported by high performance computing platforms. This paper explores the motivation and feasibility of ultra-scale computing for increasing the speed of high resolution emergency evacuation simulations.« less

Non-robust numerical simulations of analogue extension experiments

NASA Astrophysics Data System (ADS)

Naliboff, John; Buiter, Susanne

2016-04-01

Numerical and analogue models of lithospheric deformation provide significant insight into the tectonic processes that lead to specific structural and geophysical observations. As these two types of models contain distinct assumptions and tradeoffs, investigations drawing conclusions from both can reveal robust links between first-order processes and observations. Recent studies have focused on detailed comparisons between numerical and analogue experiments in both compressional and extensional tectonics, sometimes involving multiple lithospheric deformation codes and analogue setups. While such comparisons often show good agreement on first-order deformation styles, results frequently diverge on second-order structures, such as shear zone dip angles or spacing, and in certain cases even on first-order structures. Here, we present finite-element experiments that are designed to directly reproduce analogue "sandbox" extension experiments at the cm-scale. We use material properties and boundary conditions that are directly taken from analogue experiments and use a Drucker-Prager failure model to simulate shear zone formation in sand. We find that our numerical experiments are highly sensitive to numerous numerical parameters. For example, changes to the numerical resolution, velocity convergence parameters and elemental viscosity averaging commonly produce significant changes in first- and second-order structures accommodating deformation. The sensitivity of the numerical simulations to small parameter changes likely reflects a number of factors, including, but not limited to, high angles of internal friction assigned to sand, complex, unknown interactions between the brittle sand (used as an upper crust equivalent) and viscous silicone (lower crust), highly non-linear strain weakening processes and poor constraints on the cohesion of sand. Our numerical-analogue comparison is hampered by (a) an incomplete knowledge of the fine details of sand failure and sand properties, and (b) likely limitations to the use of a continuum Drucker-Prager model for representing shear zone formation in sand. In some cases our numerical experiments provide reasonable fits to first-order structures observed in the analogue experiments, but the numerical sensitivity to small parameter variations leads us to conclude that the numerical experiments are not robust.

A discontinuous Galerkin method for gravity-driven viscous fingering instabilities in porous media

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

Scovazzi, G.; Gerstenberger, A.; Collis, S. S.

2013-01-01

We present a new approach to the simulation of gravity-driven viscous fingering instabilities in porous media flow. These instabilities play a very important role during carbon sequestration processes in brine aquifers. Our approach is based on a nonlinear implementation of the discontinuous Galerkin method, and possesses a number of key features. First, the method developed is inherently high order, and is therefore well suited to study unstable flow mechanisms. Secondly, it maintains high-order accuracy on completely unstructured meshes. The combination of these two features makes it a very appealing strategy in simulating the challenging flow patterns and very complex geometriesmore » of actual reservoirs and aquifers. This article includes an extensive set of verification studies on the stability and accuracy of the method, and also features a number of computations with unstructured grids and non-standard geometries.« less

Creation of Frustrated Systems by d-dot Array

NASA Astrophysics Data System (ADS)

Masahiko, Machida

2004-03-01

When a square shape dot of High-Tc superconductor is embedded in s-wave superconducting matrix, half quantized vortices are spontaneously generated at the corners of the dot. This feature gives the magnetic interactions between neighboring dots in array systems composed of sevaral dots of High-Tc superconductor and allows us to make magnetic interaction systems. We propose that we can create interesting frustrated systems like the spin-ice by setting the dots in various manners. In order to demonstrate which types of frustrated systems are possible, we perform numerical simulations for the time-dependent Ginzburg-Landau equation describing dynamics of the superconducting order parameters with d-wave and s-wave symmetries. The simulations reveal that the proposed system has two parameters originated from the magnetic interaction between emerged half vortices. We tune the parameters and show various patterns of half vortices from the Ising to the ice model.

High-order hydrodynamic algorithms for exascale computing

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

Morgan, Nathaniel Ray

Hydrodynamic algorithms are at the core of many laboratory missions ranging from simulating ICF implosions to climate modeling. The hydrodynamic algorithms commonly employed at the laboratory and in industry (1) typically lack requisite accuracy for complex multi- material vortical flows and (2) are not well suited for exascale computing due to poor data locality and poor FLOP/memory ratios. Exascale computing requires advances in both computer science and numerical algorithms. We propose to research the second requirement and create a new high-order hydrodynamic algorithm that has superior accuracy, excellent data locality, and excellent FLOP/memory ratios. This proposal will impact a broadmore » range of research areas including numerical theory, discrete mathematics, vorticity evolution, gas dynamics, interface instability evolution, turbulent flows, fluid dynamics and shock driven flows. If successful, the proposed research has the potential to radically transform simulation capabilities and help position the laboratory for computing at the exascale.« less

Chiral spin liquids at finite temperature in a three-dimensional Kitaev model

NASA Astrophysics Data System (ADS)

Kato, Yasuyuki; Kamiya, Yoshitomo; Nasu, Joji; Motome, Yukitoshi

2017-11-01

Chiral spin liquids (CSLs) in three dimensions and thermal phase transitions to paramagnet are studied by unbiased Monte Carlo simulations. For an extension of the Kitaev model to a three-dimensional tricoordinate network dubbed the hypernonagon lattice, we derive low-energy effective models in two different anisotropic limits. We show that the effective interactions between the emergent Z2 degrees of freedom called fluxes are unfrustrated in one limit, while highly frustrated in the other. In both cases, we find a first-order phase transition to the CSL, where both time-reversal and parity symmetries are spontaneously broken. In the frustrated case, however, the CSL state is highly exotic—the flux configuration is subextensively degenerate while showing a directional order with broken C3 rotational symmetry. Our results provide two contrasting archetypes of CSLs in three dimensions, both of which allow approximation-free simulation for investigating the thermodynamics.

Full Wave Analysis of RF Signal Attenuation in a Lossy Rough Surface Cave using a High Order Time Domain Vector Finite Element Method

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

Pingenot, J; Rieben, R; White, D

2005-10-31

We present a computational study of signal propagation and attenuation of a 200 MHz planar loop antenna in a cave environment. The cave is modeled as a straight and lossy random rough wall. To simulate a broad frequency band, the full wave Maxwell equations are solved directly in the time domain via a high order vector finite element discretization using the massively parallel CEM code EMSolve. The numerical technique is first verified against theoretical results for a planar loop antenna in a smooth lossy cave. The simulation is then performed for a series of random rough surface meshes in ordermore » to generate statistical data for the propagation and attenuation properties of the antenna in a cave environment. Results for the mean and variance of the power spectral density of the electric field are presented and discussed.« less

Optical design of a high radiative flux solar furnace for Mexico

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

Riveros-Rosas, D.; Perez-Rabago, C.A.; Arancibia-Bulnes, C.A.

2010-05-15

In the present work, the optical design of a new high radiative flux solar furnace is described. Several optical configurations for the concentrator of the system have been considered. Ray tracing simulations were carried out in order to determine the concentrated radiative flux distributions in the focal zone of the system, for comparing the different proposals. The best configuration was chosen in terms of maximum peak concentration, but also in terms of economical and other practical considerations. It consists of an arrangement of 409 first surface spherical facets with hexagonal shape, mounted on a spherical frame. The individual orientation ofmore » the facets is corrected in order to compensate for aberrations. The design considers an intercepted power of 30 kW and a target peak concentration above 10,000 suns. The effect of optical errors was also considered in the simulations. (author)« less

A high-order perturbation of surfaces method for scattering of linear waves by periodic multiply layered gratings in two and three dimensions

NASA Astrophysics Data System (ADS)

Hong, Youngjoon; Nicholls, David P.

2017-09-01

The capability to rapidly and robustly simulate the scattering of linear waves by periodic, multiply layered media in two and three dimensions is crucial in many engineering applications. In this regard, we present a High-Order Perturbation of Surfaces method for linear wave scattering in a multiply layered periodic medium to find an accurate numerical solution of the governing Helmholtz equations. For this we truncate the bi-infinite computational domain to a finite one with artificial boundaries, above and below the structure, and enforce transparent boundary conditions there via Dirichlet-Neumann Operators. This is followed by a Transformed Field Expansion resulting in a Fourier collocation, Legendre-Galerkin, Taylor series method for solving the problem in a transformed set of coordinates. Assorted numerical simulations display the spectral convergence of the proposed algorithm.

MHD Instability and Turbulence in the Tachocline

NASA Technical Reports Server (NTRS)

Werne, Joseph

2001-01-01

In this quarter we have begun simulations on the Cray T3E at PSC and we are debugging our code on the TSC. The PSC simulations are examining stratified shear turbulence with a flow-aligned magnetic field and passive tracer particles. We have conducted analysis of neutral simulations to establish a firm basis of comparison. Second-order structure functions have been computed, fit, and compared to theoretical expressions relating the dissipation fields and the structure-function-fit parameters. Agreement with high-Reynolds number observations is excellent, giving us confidence that the lower-Re simulations are relevant to higher-Re flows. We have also evaluated the neutral layer anisotropy.

Numerical simulation of fluid flow through simplified blade cascade with prescribed harmonic motion using discontinuous Galerkin method

NASA Astrophysics Data System (ADS)

Vimmr, Jan; Bublík, Ondřej; Prausová, Helena; Hála, Jindřich; Pešek, Luděk

2018-06-01

This paper deals with a numerical simulation of compressible viscous fluid flow around three flat plates with prescribed harmonic motion. This arrangement presents a simplified blade cascade with forward wave motion. The aim of this simulation is to determine the aerodynamic forces acting on the flat plates. The mathematical model describing this problem is formed by Favre-averaged system of Navier-Stokes equations in arbitrary Lagrangian-Eulerian (ALE) formulation completed by one-equation Spalart-Allmaras turbulence model. The simulation was performed using the developed in-house CFD software based on discontinuous Galerkin method, which offers high order of accuracy.

The Reduced Basis Method in Geosciences: Practical examples for numerical forward simulations

NASA Astrophysics Data System (ADS)

Degen, D.; Veroy, K.; Wellmann, F.

2017-12-01

Due to the highly heterogeneous character of the earth's subsurface, the complex coupling of thermal, hydrological, mechanical, and chemical processes, and the limited accessibility we have to face high-dimensional problems associated with high uncertainties in geosciences. Performing the obviously necessary uncertainty quantifications with a reasonable number of parameters is often not possible due to the high-dimensional character of the problem. Therefore, we are presenting the reduced basis (RB) method, being a model order reduction (MOR) technique, that constructs low-order approximations to, for instance, the finite element (FE) space. We use the RB method to address this computationally challenging simulations because this method significantly reduces the degrees of freedom. The RB method is decomposed into an offline and online stage, allowing to make the expensive pre-computations beforehand to get real-time results during field campaigns. Generally, the RB approach is most beneficial in the many-query and real-time context.We will illustrate the advantages of the RB method for the field of geosciences through two examples of numerical forward simulations.The first example is a geothermal conduction problem demonstrating the implementation of the RB method for a steady-state case. The second examples, a Darcy flow problem, shows the benefits for transient scenarios. In both cases, a quality evaluation of the approximations is given. Additionally, the runtimes for both the FE and the RB simulations are compared. We will emphasize the advantages of this method for repetitive simulations by showing the speed-up for the RB solution in contrast to the FE solution. Finally, we will demonstrate how the used implementation is usable in high-performance computing (HPC) infrastructures and evaluate its performance for such infrastructures. Hence, we will especially point out its scalability, yielding in an optimal usage on HPC infrastructures and normal working stations.

1D-3D hybrid modeling-from multi-compartment models to full resolution models in space and time.

PubMed

Grein, Stephan; Stepniewski, Martin; Reiter, Sebastian; Knodel, Markus M; Queisser, Gillian

2014-01-01

Investigation of cellular and network dynamics in the brain by means of modeling and simulation has evolved into a highly interdisciplinary field, that uses sophisticated modeling and simulation approaches to understand distinct areas of brain function. Depending on the underlying complexity, these models vary in their level of detail, in order to cope with the attached computational cost. Hence for large network simulations, single neurons are typically reduced to time-dependent signal processors, dismissing the spatial aspect of each cell. For single cell or networks with relatively small numbers of neurons, general purpose simulators allow for space and time-dependent simulations of electrical signal processing, based on the cable equation theory. An emerging field in Computational Neuroscience encompasses a new level of detail by incorporating the full three-dimensional morphology of cells and organelles into three-dimensional, space and time-dependent, simulations. While every approach has its advantages and limitations, such as computational cost, integrated and methods-spanning simulation approaches, depending on the network size could establish new ways to investigate the brain. In this paper we present a hybrid simulation approach, that makes use of reduced 1D-models using e.g., the NEURON simulator-which couples to fully resolved models for simulating cellular and sub-cellular dynamics, including the detailed three-dimensional morphology of neurons and organelles. In order to couple 1D- and 3D-simulations, we present a geometry-, membrane potential- and intracellular concentration mapping framework, with which graph- based morphologies, e.g., in the swc- or hoc-format, are mapped to full surface and volume representations of the neuron and computational data from 1D-simulations can be used as boundary conditions for full 3D simulations and vice versa. Thus, established models and data, based on general purpose 1D-simulators, can be directly coupled to the emerging field of fully resolved, highly detailed 3D-modeling approaches. We present the developed general framework for 1D/3D hybrid modeling and apply it to investigate electrically active neurons and their intracellular spatio-temporal calcium dynamics.

Cluster-Expansion Model for Complex Quinary Alloys: Application to Alnico Permanent Magnets

NASA Astrophysics Data System (ADS)

Nguyen, Manh Cuong; Zhou, Lin; Tang, Wei; Kramer, Matthew J.; Anderson, Iver E.; Wang, Cai-Zhuang; Ho, Kai-Ming

2017-11-01

An accurate and transferable cluster-expansion model for complex quinary alloys is developed. Lattice Monte Carlo simulation enabled by this cluster-expansion model is used to investigate temperature-dependent atomic structure of alnico alloys, which are considered as promising high-performance non-rare-earth permanent-magnet materials for high-temperature applications. The results of the Monte Carlo simulations are consistent with available experimental data and provide useful insights into phase decomposition, selection, and chemical ordering in alnico. The simulations also reveal a previously unrecognized D 03 alloy phase. This phase is very rich in Ni and exhibits very weak magnetization. Manipulating the size and location of this phase provides a possible route to improve the magnetic properties of alnico, especially coercivity.

Size-dependent phase diagrams of metallic alloys: A Monte Carlo simulation study on order–disorder transitions in Pt–Rh nanoparticles

PubMed Central

Stahl, Christian; Albe, Karsten

2012-01-01

Summary Nanoparticles of Pt–Rh were studied by means of lattice-based Monte Carlo simulations with respect to the stability of ordered D022- and 40-phases as a function of particle size and composition. By thermodynamic integration in the semi-grand canonical ensemble, phase diagrams for particles with a diameter of 7.8 nm, 4.3 nm and 3.1 nm were obtained. Size-dependent trends such as the lowering of the critical ordering temperature, the broadening of the compositional stability range of the ordered phases, and the narrowing of the two-phase regions were observed and discussed in the context of complete size-dependent nanoparticle phase diagrams. In addition, an ordered surface phase emerges at low temperatures and low platinum concentration. A decrease of platinum surface segregation with increasing global platinum concentration was observed, when a second, ordered phase is formed inside the core of the particle. The order–disorder transitions were analyzed in terms of the Warren–Cowley short-range order parameters. Concentration-averaged short-range order parameters were used to remove the surface segregation bias of the conventional short-range order parameters. Using this procedure, it was shown that the short-range order in the particles at high temperatures is bulk-like. PMID:22428091

High order discretization techniques for real-space ab initio simulations

NASA Astrophysics Data System (ADS)

Anderson, Christopher R.

2018-03-01

In this paper, we present discretization techniques to address numerical problems that arise when constructing ab initio approximations that use real-space computational grids. We present techniques to accommodate the singular nature of idealized nuclear and idealized electronic potentials, and we demonstrate the utility of using high order accurate grid based approximations to Poisson's equation in unbounded domains. To demonstrate the accuracy of these techniques, we present results for a Full Configuration Interaction computation of the dissociation of H2 using a computed, configuration dependent, orbital basis set.

Distributed Finite-Time Cooperative Control of Multiple High-Order Nonholonomic Mobile Robots.

PubMed

Du, Haibo; Wen, Guanghui; Cheng, Yingying; He, Yigang; Jia, Ruting

2017-12-01

The consensus problem of multiple nonholonomic mobile robots in the form of high-order chained structure is considered in this paper. Based on the model features and the finite-time control technique, a finite-time cooperative controller is explicitly constructed which guarantees that the states consensus is achieved in a finite time. As an application of the proposed results, finite-time formation control of multiple wheeled mobile robots is studied and a finite-time formation control algorithm is proposed. To show effectiveness of the proposed approach, a simulation example is given.

Leader–follower fixed-time consensus of multi-agent systems with high-order integrator dynamics

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

Tian, Bailing; Zuo, Zongyu; Wang, Hong

The leader-follower fixed-time consensus of high-order multi-agent systems with external disturbances is investigated in this paper. A novel sliding manifold is designed to ensure that the tracking errors converge to zero in a fixed-time during the sliding motion. Then, a distributed control law is designed based on Lyapunov technique to drive the system states to the sliding manifold in finite-time independent of initial conditions. Finally, the efficiency of the proposed method is illustrated by numerical simulations.

By-passing the sign-problem in Fermion Path Integral Monte Carlo simulations by use of high-order propagators

NASA Astrophysics Data System (ADS)

Chin, Siu A.

2014-03-01

The sign-problem in PIMC simulations of non-relativistic fermions increases in serverity with the number of fermions and the number of beads (or time-slices) of the simulation. A large of number of beads is usually needed, because the conventional primitive propagator is only second-order and the usual thermodynamic energy-estimator converges very slowly from below with the total imaginary time. The Hamiltonian energy-estimator, while more complicated to evaluate, is a variational upper-bound and converges much faster with the total imaginary time, thereby requiring fewer beads. This work shows that when the Hamiltonian estimator is used in conjunction with fourth-order propagators with optimizable parameters, the ground state energies of 2D parabolic quantum-dots with approximately 10 completely polarized electrons can be obtain with ONLY 3-5 beads, before the onset of severe sign problems. This work was made possible by NPRP GRANT #5-674-1-114 from the Qatar National Research Fund (a member of Qatar Foundation). The statements made herein are solely the responsibility of the author.

A Vortex Particle-Mesh method for subsonic compressible flows

NASA Astrophysics Data System (ADS)

Parmentier, Philippe; Winckelmans, Grégoire; Chatelain, Philippe

2018-02-01

This paper presents the implementation and validation of a remeshed Vortex Particle-Mesh (VPM) method capable of simulating complex compressible and viscous flows. It is supplemented with a radiation boundary condition in order for the method to accommodate the radiating quantities of the flow. The efficiency of the methodology relies on the use of an underlying grid; it allows the use of a FFT-based Poisson solver to calculate the velocity field, and the use of high-order isotropic finite differences to evaluate the non-advective terms in the Lagrangian form of the conservation equations. The Möhring analogy is then also used to further obtain the far-field sound produced by two co-rotating Gaussian vortices. It is demonstrated that the method is in excellent quantitative agreement with reference results that were obtained using a high-order Eulerian method and using a high-order remeshed Vortex Particle (VP) method.

Two-dimensional melting of colloids with long-range attractive interactions.

PubMed

Du, Di; Doxastakis, Manolis; Hilou, Elaa; Biswal, Sibani Lisa

2017-02-22

The solid-liquid melting transition in a two-dimensional (2-D) attractive colloidal system is visualized using superparamagnetic colloids that interact through a long-range isotropic attractive interaction potential, which is induced using a high-frequency rotating magnetic field. Various experiments, supported by Monte Carlo simulations, are carried out over a range of interaction potentials and densities to determine structure factors, Lindermann parameters, and translational and orientational order parameters. The system shows a first-order solid-liquid melting transition. Simulations and experiments suggest that dislocations and disclinations simultaneously unbind during melting. This is in direct contrast with reports of 2-D melting of paramagnetic particles that interact with a repulsive interaction potential.

Physician Utilization of a Hospital Information System: A Computer Simulation Model

PubMed Central

Anderson, James G.; Jay, Stephen J.; Clevenger, Stephen J.; Kassing, David R.; Perry, Jane; Anderson, Marilyn M.

1988-01-01

The purpose of this research was to develop a computer simulation model that represents the process through which physicians enter orders into a hospital information system (HIS). Computer simulation experiments were performed to estimate the effects of two methods of order entry on outcome variables. The results of the computer simulation experiments were used to perform a cost-benefit analysis to compare the two different means of entering medical orders into the HIS. The results indicate that the use of personal order sets to enter orders into the HIS will result in a significant reduction in manpower, salaries and fringe benefits, and errors in order entry.

Locally adaptive parallel temperature accelerated dynamics method

NASA Astrophysics Data System (ADS)

Shim, Yunsic; Amar, Jacques G.

2010-03-01

The recently-developed temperature-accelerated dynamics (TAD) method [M. Sørensen and A.F. Voter, J. Chem. Phys. 112, 9599 (2000)] along with the more recently developed parallel TAD (parTAD) method [Y. Shim et al, Phys. Rev. B 76, 205439 (2007)] allow one to carry out non-equilibrium simulations over extended time and length scales. The basic idea behind TAD is to speed up transitions by carrying out a high-temperature MD simulation and then use the resulting information to obtain event times at the desired low temperature. In a typical implementation, a fixed high temperature Thigh is used. However, in general one expects that for each configuration there exists an optimal value of Thigh which depends on the particular transition pathways and activation energies for that configuration. Here we present a locally adaptive high-temperature TAD method in which instead of using a fixed Thigh the high temperature is dynamically adjusted in order to maximize simulation efficiency. Preliminary results of the performance obtained from parTAD simulations of Cu/Cu(100) growth using the locally adaptive Thigh method will also be presented.

1D-Var multilayer assimilation of X-band SAR data into a detailed snowpack model

NASA Astrophysics Data System (ADS)

Phan, X. V.; Ferro-Famil, L.; Gay, M.; Durand, Y.; Dumont, M.; Morin, S.; Allain, S.; D'Urso, G.; Girard, A.

2014-10-01

The structure and physical properties of a snowpack and their temporal evolution may be simulated using meteorological data and a snow metamorphism model. Such an approach may meet limitations related to potential divergences and accumulated errors, to a limited spatial resolution, to wind or topography-induced local modulations of the physical properties of a snow cover, etc. Exogenous data are then required in order to constrain the simulator and improve its performance over time. Synthetic-aperture radars (SARs) and, in particular, recent sensors provide reflectivity maps of snow-covered environments with high temporal and spatial resolutions. The radiometric properties of a snowpack measured at sufficiently high carrier frequencies are known to be tightly related to some of its main physical parameters, like its depth, snow grain size and density. SAR acquisitions may then be used, together with an electromagnetic backscattering model (EBM) able to simulate the reflectivity of a snowpack from a set of physical descriptors, in order to constrain a physical snowpack model. In this study, we introduce a variational data assimilation scheme coupling TerraSAR-X radiometric data into the snowpack evolution model Crocus. The physical properties of a snowpack, such as snow density and optical diameter of each layer, are simulated by Crocus, fed by the local reanalysis of meteorological data (SAFRAN) at a French Alpine location. These snowpack properties are used as inputs of an EBM based on dense media radiative transfer (DMRT) theory, which simulates the total backscattering coefficient of a dry snow medium at X and higher frequency bands. After evaluating the sensitivity of the EBM to snowpack parameters, a 1D-Var data assimilation scheme is implemented in order to minimize the discrepancies between EBM simulations and observations obtained from TerraSAR-X acquisitions by modifying the physical parameters of the Crocus-simulated snowpack. The algorithm then re-initializes Crocus with the modified snowpack physical parameters, allowing it to continue the simulation of snowpack evolution, with adjustments based on remote sensing information. This method is evaluated using multi-temporal TerraSAR-X images acquired over the specific site of the Argentière glacier (Mont-Blanc massif, French Alps) to constrain the evolution of Crocus. Results indicate that X-band SAR data can be taken into account to modify the evolution of snowpack simulated by Crocus.

Analysis of high-speed rotating flow inside gas centrifuge casing

NASA Astrophysics Data System (ADS)

Pradhan, Sahadev, , Dr.

2017-10-01

The generalized analytical model for the radial boundary layer inside the gas centrifuge casing in which the inner cylinder is rotating at a constant angular velocity Ω_i while the outer one is stationary, is formulated for studying the secondary gas flow field due to wall thermal forcing, inflow/outflow of light gas along the boundaries, as well as due to the combination of the above two external forcing. The analytical model includes the sixth order differential equation for the radial boundary layer at the cylindrical curved surface in terms of master potential (χ) , which is derived from the equations of motion in an axisymmetric (r - z) plane. The linearization approximation is used, where the equations of motion are truncated at linear order in the velocity and pressure disturbances to the base flow, which is a solid-body rotation. Additional approximations in the analytical model include constant temperature in the base state (isothermal compressible Couette flow), high aspect ratio (length is large compared to the annular gap), high Reynolds number, but there is no limitation on the Mach number. The discrete eigenvalues and eigenfunctions of the linear operators (sixth-order in the radial direction for the generalized analytical equation) are obtained. The solutions for the secondary flow is determined in terms of these eigenvalues and eigenfunctions. These solutions are compared with direct simulation Monte Carlo (DSMC) simulations and found excellent agreement (with a difference of less than 15%) between the predictions of the analytical model and the DSMC simulations, provided the boundary conditions in the analytical model are accurately specified.

Analysis of high-speed rotating flow inside gas centrifuge casing

NASA Astrophysics Data System (ADS)

Pradhan, Sahadev, , Dr.

2017-09-01

The generalized analytical model for the radial boundary layer inside the gas centrifuge casing in which the inner cylinder is rotating at a constant angular velocity Ωi while the outer one is stationary, is formulated for studying the secondary gas flow field due to wall thermal forcing, inflow/outflow of light gas along the boundaries, as well as due to the combination of the above two external forcing. The analytical model includes the sixth order differential equation for the radial boundary layer at the cylindrical curved surface in terms of master potential (χ) , which is derived from the equations of motion in an axisymmetric (r - z) plane. The linearization approximation is used, where the equations of motion are truncated at linear order in the velocity and pressure disturbances to the base flow, which is a solid-body rotation. Additional approximations in the analytical model include constant temperature in the base state (isothermal compressible Couette flow), high aspect ratio (length is large compared to the annular gap), high Reynolds number, but there is no limitation on the Mach number. The discrete eigenvalues and eigenfunctions of the linear operators (sixth-order in the radial direction for the generalized analytical equation) are obtained. The solutions for the secondary flow is determined in terms of these eigenvalues and eigenfunctions. These solutions are compared with direct simulation Monte Carlo (DSMC) simulations and found excellent agreement (with a difference of less than 15%) between the predictions of the analytical model and the DSMC simulations, provided the boundary conditions in the analytical model are accurately specified.

Analysis of high-speed rotating flow inside gas centrifuge casing

NASA Astrophysics Data System (ADS)

Pradhan, Sahadev

2017-11-01

The generalized analytical model for the radial boundary layer inside the gas centrifuge casing in which the inner cylinder is rotating at a constant angular velocity Ωi while the outer one is stationary, is formulated for studying the secondary gas flow field due to wall thermal forcing, inflow/outflow of light gas along the boundaries, as well as due to the combination of the above two external forcing. The analytical model includes the sixth order differential equation for the radial boundary layer at the cylindrical curved surface in terms of master potential (χ) , which is derived from the equations of motion in an axisymmetric (r - z) plane. The linearization approximation is used, where the equations of motion are truncated at linear order in the velocity and pressure disturbances to the base flow, which is a solid-body rotation. Additional approximations in the analytical model include constant temperature in the base state (isothermal compressible Couette flow), high aspect ratio (length is large compared to the annular gap), high Reynolds number, but there is no limitation on the Mach number. The discrete eigenvalues and eigenfunctions of the linear operators (sixth-order in the radial direction for the generalized analytical equation) are obtained. The solutions for the secondary flow is determined in terms of these eigenvalues and eigenfunctions. These solutions are compared with direct simulation Monte Carlo (DSMC) simulations and found excellent agreement (with a difference of less than 15%) between the predictions of the analytical model and the DSMC simulations, provided the boundary conditions in the analytical model are accurately specified.

On mechanics and material length scales of failure in heterogeneous interfaces using a finite strain high performance solver

NASA Astrophysics Data System (ADS)

Mosby, Matthew; Matouš, Karel

2015-12-01

Three-dimensional simulations capable of resolving the large range of spatial scales, from the failure-zone thickness up to the size of the representative unit cell, in damage mechanics problems of particle reinforced adhesives are presented. We show that resolving this wide range of scales in complex three-dimensional heterogeneous morphologies is essential in order to apprehend fracture characteristics, such as strength, fracture toughness and shape of the softening profile. Moreover, we show that computations that resolve essential physical length scales capture the particle size-effect in fracture toughness, for example. In the vein of image-based computational materials science, we construct statistically optimal unit cells containing hundreds to thousands of particles. We show that these statistically representative unit cells are capable of capturing the first- and second-order probability functions of a given data-source with better accuracy than traditional inclusion packing techniques. In order to accomplish these large computations, we use a parallel multiscale cohesive formulation and extend it to finite strains including damage mechanics. The high-performance parallel computational framework is executed on up to 1024 processing cores. A mesh convergence and a representative unit cell study are performed. Quantifying the complex damage patterns in simulations consisting of tens of millions of computational cells and millions of highly nonlinear equations requires data-mining the parallel simulations, and we propose two damage metrics to quantify the damage patterns. A detailed study of volume fraction and filler size on the macroscopic traction-separation response of heterogeneous adhesives is presented.

Implementation of a sensor guided flight algorithm for target tracking by small UAS

NASA Astrophysics Data System (ADS)

Collins, Gaemus E.; Stankevitz, Chris; Liese, Jeffrey

2011-06-01

Small xed-wing UAS (SUAS) such as Raven and Unicorn have limited power, speed, and maneuverability. Their missions can be dramatically hindered by environmental conditions (wind, terrain), obstructions (buildings, trees) blocking clear line of sight to a target, and/or sensor hardware limitations (xed stare, limited gimbal motion, lack of zoom). Toyon's Sensor Guided Flight (SGF) algorithm was designed to account for SUAS hardware shortcomings and enable long-term tracking of maneuvering targets by maintaining persistent eyes-on-target. SGF was successfully tested in simulation with high-delity UAS, sensor, and environment models, but real- world ight testing with 60 Unicorn UAS revealed surprising second order challenges that were not highlighted by the simulations. This paper describes the SGF algorithm, our rst round simulation results, our second order discoveries from ight testing, and subsequent improvements that were made to the algorithm.

Towards Petascale DNS of High Reynolds-Number Turbulent Boundary Layer

NASA Astrophysics Data System (ADS)

Webster, Keegan R.

In flight vehicles, a large portion of fuel consumption is due to skin-friction drag. Reduction of this drag will significantly reduce the fuel consumption of flight vehicles and help our nation to reduce CO 2 emissions. In order to reduce skin-friction drag, an increased understanding of wall-turbulence is needed. Direct numerical simulation (DNS) of spatially developing turbulent boundary layers (SDTBL) can provide the fundamental understanding of wall-turbulence in order to produce models for Reynolds averaged Navier-Stokes (RANS) and large-eddy simulations (LES). DNS of SDTBL over a flat plate at Retheta = 1430 - 2900 were performed. Improvements were made to the DNS code allowing for higher Reynolds number simulations towards petascale DNS of turbulent boundary layers. Mesh refinement and improvements to the inflow and outflow boundary conditions have resulted in turbulence statistics that match more closely to experimental results. The Reynolds stresses and the terms of their evolution equations are reported.

Runtime Performance and Virtual Network Control Alternatives in VM-Based High-Fidelity Network Simulations

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

Yoginath, Srikanth B; Perumalla, Kalyan S; Henz, Brian J

2012-01-01

In prior work (Yoginath and Perumalla, 2011; Yoginath, Perumalla and Henz, 2012), the motivation, challenges and issues were articulated in favor of virtual time ordering of Virtual Machines (VMs) in network simulations hosted on multi-core machines. Two major components in the overall virtualization challenge are (1) virtual timeline establishment and scheduling of VMs, and (2) virtualization of inter-VM communication. Here, we extend prior work by presenting scaling results for the first component, with experiment results on up to 128 VMs scheduled in virtual time order on a single 12-core host. We also explore the solution space of design alternatives formore » the second component, and present performance results from a multi-threaded, multi-queue implementation of inter-VM network control for synchronized execution with VM scheduling, incorporated in our NetWarp simulation system.« less

Optical design and simulation of a new coherence beamline at NSLS-II

NASA Astrophysics Data System (ADS)

Williams, Garth J.; Chubar, Oleg; Berman, Lonny; Chu, Yong S.; Robinson, Ian K.

2017-08-01

We will discuss the optical design for a proposed beamline at NSLS-II, a late-third generation storage ring source, designed to exploit the spatial coherence of the X-rays to extract high-resolution spatial information from ordered and disordered materials through Coherent Diffractive Imaging, executed in the Bragg- and forward-scattering geometries. This technique offers a powerful tool to image sub-10 nm spatial features and, within ordered materials, sub-Angstrom mapping of deformation fields. Driven by the opportunity to apply CDI to a wide range of samples, with sizes ranging from sub-micron to tens-of-microns, two optical designs have been proposed and simulated under a wide variety of optical configurations using the software package Synchrotron Radiation Workshop. The designs, their goals, and the results of the simulation, including NSLS-II ring and undulator source parameters, of the beamline performance as a function of its variable optical components is described.

The next-generation ESL continuum gyrokinetic edge code

NASA Astrophysics Data System (ADS)

Cohen, R.; Dorr, M.; Hittinger, J.; Rognlien, T.; Collela, P.; Martin, D.

2009-05-01

The Edge Simulation Laboratory (ESL) project is developing continuum-based approaches to kinetic simulation of edge plasmas. A new code is being developed, based on a conservative formulation and fourth-order discretization of full-f gyrokinetic equations in parallel-velocity, magnetic-moment coordinates. The code exploits mapped multiblock grids to deal with the geometric complexities of the edge region, and utilizes a new flux limiter [P. Colella and M.D. Sekora, JCP 227, 7069 (2008)] to suppress unphysical oscillations about discontinuities while maintaining high-order accuracy elsewhere. The code is just becoming operational; we will report initial tests for neoclassical orbit calculations in closed-flux surface and limiter (closed plus open flux surfaces) geometry. It is anticipated that the algorithmic refinements in the new code will address the slow numerical instability that was observed in some long simulations with the existing TEMPEST code. We will also discuss the status and plans for physics enhancements to the new code.

A robust method of computing finite difference coefficients based on Vandermonde matrix

NASA Astrophysics Data System (ADS)

Zhang, Yijie; Gao, Jinghuai; Peng, Jigen; Han, Weimin

2018-05-01

When the finite difference (FD) method is employed to simulate the wave propagation, high-order FD method is preferred in order to achieve better accuracy. However, if the order of FD scheme is high enough, the coefficient matrix of the formula for calculating finite difference coefficients is close to be singular. In this case, when the FD coefficients are computed by matrix inverse operator of MATLAB, inaccuracy can be produced. In order to overcome this problem, we have suggested an algorithm based on Vandermonde matrix in this paper. After specified mathematical transformation, the coefficient matrix is transformed into a Vandermonde matrix. Then the FD coefficients of high-order FD method can be computed by the algorithm of Vandermonde matrix, which prevents the inverse of the singular matrix. The dispersion analysis and numerical results of a homogeneous elastic model and a geophysical model of oil and gas reservoir demonstrate that the algorithm based on Vandermonde matrix has better accuracy compared with matrix inverse operator of MATLAB.

Second-order sliding mode control for DFIG-based wind turbines fault ride-through capability enhancement.

PubMed

Benbouzid, Mohamed; Beltran, Brice; Amirat, Yassine; Yao, Gang; Han, Jingang; Mangel, Hervé

2014-05-01

This paper deals with the fault ride-through capability assessment of a doubly fed induction generator-based wind turbine using a high-order sliding mode control. Indeed, it has been recently suggested that sliding mode control is a solution of choice to the fault ride-through problem. In this context, this paper proposes a second-order sliding mode as an improved solution that handle the classical sliding mode chattering problem. Indeed, the main and attractive features of high-order sliding modes are robustness against external disturbances, the grids faults in particular, and chattering-free behavior (no extra mechanical stress on the wind turbine drive train). Simulations using the NREL FAST code on a 1.5-MW wind turbine are carried out to evaluate ride-through performance of the proposed high-order sliding mode control strategy in case of grid frequency variations and unbalanced voltage sags. Copyright © 2014 ISA. Published by Elsevier Ltd. All rights reserved.

Simulating the Evolving Behavior of Secondary Slow Slip Fronts

NASA Astrophysics Data System (ADS)

Peng, Y.; Rubin, A. M.

2017-12-01

High-resolution tremor catalogs of slow slip events reveal secondary slow slip fronts behind the main front that repetitively occupy the same source area during a single episode. These repetitive fronts are most often observed in regions with high tremor density. Their recurrence intervals gradually increase from being too short to be tidally modulated (tens of minutes) to being close to tidal periods (about 12 or 24 hours). This could be explained by a decreasing loading rate from creep in the surrounding regions (with few or no observable tremor events) as the main front passes by. As the recurrence intervals of the fronts increase, eventually they lock in on the tidal periods. We attempt to simulate this numerically using a rate-and-state friction law that transitions from velocity-weakening at low slip speeds to velocity strengthening at high slip speeds. Many small circular patches with a cutoff velocity an order of magnitude higher than that of the background are randomly placed on the fault, in order to simulate the average properties of the high-density tremor zone. Preliminary results show that given reasonable parameters, this model produces similar propagation speeds of the forward-migrating main front inside and outside the high-density tremor zone, consistent with observations. We will explore the behavior of the secondary fronts that arise in this model, in relation to the local density of the small tremor-analog patches, the overall geometry of the tremor zone and the tides.

High-speed extended-term time-domain simulation for online cascading analysis of power system

NASA Astrophysics Data System (ADS)

Fu, Chuan

A high-speed extended-term (HSET) time domain simulator (TDS), intended to become a part of an energy management system (EMS), has been newly developed for use in online extended-term dynamic cascading analysis of power systems. HSET-TDS includes the following attributes for providing situational awareness of high-consequence events: (i) online analysis, including n-1 and n-k events, (ii) ability to simulate both fast and slow dynamics for 1-3 hours in advance, (iii) inclusion of rigorous protection-system modeling, (iv) intelligence for corrective action ID, storage, and fast retrieval, and (v) high-speed execution. Very fast on-line computational capability is the most desired attribute of this simulator. Based on the process of solving algebraic differential equations describing the dynamics of power system, HSET-TDS seeks to develop computational efficiency at each of the following hierarchical levels, (i) hardware, (ii) strategies, (iii) integration methods, (iv) nonlinear solvers, and (v) linear solver libraries. This thesis first describes the Hammer-Hollingsworth 4 (HH4) implicit integration method. Like the trapezoidal rule, HH4 is symmetrically A-Stable but it possesses greater high-order precision (h4 ) than the trapezoidal rule. Such precision enables larger integration steps and therefore improves simulation efficiency for variable step size implementations. This thesis provides the underlying theory on which we advocate use of HH4 over other numerical integration methods for power system time-domain simulation. Second, motivated by the need to perform high speed extended-term time domain simulation (HSET-TDS) for on-line purposes, this thesis presents principles for designing numerical solvers of differential algebraic systems associated with power system time-domain simulation, including DAE construction strategies (Direct Solution Method), integration methods(HH4), nonlinear solvers(Very Dishonest Newton), and linear solvers(SuperLU). We have implemented a design appropriate for HSET-TDS, and we compare it to various solvers, including the commercial grade PSSE program, with respect to computational efficiency and accuracy, using as examples the New England 39 bus system, the expanded 8775 bus system, and PJM 13029 buses system. Third, we have explored a stiffness-decoupling method, intended to be part of parallel design of time domain simulation software for super computers. The stiffness-decoupling method is able to combine the advantages of implicit methods (A-stability) and explicit method(less computation). With the new stiffness detection method proposed herein, the stiffness can be captured. The expanded 975 buses system is used to test simulation efficiency. Finally, several parallel strategies for super computer deployment to simulate power system dynamics are proposed and compared. Design A partitions the task via scale with the stiffness decoupling method, waveform relaxation, and parallel linear solver. Design B partitions the task via the time axis using a highly precise integration method, the Kuntzmann-Butcher Method - order 8 (KB8). The strategy of partitioning events is designed to partition the whole simulation via the time axis through a simulated sequence of cascading events. For all strategies proposed, a strategy of partitioning cascading events is recommended, since the sub-tasks for each processor are totally independent, and therefore minimum communication time is needed.

SFG synthesis of general high-order all-pass and all-pole current transfer functions using CFTAs.

PubMed

Tangsrirat, Worapong

2014-01-01

An approach of using the signal flow graph (SFG) technique to synthesize general high-order all-pass and all-pole current transfer functions with current follower transconductance amplifiers (CFTAs) and grounded capacitors has been presented. For general nth-order systems, the realized all-pass structure contains at most n + 1 CFTAs and n grounded capacitors, while the all-pole lowpass circuit requires only n CFTAs and n grounded capacitors. The resulting circuits obtained from the synthesis procedure are resistor-less structures and especially suitable for integration. They also exhibit low-input and high-output impedances and also convenient electronic controllability through the g m-value of the CFTA. Simulation results using real transistor model parameters ALA400 are also included to confirm the theory.

SFG Synthesis of General High-Order All-Pass and All-Pole Current Transfer Functions Using CFTAs

PubMed Central

Tangsrirat, Worapong

2014-01-01

An approach of using the signal flow graph (SFG) technique to synthesize general high-order all-pass and all-pole current transfer functions with current follower transconductance amplifiers (CFTAs) and grounded capacitors has been presented. For general nth-order systems, the realized all-pass structure contains at most n + 1 CFTAs and n grounded capacitors, while the all-pole lowpass circuit requires only n CFTAs and n grounded capacitors. The resulting circuits obtained from the synthesis procedure are resistor-less structures and especially suitable for integration. They also exhibit low-input and high-output impedances and also convenient electronic controllability through the g m-value of the CFTA. Simulation results using real transistor model parameters ALA400 are also included to confirm the theory. PMID:24688375

Observation of high-order quantum resonances in the kicked rotor.

PubMed

Kanem, J F; Maneshi, S; Partlow, M; Spanner, M; Steinberg, A M

2007-02-23

Quantum resonances in the kicked rotor are characterized by a dramatically increased energy absorption rate, in stark contrast to the momentum localization generally observed. These resonances occur when the scaled Planck's constant Planck's [over ]=r/s 4pi, for any integers r and s. However, only the variant Planck's [over ]=r2pi resonances are easily observable. We have observed high-order quantum resonances (s>2) utilizing a sample of low energy, noncondensed atoms and a pulsed optical standing wave. Resonances are observed for variant Planck's [over ]=r/16 4pi for integers r=2-6. Quantum numerical simulations suggest that our observation of high-order resonances indicate a larger coherence length (i.e., coherence between different wells) than expected from an initially thermal atomic sample.

Directed liquid phase assembly of highly ordered metallic nanoparticle arrays

DOE PAGES

Wu, Yueying; Dong, Nanyi; Fu, Shaofang; ...

2014-04-01

Directed assembly of nanomaterials is a promising route for the synthesis of advanced materials and devices. We demonstrate the directed-assembly of highly ordered two-dimensional arrays of hierarchical nanostructures with tunable size, spacing and composition. The directed assembly is achieved on lithographically patterned metal films that are subsequently pulse-laser melted; during the brief liquid lifetime, the pattened nanostructures assemble into highly ordered primary and secondary nanoparticles, with sizes below that which was originally patterned. Complementary fluid-dynamics simulations emulate the resultant patterns and show how the competition of capillary forces and liquid metal–solid substrate interaction potential drives the directed assembly. Lastly, asmore » an example of the enhanced functionality, a full-wave electromagnetic analysis has been performed to identify the nature of the supported plasmonic resonances.« less

An Accurate Fire-Spread Algorithm in the Weather Research and Forecasting Model Using the Level-Set Method

NASA Astrophysics Data System (ADS)

Muñoz-Esparza, Domingo; Kosović, Branko; Jiménez, Pedro A.; Coen, Janice L.

2018-04-01

The level-set method is typically used to track and propagate the fire perimeter in wildland fire models. Herein, a high-order level-set method using fifth-order WENO scheme for the discretization of spatial derivatives and third-order explicit Runge-Kutta temporal integration is implemented within the Weather Research and Forecasting model wildland fire physics package, WRF-Fire. The algorithm includes solution of an additional partial differential equation for level-set reinitialization. The accuracy of the fire-front shape and rate of spread in uncoupled simulations is systematically analyzed. It is demonstrated that the common implementation used by level-set-based wildfire models yields to rate-of-spread errors in the range 10-35% for typical grid sizes (Δ = 12.5-100 m) and considerably underestimates fire area. Moreover, the amplitude of fire-front gradients in the presence of explicitly resolved turbulence features is systematically underestimated. In contrast, the new WRF-Fire algorithm results in rate-of-spread errors that are lower than 1% and that become nearly grid independent. Also, the underestimation of fire area at the sharp transition between the fire front and the lateral flanks is found to be reduced by a factor of ≈7. A hybrid-order level-set method with locally reduced artificial viscosity is proposed, which substantially alleviates the computational cost associated with high-order discretizations while preserving accuracy. Simulations of the Last Chance wildfire demonstrate additional benefits of high-order accurate level-set algorithms when dealing with complex fuel heterogeneities, enabling propagation across narrow fuel gaps and more accurate fire backing over the lee side of no fuel clusters.

A high order cell-centered semi-Lagrangian scheme for multi-dimensional kinetic simulations of neutral gas flows

NASA Astrophysics Data System (ADS)

Güçlü, Y.; Hitchon, W. N. G.

2012-04-01

The term 'Convected Scheme' (CS) refers to a family of algorithms, most usually applied to the solution of Boltzmann's equation, which uses a method of characteristics in an integral form to project an initial cell forward to a group of final cells. As such the CS is a 'forward-trajectory' semi-Lagrangian scheme. For multi-dimensional simulations of neutral gas flows, the cell-centered version of this semi-Lagrangian (CCSL) scheme has advantages over other options due to its implementation simplicity, low memory requirements, and easier treatment of boundary conditions. The main drawback of the CCSL-CS to date has been its high numerical diffusion in physical space, because of the 2nd order remapping that takes place at the end of each time step. By means of a modified equation analysis, it is shown that a high order estimate of the remapping error can be obtained a priori, and a small correction to the final position of the cells can be applied upon remapping, in order to achieve full compensation of this error. The resulting scheme is 4th order accurate in space while retaining the desirable properties of the CS: it is conservative and positivity-preserving, and the overall algorithm complexity is not appreciably increased. Two monotone (i.e. non-oscillating) versions of the fourth order CCSL-CS are also presented: one uses a common flux-limiter approach; the other uses a non-polynomial reconstruction to evaluate the derivatives of the density function. The method is illustrated in simple one- and two-dimensional examples, and a fully 3D solution of the Boltzmann equation describing expansion of a gas into vacuum through a cylindrical tube.

Dynamic process of high-current vacuum arc with consideration of magnetic field delay: numerical simulation and comparisons with the experiments

NASA Astrophysics Data System (ADS)

Yang, Dingge; Wang, Lijun; Jia, Shenli; Huo, Xintao; Zhang, Ling; Liu, Ke; Shi, Zongqian

2009-03-01

Based on a two-dimensional magnetohydrodynamic model, the dynamic process in a high-current vacuum arc (as in a high-power circuit breaker) was simulated and analysed. A half-wave of sinusoidal current was represented as a series of discrete steps, rather than as a continuous wave. The simulation was done at each step, i.e. at each of the discrete current values. In the simulation, the phase delay by which the axial magnetic field lags the current was taken into account. The curves which represent the variation of arc parameters (such as electron temperature) look sinusoidal, but the parameter values at a discrete moment in the second 1/4 cycle are smaller than those at the corresponding moment in the first 1/4 cycle (although the currents are equal at these two moments). This is perhaps mainly due to the magnetic field delay. In order to verify the correctness of the simulation, the simulation results were compared in part with the experimental results. It was seen from the experimental results that the arc column was darker but more uniform in the second 1/4 cycle than in the first 1/4 cycle, in agreement with the simulation results.

Computer simulations in the high school: students' cognitive stages, science process skills and academic achievement in microbiology

NASA Astrophysics Data System (ADS)

Huppert, J.; Michal Lomask, S.; Lazarowitz, R.

2002-08-01

Computer-assisted learning, including simulated experiments, has great potential to address the problem solving process which is a complex activity. It requires a highly structured approach in order to understand the use of simulations as an instructional device. This study is based on a computer simulation program, 'The Growth Curve of Microorganisms', which required tenth grade biology students to use problem solving skills whilst simultaneously manipulating three independent variables in one simulated experiment. The aims were to investigate the computer simulation's impact on students' academic achievement and on their mastery of science process skills in relation to their cognitive stages. The results indicate that the concrete and transition operational students in the experimental group achieved significantly higher academic achievement than their counterparts in the control group. The higher the cognitive operational stage, the higher students' achievement was, except in the control group where students in the concrete and transition operational stages did not differ. Girls achieved equally with the boys in the experimental group. Students' academic achievement may indicate the potential impact a computer simulation program can have, enabling students with low reasoning abilities to cope successfully with learning concepts and principles in science which require high cognitive skills.

Shape induced magnetic vortex state in hexagonal ordered cofe nanodot arrays using ultrathin alumina shadow mask

NASA Astrophysics Data System (ADS)

Sellarajan, B.; Saravanan, P.; Ghosh, S. K.; Nagaraja, H. S.; Barshilia, Harish C.; Chowdhury, P.

2018-04-01

The magnetization reversal process of hexagonal ordered CoFe nanodot arrays was investigated as a function of nanodot thickness (td) varying from 10 to 30 nm with fixed diameter. For this purpose, ordered CoFe nanodots with a diameter of 80 ± 4 nm were grown by sputtering using ultra-thin alumina mask. The vortex annihilation and the dynamic spin configuration in the ordered CoFe nanodots were analyzed by means of magnetic hysteresis loops in complement with the micromagnetic simulation studies. A highly pinched hysteresis loop observed at 20 nm thickness suggests the occurrence of vortex state in these nanodots. With increase in dot thickness from 10 to 30 nm, the estimated coercivity values tend to increase from 80 to 175 Oe, indicating irreversible change in the nucleation/annihilation field of vortex state. The measured magnetic properties were then corroborated with the change in the shape of the nanodots from disk to hemisphere through micromagnetic simulation.

Short-Range Order and Collective Dynamics of DMPC Bilayers: A Comparison between Molecular Dynamics Simulations, X-Ray, and Neutron Scattering Experiments

PubMed Central

Hub, Jochen S.; Salditt, Tim; Rheinstädter, Maikel C.; de Groot, Bert L.

2007-01-01

We present an extensive comparison of short-range order and short wavelength dynamics of a hydrated phospholipid bilayer derived by molecular dynamics simulations, elastic x-ray, and inelastic neutron scattering experiments. The quantities that are compared between simulation and experiment include static and dynamic structure factors, reciprocal space mappings, and electron density profiles. We show that the simultaneous use of molecular dynamics and diffraction data can help to extract real space properties like the area per lipid and the lipid chain ordering from experimental data. In addition, we assert that the interchain distance can be computed to high accuracy from the interchain correlation peak of the structure factor. Moreover, it is found that the position of the interchain correlation peak is not affected by the area per lipid, while its correlation length decreases linearly with the area per lipid. This finding allows us to relate a property of the structure factor quantitatively to the area per lipid. Finally, the short wavelength dynamics obtained from the simulations and from inelastic neutron scattering are analyzed and compared. The conventional interpretation in terms of the three-effective-eigenmode model is found to be only partly suitable to describe the complex fluid dynamics of lipid chains. PMID:17631531

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

Kim, Sang Beom; Dsilva, Carmeline J.; Debenedetti, Pablo G., E-mail: pdebene@princeton.edu

Understanding the mechanisms by which proteins fold from disordered amino-acid chains to spatially ordered structures remains an area of active inquiry. Molecular simulations can provide atomistic details of the folding dynamics which complement experimental findings. Conventional order parameters, such as root-mean-square deviation and radius of gyration, provide structural information but fail to capture the underlying dynamics of the protein folding process. It is therefore advantageous to adopt a method that can systematically analyze simulation data to extract relevant structural as well as dynamical information. The nonlinear dimensionality reduction technique known as diffusion maps automatically embeds the high-dimensional folding trajectories inmore » a lower-dimensional space from which one can more easily visualize folding pathways, assuming the data lie approximately on a lower-dimensional manifold. The eigenvectors that parametrize the low-dimensional space, furthermore, are determined systematically, rather than chosen heuristically, as is done with phenomenological order parameters. We demonstrate that diffusion maps can effectively characterize the folding process of a Trp-cage miniprotein. By embedding molecular dynamics simulation trajectories of Trp-cage folding in diffusion maps space, we identify two folding pathways and intermediate structures that are consistent with the previous studies, demonstrating that this technique can be employed as an effective way of analyzing and constructing protein folding pathways from molecular simulations.« less

A simulation study on garment manufacturing process

NASA Astrophysics Data System (ADS)

Liong, Choong-Yeun; Rahim, Nur Azreen Abdul

2015-02-01

Garment industry is an important industry and continues to evolve in order to meet the consumers' high demands. Therefore, elements of innovation and improvement are important. In this work, research studies were conducted at a local company in order to model the sewing process of clothes manufacturing by using simulation modeling. Clothes manufacturing at the company involves 14 main processes, which are connecting the pattern, center sewing and side neating, pockets sewing, backside-sewing, attaching the front and back, sleeves preparation, attaching the sleeves and over lock, collar preparation, collar sewing, bottomedge sewing, buttonholing sewing, removing excess thread, marking button, and button cross sewing. Those fourteen processes are operated by six tailors only. The last four sets of processes are done by a single tailor. Data collection was conducted by on site observation and the probability distribution of processing time for each of the processes is determined by using @Risk's Bestfit. Then a simulation model is developed using Arena Software based on the data collected. Animated simulation model is developed in order to facilitate understanding and verifying that the model represents the actual system. With such model, what if analysis and different scenarios of operations can be experimented with virtually. The animation and improvement models will be presented in further work.

Large eddy simulation of turbine wakes using higher-order methods

NASA Astrophysics Data System (ADS)

Deskos, Georgios; Laizet, Sylvain; Piggott, Matthew D.; Sherwin, Spencer

2017-11-01

Large eddy simulations (LES) of a horizontal-axis turbine wake are presented using the well-known actuator line (AL) model. The fluid flow is resolved by employing higher-order numerical schemes on a 3D Cartesian mesh combined with a 2D Domain Decomposition strategy for an efficient use of supercomputers. In order to simulate flows at relatively high Reynolds numbers for a reasonable computational cost, a novel strategy is used to introduce controlled numerical dissipation to a selected range of small scales. The idea is to mimic the contribution of the unresolved small-scales by imposing a targeted numerical dissipation at small scales when evaluating the viscous term of the Navier-Stokes equations. The numerical technique is shown to behave similarly to the traditional eddy viscosity sub-filter scale models such as the classic or the dynamic Smagorinsky models. The results from the simulations are compared to experimental data for a Reynolds number scaled by the diameter equal to ReD =1,000,000 and both the time-averaged stream wise velocity and turbulent kinetic energy (TKE) are showing a good overall agreement. At the end, suggestions for the amount of numerical dissipation required by our approach are made for the particular case of horizontal-axis turbine wakes.

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

Pirozhkov, A.S.; Kando, M.; Esirkepov, T.Zh.

We propose a new mechanism of high-order harmonic generation during an interaction of a high-intensity laser pulse with underdense plasma. A tightly focused laser pulse creates a cavity in plasma pushing electrons aside and exciting the wake wave and the bow wave. At the joint of the cavity wall and the bow wave boundary, an annular spike of electron density is formed. This spike surrounds the cavity and moves together with the laser pulse. Collective motion of electrons in the spike driven by the laser field generates high-order harmonics. A strong localization of the electron spike, its robustness to oscillationsmore » imposed by the laser field and, consequently, its ability to produce high-order harmonics is explained by catastrophe theory. The proposed mechanism explains the experimental observations of high-order harmonics with the 9 TW J-KAREN laser (JAEA, Japan) and the 120 TW Astra Gemini laser (CLF RAL, UK) [A. S. Pirozhkov, et al., arXiv:1004.4514 (2010); A. S. Pirozhkov et al, AIP Proceedings, this volume]. The theory is corroborated by high-resolution two-and three-dimensional particle-in-cell simulations.« less

Full 3-D OCT-based pseudophakic custom computer eye model

PubMed Central

Sun, M.; Pérez-Merino, P.; Martinez-Enriquez, E.; Velasco-Ocana, M.; Marcos, S.

2016-01-01

We compared measured wave aberrations in pseudophakic eyes implanted with aspheric intraocular lenses (IOLs) with simulated aberrations from numerical ray tracing on customized computer eye models, built using quantitative 3-D OCT-based patient-specific ocular geometry. Experimental and simulated aberrations show high correlation (R = 0.93; p<0.0001) and similarity (RMS for high order aberrations discrepancies within 23.58%). This study shows that full OCT-based pseudophakic custom computer eye models allow understanding the relative contribution of optical geometrical and surgically-related factors to image quality, and are an excellent tool for characterizing and improving cataract surgery. PMID:27231608

Control order and visuomotor strategy development for joystick-steered underground shuttle cars.

PubMed

Cloete, Steven; Zupanc, Christine; Burgess-Limerick, Robin; Wallis, Guy

2014-09-01

In this simulator-based study, we aimed to quantify performance differences between joystick steering systems using first-order and second-order control, which are used in underground coal mining shuttle cars. In addition, we conducted an exploratory analysis of how users of the more difficult, second-order system changed their behavior over time. Evidence from the visuomotor control literature suggests that higher-order control devices are not intuitive, which could pose a significant risk to underground mine personnel, equipment, and infrastructure. Thirty-six naive participants were randomly assigned to first- and second-order conditions and completed three experimental trials comprising sequences of 90 degrees turns in a virtual underground mine environment, with velocity held constant at 9 km/h(-1). Performance measures were lateral deviation, steering angle variability, high-frequency steering content, joystick activity, and cumulative time in collision with the virtual mine wall. The second-order control group exhibited significantly poorer performance for all outcome measures. In addition, a series of correlation analyses revealed that changes in strategy were evident in the second-order group but not the first-order group. Results were consistent with previous literature indicating poorer performance with higher-order control devices and caution against the adoption of the second-order joystick system for underground shuttle cars. Low-cost, portable simulation platforms may provide an effective basis for operator training and recruitment.

A soft decoding algorithm and hardware implementation for the visual prosthesis based on high order soft demodulation.

PubMed

Yang, Yuan; Quan, Nannan; Bu, Jingjing; Li, Xueping; Yu, Ningmei

2016-09-26

High order modulation and demodulation technology can solve the frequency requirement between the wireless energy transmission and data communication. In order to achieve reliable wireless data communication based on high order modulation technology for visual prosthesis, this work proposed a Reed-Solomon (RS) error correcting code (ECC) circuit on the basis of differential amplitude and phase shift keying (DAPSK) soft demodulation. Firstly, recognizing the weakness of the traditional DAPSK soft demodulation algorithm based on division that is complex for hardware implementation, an improved phase soft demodulation algorithm for visual prosthesis to reduce the hardware complexity is put forward. Based on this new algorithm, an improved RS soft decoding method is hence proposed. In this new decoding method, the combination of Chase algorithm and hard decoding algorithms is used to achieve soft decoding. In order to meet the requirements of implantable visual prosthesis, the method to calculate reliability of symbol-level based on multiplication of bit reliability is derived, which reduces the testing vectors number of Chase algorithm. The proposed algorithms are verified by MATLAB simulation and FPGA experimental results. During MATLAB simulation, the biological channel attenuation property model is added into the ECC circuit. The data rate is 8 Mbps in the MATLAB simulation and FPGA experiments. MATLAB simulation results show that the improved phase soft demodulation algorithm proposed in this paper saves hardware resources without losing bit error rate (BER) performance. Compared with the traditional demodulation circuit, the coding gain of the ECC circuit has been improved by about 3 dB under the same BER of [Formula: see text]. The FPGA experimental results show that under the condition of data demodulation error with wireless coils 3 cm away, the system can correct it. The greater the distance, the higher the BER. Then we use a bit error rate analyzer to measure BER of the demodulation circuit and the RS ECC circuit with different distance of two coils. And the experimental results show that the RS ECC circuit has about an order of magnitude lower BER than the demodulation circuit when under the same coils distance. Therefore, the RS ECC circuit has more higher reliability of the communication in the system. The improved phase soft demodulation algorithm and soft decoding algorithm proposed in this paper enables data communication that is more reliable than other demodulation system, which also provide a significant reference for further study to the visual prosthesis system.

Development of Simulated Disturbing Source for Isolation Switch

NASA Astrophysics Data System (ADS)

Cheng, Lin; Liu, Xiang; Deng, Xiaoping; Pan, Zhezhe; Zhou, Hang; Zhu, Yong

2018-01-01

In order to simulate the substation in the actual scene of the harsh electromagnetic environment, and then research on electromagnetic compatibility testing of electronic instrument transformer, On the basis of the original isolation switch as a harassment source of the electronic instrument transformer electromagnetic compatibility test system, an isolated switch simulation source system was developed, to promote the standardization of the original test. In this paper, the circuit breaker is used to control the opening and closing of the gap arc to simulate the operating of isolating switch, and the isolation switch simulation harassment source system is designed accordingly. Comparison with the actual test results of the isolating switch, it is proved that the system can meet the test requirements, and the simulation harassment source system has good stability and high reliability.

In Silico Dynamics: computer simulation in a Virtual Embryo (SOT)

EPA Science Inventory

Abstract: Utilizing cell biological information to predict higher order biological processes is a significant challenge in predictive toxicology. This is especially true for highly dynamical systems such as the embryo where morphogenesis, growth and differentiation require preci...

Large liquid rocket engine transient performance simulation system

NASA Technical Reports Server (NTRS)

Mason, J. R.; Southwick, R. D.

1991-01-01

A simulation system, ROCETS, was designed and developed to allow cost-effective computer predictions of liquid rocket engine transient performance. The system allows a user to generate a simulation of any rocket engine configuration using component modules stored in a library through high-level input commands. The system library currently contains 24 component modules, 57 sub-modules and maps, and 33 system routines and utilities. FORTRAN models from other sources can be operated in the system upon inclusion of interface information on comment cards. Operation of the simulation is simplified for the user by run, execution, and output processors. The simulation system makes available steady-state trim balance, transient operation, and linear partial generation. The system utilizes a modern equation solver for efficient operation of the simulations. Transient integration methods include integral and differential forms for the trapezoidal, first order Gear, and second order Gear corrector equations. A detailed technology test bed engine (TTBE) model was generated to be used as the acceptance test of the simulation system. The general level of model detail was that reflected in the Space Shuttle Main Engine DTM. The model successfully obtained steady-state balance in main stage operation and simulated throttle transients, including engine starts and shutdown. A NASA FORTRAN control model was obtained, ROCETS interface installed in comment cards, and operated with the TTBE model in closed-loop transient mode.

Reparameterization of All-Atom Dipalmitoylphosphatidylcholine Lipid Parameters Enables Simulation of Fluid Bilayers at Zero Tension

PubMed Central

Sonne, Jacob; Jensen, Morten Ø.; Hansen, Flemming Y.; Hemmingsen, Lars; Peters, Günther H.

2007-01-01

Molecular dynamics simulations of dipalmitoylphosphatidylcholine (DPPC) lipid bilayers using the CHARMM27 force field in the tensionless isothermal-isobaric (NPT) ensemble give highly ordered, gel-like bilayers with an area per lipid of ∼48 Å2. To obtain fluid (Lα) phase properties of DPPC bilayers represented by the CHARMM energy function in this ensemble, we reparameterized the atomic partial charges in the lipid headgroup and upper parts of the acyl chains. The new charges were determined from the electron structure using both the Mulliken method and the restricted electrostatic potential fitting method. We tested the derived charges in molecular dynamics simulations of a fully hydrated DPPC bilayer. Only the simulation with the new restricted electrostatic potential charges shows significant improvements compared with simulations using the original CHARMM27 force field resulting in an area per lipid of 60.4 ± 0.1 Å2. Compared to the 48 Å2, the new value of 60.4 Å2 is in fair agreement with the experimental value of 64 Å2. In addition, the simulated order parameter profile and electron density profile are in satisfactory agreement with experimental data. Thus, the biologically more interesting fluid phase of DPPC bilayers can now be simulated in all-atom simulations in the NPT ensemble by employing our modified CHARMM27 force field. PMID:17400696

1D-3D hybrid modeling—from multi-compartment models to full resolution models in space and time

PubMed Central

Grein, Stephan; Stepniewski, Martin; Reiter, Sebastian; Knodel, Markus M.; Queisser, Gillian

2014-01-01

Investigation of cellular and network dynamics in the brain by means of modeling and simulation has evolved into a highly interdisciplinary field, that uses sophisticated modeling and simulation approaches to understand distinct areas of brain function. Depending on the underlying complexity, these models vary in their level of detail, in order to cope with the attached computational cost. Hence for large network simulations, single neurons are typically reduced to time-dependent signal processors, dismissing the spatial aspect of each cell. For single cell or networks with relatively small numbers of neurons, general purpose simulators allow for space and time-dependent simulations of electrical signal processing, based on the cable equation theory. An emerging field in Computational Neuroscience encompasses a new level of detail by incorporating the full three-dimensional morphology of cells and organelles into three-dimensional, space and time-dependent, simulations. While every approach has its advantages and limitations, such as computational cost, integrated and methods-spanning simulation approaches, depending on the network size could establish new ways to investigate the brain. In this paper we present a hybrid simulation approach, that makes use of reduced 1D-models using e.g., the NEURON simulator—which couples to fully resolved models for simulating cellular and sub-cellular dynamics, including the detailed three-dimensional morphology of neurons and organelles. In order to couple 1D- and 3D-simulations, we present a geometry-, membrane potential- and intracellular concentration mapping framework, with which graph- based morphologies, e.g., in the swc- or hoc-format, are mapped to full surface and volume representations of the neuron and computational data from 1D-simulations can be used as boundary conditions for full 3D simulations and vice versa. Thus, established models and data, based on general purpose 1D-simulators, can be directly coupled to the emerging field of fully resolved, highly detailed 3D-modeling approaches. We present the developed general framework for 1D/3D hybrid modeling and apply it to investigate electrically active neurons and their intracellular spatio-temporal calcium dynamics. PMID:25120463

Implicit high-order discontinuous Galerkin method with HWENO type limiters for steady viscous flow simulations

NASA Astrophysics Data System (ADS)

Jiang, Zhen-Hua; Yan, Chao; Yu, Jian

2013-08-01

Two types of implicit algorithms have been improved for high order discontinuous Galerkin (DG) method to solve compressible Navier-Stokes (NS) equations on triangular grids. A block lower-upper symmetric Gauss-Seidel (BLU-SGS) approach is implemented as a nonlinear iterative scheme. And a modified LU-SGS (LLU-SGS) approach is suggested to reduce the memory requirements while retain the good convergence performance of the original LU-SGS approach. Both implicit schemes have the significant advantage that only the diagonal block matrix is stored. The resulting implicit high-order DG methods are applied, in combination with Hermite weighted essentially non-oscillatory (HWENO) limiters, to solve viscous flow problems. Numerical results demonstrate that the present implicit methods are able to achieve significant efficiency improvements over explicit counterparts and for viscous flows with shocks, and the HWENO limiters can be used to achieve the desired essentially non-oscillatory shock transition and the designed high-order accuracy simultaneously.

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.

Appearance of superconductivity at the vacancy order-disorder boundary in KxFe2 -ySe2

NASA Astrophysics Data System (ADS)

Duan, Chunruo; Yang, Junjie; Ren, Yang; Thomas, Sean M.; Louca, Despina

2018-05-01

The role of phase separation and the effect of Fe-vacancy ordering in the emergence of superconductivity in alkali metal doped iron selenides AxFe2 -ySe2 (A = K, Rb, Cs) is explored. High energy x-ray diffraction and Monte Carlo simulation were used to investigate the crystal structure of quenched superconducting (SC) and as-grown nonsuperconducting (NSC) KxFe2 -ySe2 single crystals. The coexistence of superlattice structures with the in-plane √{2 }×√{2 } K-vacancy ordering and the √{5 }×√{5 } Fe-vacancy ordering were observed in both the SC and NSC crystals alongside the I4/mmm Fe-vacancy-free phase. Moreover, in the SC crystals, an Fe-vacancy-disordered phase is additionally proposed to be present. Monte Carlo simulations suggest that it appears at the boundary between the I4/mmm vacancy-free phase and the I4/m vacancy-ordered phases (√{5 }×√{5 } ). The vacancy-disordered phase is nonmagnetic and is most likely the host of superconductivity.

New high order schemes in BATS-R-US

NASA Astrophysics Data System (ADS)

Toth, G.; van der Holst, B.; Daldorff, L.; Chen, Y.; Gombosi, T. I.

2013-12-01

The University of Michigan global magnetohydrodynamics code BATS-R-US has long relied on the block-adaptive mesh refinement (AMR) to increase accuracy in regions of interest, and we used a second order accurate TVD scheme. While AMR can in principle produce arbitrarily accurate results, there are still practical limitations due to computational resources. To further improve the accuracy of the BATS-R-US code, recently, we have implemented a 4th order accurate finite volume scheme (McCorquodale and Colella, 2011}), the 5th order accurate Monotonicity Preserving scheme (MP5, Suresh and Huynh, 1997) and the 5th order accurate CWENO5 scheme (Capdeville, 2008). In the first implementation the high order accuracy is achieved in the uniform parts of the Cartesian grids, and we still use the second order TVD scheme at resolution changes. For spherical grids the new schemes are only second order accurate so far, but still much less diffusive than the TVD scheme. We show a few verification tests that demonstrate the order of accuracy as well as challenging space physics applications. The high order schemes are less robust than the TVD scheme, and it requires some tricks and effort to make the code work. When the high order scheme works, however, we find that in most cases it can obtain similar or better results than the TVD scheme on twice finer grids. For three dimensional time dependent simulations this means that the high order scheme is almost 10 times faster requires 8 times less storage than the second order method.

Dynamic rupture scenarios from Sumatra to Iceland - High-resolution earthquake source physics on natural fault systems

NASA Astrophysics Data System (ADS)

Gabriel, A. A.; Madden, E. H.; Ulrich, T.; Wollherr, S.

2016-12-01

Capturing the observed complexity of earthquake sources in dynamic rupture simulations may require: non-linear fault friction, thermal and fluid effects, heterogeneous fault stress and strength initial conditions, fault curvature and roughness, on- and off-fault non-elastic failure. All of these factors have been independently shown to alter dynamic rupture behavior and thus possibly influence the degree of realism attainable via simulated ground motions. In this presentation we will show examples of high-resolution earthquake scenarios, e.g. based on the 2004 Sumatra-Andaman Earthquake and a potential rupture of the Husavik-Flatey fault system in Northern Iceland. The simulations combine a multitude of representations of source complexity at the necessary spatio-temporal resolution enabled by excellent scalability on modern HPC systems. Such simulations allow an analysis of the dominant factors impacting earthquake source physics and ground motions given distinct tectonic settings or distinct focuses of seismic hazard assessment. Across all simulations, we find that fault geometry concurrently with the regional background stress state provide a first order influence on source dynamics and the emanated seismic wave field. The dynamic rupture models are performed with SeisSol, a software package based on an ADER-Discontinuous Galerkin scheme for solving the spontaneous dynamic earthquake rupture problem with high-order accuracy in space and time. Use of unstructured tetrahedral meshes allows for a realistic representation of the non-planar fault geometry, subsurface structure and bathymetry. The results presented highlight the fact that modern numerical methods are essential to further our understanding of earthquake source physics and complement both physic-based ground motion research and empirical approaches in seismic hazard analysis.

Dynamic rupture scenarios from Sumatra to Iceland - High-resolution earthquake source physics on natural fault systems

NASA Astrophysics Data System (ADS)

Gabriel, Alice-Agnes; Madden, Elizabeth H.; Ulrich, Thomas; Wollherr, Stephanie

2017-04-01

Capturing the observed complexity of earthquake sources in dynamic rupture simulations may require: non-linear fault friction, thermal and fluid effects, heterogeneous fault stress and fault strength initial conditions, fault curvature and roughness, on- and off-fault non-elastic failure. All of these factors have been independently shown to alter dynamic rupture behavior and thus possibly influence the degree of realism attainable via simulated ground motions. In this presentation we will show examples of high-resolution earthquake scenarios, e.g. based on the 2004 Sumatra-Andaman Earthquake, the 1994 Northridge earthquake and a potential rupture of the Husavik-Flatey fault system in Northern Iceland. The simulations combine a multitude of representations of source complexity at the necessary spatio-temporal resolution enabled by excellent scalability on modern HPC systems. Such simulations allow an analysis of the dominant factors impacting earthquake source physics and ground motions given distinct tectonic settings or distinct focuses of seismic hazard assessment. Across all simulations, we find that fault geometry concurrently with the regional background stress state provide a first order influence on source dynamics and the emanated seismic wave field. The dynamic rupture models are performed with SeisSol, a software package based on an ADER-Discontinuous Galerkin scheme for solving the spontaneous dynamic earthquake rupture problem with high-order accuracy in space and time. Use of unstructured tetrahedral meshes allows for a realistic representation of the non-planar fault geometry, subsurface structure and bathymetry. The results presented highlight the fact that modern numerical methods are essential to further our understanding of earthquake source physics and complement both physic-based ground motion research and empirical approaches in seismic hazard analysis.

Pilot/Vehicle display development from simulation to flight

NASA Technical Reports Server (NTRS)

Dare, Alan R.; Burley, James R., II

1992-01-01

The Pilot Vehicle Interface Group, Cockpit Technology Branch, Flight Management Division, at the NASA Langley Research Center is developing display concepts for air combat in the next generation of highly maneuverable aircraft. The High-Alpha Technology Program, under which the research is being done, is involved in flight tests of many new control and display concepts on the High-Alpha Research Vehicle, a highly modified F-18 aircraft. In order to support display concept development through flight testing, a software/hardware system is being developed which will support each phase of the project with little or no software modifications, thus saving thousands of manhours in software development time. Simulation experiments are in progress now and flight tests are slated to begin in FY1994.

Numerical simulation of disperse particle flows on a graphics processing unit

NASA Astrophysics Data System (ADS)

Sierakowski, Adam J.

In both nature and technology, we commonly encounter solid particles being carried within fluid flows, from dust storms to sediment erosion and from food processing to energy generation. The motion of uncountably many particles in highly dynamic flow environments characterizes the tremendous complexity of such phenomena. While methods exist for the full-scale numerical simulation of such systems, current computational capabilities require the simplification of the numerical task with significant approximation using closure models widely recognized as insufficient. There is therefore a fundamental need for the investigation of the underlying physical processes governing these disperse particle flows. In the present work, we develop a new tool based on the Physalis method for the first-principles numerical simulation of thousands of particles (a small fraction of an entire disperse particle flow system) in order to assist in the search for new reduced-order closure models. We discuss numerous enhancements to the efficiency and stability of the Physalis method, which introduces the influence of spherical particles to a fixed-grid incompressible Navier-Stokes flow solver using a local analytic solution to the flow equations. Our first-principles investigation demands the modeling of unresolved length and time scales associated with particle collisions. We introduce a collision model alongside Physalis, incorporating lubrication effects and proposing a new nonlinearly damped Hertzian contact model. By reproducing experimental studies from the literature, we document extensive validation of the methods. We discuss the implementation of our methods for massively parallel computation using a graphics processing unit (GPU). We combine Eulerian grid-based algorithms with Lagrangian particle-based algorithms to achieve computational throughput up to 90 times faster than the legacy implementation of Physalis for a single central processing unit. By avoiding all data communication between the GPU and the host system during the simulation, we utilize with great efficacy the GPU hardware with which many high performance computing systems are currently equipped. We conclude by looking forward to the future of Physalis with multi-GPU parallelization in order to perform resolved disperse flow simulations of more than 100,000 particles and further advance the development of reduced-order closure models.

Detached Eddy Simulation of the UH-60 Rotor Wake Using Adaptive Mesh Refinement

NASA Technical Reports Server (NTRS)

Chaderjian, Neal M.; Ahmad, Jasim U.

2012-01-01

Time-dependent Navier-Stokes flow simulations have been carried out for a UH-60 rotor with simplified hub in forward flight and hover flight conditions. Flexible rotor blades and flight trim conditions are modeled and established by loosely coupling the OVERFLOW Computational Fluid Dynamics (CFD) code with the CAMRAD II helicopter comprehensive code. High order spatial differences, Adaptive Mesh Refinement (AMR), and Detached Eddy Simulation (DES) are used to obtain highly resolved vortex wakes, where the largest turbulent structures are captured. Special attention is directed towards ensuring the dual time accuracy is within the asymptotic range, and verifying the loose coupling convergence process using AMR. The AMR/DES simulation produced vortical worms for forward flight and hover conditions, similar to previous results obtained for the TRAM rotor in hover. AMR proved to be an efficient means to capture a rotor wake without a priori knowledge of the wake shape.

Edge-relevant plasma simulations with the continuum code COGENT

NASA Astrophysics Data System (ADS)

Dorf, M.; Dorr, M.; Ghosh, D.; Hittinger, J.; Rognlien, T.; Cohen, R.; Lee, W.; Schwartz, P.

2016-10-01

We describe recent advances in cross-separatrix and other edge-relevant plasma simulations with COGENT, a continuum gyro-kinetic code being developed by the Edge Simulation Laboratory (ESL) collaboration. The distinguishing feature of the COGENT code is its high-order finite-volume discretization methods, which employ arbitrary mapped multiblock grid technology (nearly field-aligned on blocks) to handle the complexity of tokamak divertor geometry with high accuracy. This paper discusses the 4D (axisymmetric) electrostatic version of the code, and the presented topics include: (a) initial simulations with kinetic electrons and development of reduced fluid models; (b) development and application of implicit-explicit (IMEX) time integration schemes; and (c) conservative modeling of drift-waves and the universal instability. Work performed for USDOE, at LLNL under contract DE-AC52-07NA27344 and at LBNL under contract DE-AC02-05CH11231.

Navier-Stokes Simulation of UH-60A Rotor/Wake Interaction Using Adaptive Mesh Refinement

NASA Technical Reports Server (NTRS)

Chaderjian, Neal M.

2017-01-01

Time-dependent Navier-Stokes simulations have been carried out for a flexible UH-60A rotor in forward flight, where the rotor wake interacts with the rotor blades. These flow conditions involved blade vortex interaction and dynamic stall, two common conditions that occur as modern helicopter designs strive to achieve greater flight speeds and payload capacity. These numerical simulations utilized high-order spatial accuracy and delayed detached eddy simulation. Emphasis was placed on understanding how improved rotor wake resolution affects the prediction of the normal force, pitching moment, and chord force of the rotor. Adaptive mesh refinement was used to highly resolve the turbulent rotor wake in a computationally efficient manner. Moreover, blade vortex interaction was found to trigger dynamic stall. Time-dependent flow visualization was utilized to provide an improved understanding of the numerical and physical mechanisms involved with three-dimensional dynamic stall.

ls1 mardyn: The Massively Parallel Molecular Dynamics Code for Large Systems.

PubMed

Niethammer, Christoph; Becker, Stefan; Bernreuther, Martin; Buchholz, Martin; Eckhardt, Wolfgang; Heinecke, Alexander; Werth, Stephan; Bungartz, Hans-Joachim; Glass, Colin W; Hasse, Hans; Vrabec, Jadran; Horsch, Martin

2014-10-14

The molecular dynamics simulation code ls1 mardyn is presented. It is a highly scalable code, optimized for massively parallel execution on supercomputing architectures and currently holds the world record for the largest molecular simulation with over four trillion particles. It enables the application of pair potentials to length and time scales that were previously out of scope for molecular dynamics simulation. With an efficient dynamic load balancing scheme, it delivers high scalability even for challenging heterogeneous configurations. Presently, multicenter rigid potential models based on Lennard-Jones sites, point charges, and higher-order polarities are supported. Due to its modular design, ls1 mardyn can be extended to new physical models, methods, and algorithms, allowing future users to tailor it to suit their respective needs. Possible applications include scenarios with complex geometries, such as fluids at interfaces, as well as nonequilibrium molecular dynamics simulation of heat and mass transfer.

Beam Loss Simulation and Collimator System Configurations for the Advanced Photon Source Upgrade

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

Xiao, A.; Borland, M.

The proposed multi-bend achromat lattice for the Advanced Photon Source upgrade (APS-U) has a design emittance of less than 70 pm. The Touschek loss rate is high: compared with the current APS ring, which has an average beam lifetime ~ 10 h, the simulated beam lifetime for APS-U is only ~2 h when operated in the high flux mode (I=200 mA in 48 bunches). An additional consequence of the short lifetime is that injection must be more frequent, which provides another potential source of particle loss. In order to provide information for the radiation shielding system evaluation and to avoidmore » particle loss in sensitive locations around the ring (for example, insertion device straight sections), simulations of the detailed beam loss distribution have been performed. Several possible collimation configurations have been simulated and compared.« less

Validation and learning in the Procedicus KSA virtual reality surgical simulator.

PubMed

Ström, P; Kjellin, A; Hedman, L; Johnson, E; Wredmark, T; Felländer-Tsai, L

2003-02-01

Advanced simulator training within medicine is a rapidly growing field. Virtual reality simulators are being introduced as cost-saving educational tools, which also lead to increased patient safety. Fifteen medical students were included in the study. For 10 medical students performance was monitored, before and after 1 h of training, in two endoscopic simulators (the Procedicus KSA with haptic feedback and anatomical graphics and the established MIST simulator without this haptic feedback and graphics). Five medical students performed 50 tests in the Procedicus KSA in order to analyze learning curves. One of these five medical students performed multiple training sessions during 2 weeks and performed more than 300 tests. There was a significant improvement after 1 h of training regarding time, movement economy, and total score. The results in the two simulators were highly correlated. Our results show that the use of surgical simulators as a pedagogical tool in medical student training is encouraging. It shows rapid learning curves and our suggestion is to introduce endoscopic simulator training in undergraduate medical education during the course in surgery when motivation is high and before the development of "negative stereotypes" and incorrect practices.

Research on simulation system with the wide range and high-precision laser energy characteristics

NASA Astrophysics Data System (ADS)

Dong, Ke-yan; Lou, Yan; He, Jing-yi; Tong, Shou-feng; Jiang, Hui-lin

2012-10-01

The Hardware-in-the-loop(HWIL) simulation test is one of the important parts for the development and performance testing of semi-active laser-guided weapons. In order to obtain accurate results, the confidence level of the target environment should be provided for a high-seeker during the HWIL simulation test of semi-active laser-guided weapons, and one of the important simulation parameters is the laser energy characteristic. In this paper, based on the semi-active laser-guided weapon guidance principles, an important parameter of simulation of confidence which affects energy characteristics in performance test of HWIL simulation was analyzed. According to the principle of receiving the same energy by using HWIL simulation and in practical application, HWIL energy characteristics simulation systems with the crystal absorption structure was designed. And on this basis, the problems of optimal design of the optical system were also analyzed. The measured results show that the dynamic attenuation range of the system energy is greater than 50dB, the dynamic attenuation stability is less than 5%, and the maximum energy changing rate driven by the servo motor is greater than 20dB/s.

Large-eddy and unsteady RANS simulations of a shock-accelerated heavy gas cylinder

DOE PAGES

Morgan, B. E.; Greenough, J. A.

2015-04-08

Two-dimensional numerical simulations of the Richtmyer–Meshkov unstable “shock-jet” problem are conducted using both large-eddy simulation (LES) and unsteady Reynolds-averaged Navier–Stokes (URANS) approaches in an arbitrary Lagrangian–Eulerian hydrodynamics code. Turbulence statistics are extracted from LES by running an ensemble of simulations with multimode perturbations to the initial conditions. Detailed grid convergence studies are conducted, and LES results are found to agree well with both experiment and high-order simulations conducted by Shankar et al. (Phys Fluids 23, 024102, 2011). URANS results using a k–L approach are found to be highly sensitive to initialization of the turbulence lengthscale L and to the timemore » at which L becomes resolved on the computational mesh. As a result, it is observed that a gradient diffusion closure for turbulent species flux is a poor approximation at early times, and a new closure based on the mass-flux velocity is proposed for low-Reynolds-number mixing.« less

Analysis and Design of High-Order Parallel Resonant Converters

NASA Astrophysics Data System (ADS)

Batarseh, Issa Eid

1990-01-01

In this thesis, a special state variable transformation technique has been derived for the analysis of high order dc-to-dc resonant converters. Converters comprised of high order resonant tanks have the advantage of utilizing the parasitic elements by making them part of the resonant tank. A new set of state variables is defined in order to make use of two-dimensional state-plane diagrams in the analysis of high order converters. Such a method has been successfully used for the analysis of the conventional Parallel Resonant Converters (PRC). Consequently, two -dimensional state-plane diagrams are used to analyze the steady state response for third and fourth order PRC's when these converters are operated in the continuous conduction mode. Based on this analysis, a set of control characteristic curves for the LCC-, LLC- and LLCC-type PRC are presented from which various converter design parameters are obtained. Various design curves for component value selections and device ratings are given. This analysis of high order resonant converters shows that the addition of the reactive components to the resonant tank results in converters with better performance characteristics when compared with the conventional second order PRC. Complete design procedure along with design examples for 2nd, 3rd and 4th order converters are presented. Practical power supply units, normally used for computer applications, were built and tested by using the LCC-, LLC- and LLCC-type commutation schemes. In addition, computer simulation results are presented for these converters in order to verify the theoretical results.

Multigrid treatment of implicit continuum diffusion

NASA Astrophysics Data System (ADS)

Francisquez, Manaure; Zhu, Ben; Rogers, Barrett

2017-10-01

Implicit treatment of diffusive terms of various differential orders common in continuum mechanics modeling, such as computational fluid dynamics, is investigated with spectral and multigrid algorithms in non-periodic 2D domains. In doubly periodic time dependent problems these terms can be efficiently and implicitly handled by spectral methods, but in non-periodic systems solved with distributed memory parallel computing and 2D domain decomposition, this efficiency is lost for large numbers of processors. We built and present here a multigrid algorithm for these types of problems which outperforms a spectral solution that employs the highly optimized FFTW library. This multigrid algorithm is not only suitable for high performance computing but may also be able to efficiently treat implicit diffusion of arbitrary order by introducing auxiliary equations of lower order. We test these solvers for fourth and sixth order diffusion with idealized harmonic test functions as well as a turbulent 2D magnetohydrodynamic simulation. It is also shown that an anisotropic operator without cross-terms can improve model accuracy and speed, and we examine the impact that the various diffusion operators have on the energy, the enstrophy, and the qualitative aspect of a simulation. This work was supported by DOE-SC-0010508. This research used resources of the National Energy Research Scientific Computing Center (NERSC).

Superconducting quantum simulator for topological order and the toric code

NASA Astrophysics Data System (ADS)

Sameti, Mahdi; Potočnik, Anton; Browne, Dan E.; Wallraff, Andreas; Hartmann, Michael J.

2017-04-01

Topological order is now being established as a central criterion for characterizing and classifying ground states of condensed matter systems and complements categorizations based on symmetries. Fractional quantum Hall systems and quantum spin liquids are receiving substantial interest because of their intriguing quantum correlations, their exotic excitations, and prospects for protecting stored quantum information against errors. Here, we show that the Hamiltonian of the central model of this class of systems, the toric code, can be directly implemented as an analog quantum simulator in lattices of superconducting circuits. The four-body interactions, which lie at its heart, are in our concept realized via superconducting quantum interference devices (SQUIDs) that are driven by a suitably oscillating flux bias. All physical qubits and coupling SQUIDs can be individually controlled with high precision. Topologically ordered states can be prepared via an adiabatic ramp of the stabilizer interactions. Strings of qubit operators, including the stabilizers and correlations along noncontractible loops, can be read out via a capacitive coupling to read-out resonators. Moreover, the available single-qubit operations allow to create and propagate elementary excitations of the toric code and to verify their fractional statistics. The architecture we propose allows to implement a large variety of many-body interactions and thus provides a versatile analog quantum simulator for topological order and lattice gauge theories.

Large eddy simulation of transitional flow in an idealized stenotic blood vessel: evaluation of subgrid scale models.

PubMed

Pal, Abhro; Anupindi, Kameswararao; Delorme, Yann; Ghaisas, Niranjan; Shetty, Dinesh A; Frankel, Steven H

2014-07-01

In the present study, we performed large eddy simulation (LES) of axisymmetric, and 75% stenosed, eccentric arterial models with steady inflow conditions at a Reynolds number of 1000. The results obtained are compared with the direct numerical simulation (DNS) data (Varghese et al., 2007, "Direct Numerical Simulation of Stenotic Flows. Part 1. Steady Flow," J. Fluid Mech., 582, pp. 253-280). An inhouse code (WenoHemo) employing high-order numerical methods for spatial and temporal terms, along with a 2nd order accurate ghost point immersed boundary method (IBM) (Mark, and Vanwachem, 2008, "Derivation and Validation of a Novel Implicit Second-Order Accurate Immersed Boundary Method," J. Comput. Phys., 227(13), pp. 6660-6680) for enforcing boundary conditions on curved geometries is used for simulations. Three subgrid scale (SGS) models, namely, the classical Smagorinsky model (Smagorinsky, 1963, "General Circulation Experiments With the Primitive Equations," Mon. Weather Rev., 91(10), pp. 99-164), recently developed Vreman model (Vreman, 2004, "An Eddy-Viscosity Subgrid-Scale Model for Turbulent Shear Flow: Algebraic Theory and Applications," Phys. Fluids, 16(10), pp. 3670-3681), and the Sigma model (Nicoud et al., 2011, "Using Singular Values to Build a Subgrid-Scale Model for Large Eddy Simulations," Phys. Fluids, 23(8), 085106) are evaluated in the present study. Evaluation of SGS models suggests that the classical constant coefficient Smagorinsky model gives best agreement with the DNS data, whereas the Vreman and Sigma models predict an early transition to turbulence in the poststenotic region. Supplementary simulations are performed using Open source field operation and manipulation (OpenFOAM) ("OpenFOAM," http://www.openfoam.org/) solver and the results are inline with those obtained with WenoHemo.

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.

Numerical simulations of vortex-induced vibrations of a flexible riser with different aspect ratiosin uniform and shear currents

NASA Astrophysics Data System (ADS)

Duanmu, Yu; Zou, Lu; Wan, De-cheng

2017-12-01

This paper aimed at describing numerical simulations of vortex-induced vibrations (VIVs) of a long flexible riser with different length-to-diameter ratio (aspect ratio) in uniform and shear currents. Three aspect ratios were simulated: L/D = 500, 750 and 1 000. The simulation was carried out by the in-house computational fluid dynamics (CFD) solver viv-FOAM-SJTU developed by the authors, which was coupled with the strip method and developed on the OpenFOAM platform. Moreover, the radial basis function (RBF) dynamic grid technique is applied to the viv-FOAM-SJTU solver to simulate the VIV in both in-line (IL) and cross-flow (CF) directions of flexible riser with high aspect ratio. The validation of the benchmark case has been completed. With the same parameters, the aspect ratio shows a significant influence on VIV of a long flexible riser. The increase of aspect ratio exerted a strong effect on the IL equilibrium position of the riser while producing little effect on the curvature of riser. With the aspect ratio rose from 500 to 1 000, the maximum IL mean displacement increased from 3 times the diameter to 8 times the diameter. On the other hand, the vibration mode of the riser would increase with the increase of aspect ratio. When the aspect ratio was 500, the CF vibration was shown as a standing wave with a 3rd order single mode. When the aspect ratio was 1 000, the modal weights of the 5th and 6th modes are high, serving as the dominant modes. The effect of the flow profile on the oscillating mode becomes more and more apparent when the aspect ratio is high, and the dominant mode of riser in shear flow is usually higher than that in uniform flow. When the aspect ratio was 750, the CF oscillations in both uniform flow and shear flow showed multi-mode vibration of the 4th and 5th mode. While, the dominant mode in uniform flow is the 4th order, and the dominant mode in shear flow is the 5th order.

A high-order staggered finite-element vertical discretization for non-hydrostatic atmospheric models

DOE PAGES

Guerra, Jorge E.; Ullrich, Paul A.

2016-06-01

Atmospheric modeling systems require economical methods to solve the non-hydrostatic Euler equations. Two major differences between hydrostatic models and a full non-hydrostatic description lies in the vertical velocity tendency and numerical stiffness associated with sound waves. In this work we introduce a new arbitrary-order vertical discretization entitled the staggered nodal finite-element method (SNFEM). Our method uses a generalized discrete derivative that consistently combines the discontinuous Galerkin and spectral element methods on a staggered grid. Our combined method leverages the accurate wave propagation and conservation properties of spectral elements with staggered methods that eliminate stationary (2Δ x) modes. Furthermore, high-order accuracymore » also eliminates the need for a reference state to maintain hydrostatic balance. In this work we demonstrate the use of high vertical order as a means of improving simulation quality at relatively coarse resolution. We choose a test case suite that spans the range of atmospheric flows from predominantly hydrostatic to nonlinear in the large-eddy regime. Lastly, our results show that there is a distinct benefit in using the high-order vertical coordinate at low resolutions with the same robust properties as the low-order alternative.« less

A high-order staggered finite-element vertical discretization for non-hydrostatic atmospheric models

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

Guerra, Jorge E.; Ullrich, Paul A.

Atmospheric modeling systems require economical methods to solve the non-hydrostatic Euler equations. Two major differences between hydrostatic models and a full non-hydrostatic description lies in the vertical velocity tendency and numerical stiffness associated with sound waves. In this work we introduce a new arbitrary-order vertical discretization entitled the staggered nodal finite-element method (SNFEM). Our method uses a generalized discrete derivative that consistently combines the discontinuous Galerkin and spectral element methods on a staggered grid. Our combined method leverages the accurate wave propagation and conservation properties of spectral elements with staggered methods that eliminate stationary (2Δ x) modes. Furthermore, high-order accuracymore » also eliminates the need for a reference state to maintain hydrostatic balance. In this work we demonstrate the use of high vertical order as a means of improving simulation quality at relatively coarse resolution. We choose a test case suite that spans the range of atmospheric flows from predominantly hydrostatic to nonlinear in the large-eddy regime. Lastly, our results show that there is a distinct benefit in using the high-order vertical coordinate at low resolutions with the same robust properties as the low-order alternative.« less

Pressure profiles of the BRing based on the simulation used in the CSRm

NASA Astrophysics Data System (ADS)

Wang, J. C.; Li, P.; Yang, J. C.; Yuan, Y. J.; Wu, B.; Chai, Z.; Luo, C.; Dong, Z. Q.; Zheng, W. H.; Zhao, H.; Ruan, S.; Wang, G.; Liu, J.; Chen, X.; Wang, K. D.; Qin, Z. M.; Yin, B.

2017-07-01

HIAF-BRing, a new multipurpose accelerator facility of the High Intensity heavy-ion Accelerator Facility project, requires an extremely high vacuum lower than 10-11 mbar to fulfill the requirements of radioactive beam physics and high energy density physics. To achieve the required process pressure, the bench-marked codes of VAKTRAK and Molflow+ are used to simulate the pressure profiles of the BRing system. In order to ensure the accuracy of the implementation of VAKTRAK, the computational results are verified by measured pressure data and compared with a new simulation code BOLIDE on the current synchrotron CSRm. Since the verification of VAKTRAK has been done, the pressure profiles of the BRing are calculated with different parameters such as conductance, out-gassing rates and pumping speeds. According to the computational results, the optimal parameters are selected to achieve the required pressure for the BRing.

Aerodynamic design and optimization of high altitude environment simulation system based on CFD

NASA Astrophysics Data System (ADS)

Ma, Pingchang; Yan, Lutao; Li, Hong

2017-05-01

High altitude environment simulation system (HAES) is built to provide a true flight environment for subsonic vehicles, with low density, high speed, and short time characteristics. Normally, wind tunnel experiments are based on similar principal, such as parameters of Re or Ma, in order to shorten test product size. However, the test products in HAES are trim size, so more attention is put on the true flight environment simulation. It includes real flight environment pressure, destiny and real flight velocity, and its type velocity is Ma=0.8. In this paper, the aerodynamic design of HAES is introduced and its rationality is explained according to CFD calculation based on Fluent. Besides, the initial pressure of vacuum tank in HAES is optimized, which is not only to meet the economic requirements, but also to decrease the effect of additional stress on the test product in the process of the establishment of the target flow field.

METCAN simulation of candidate metal matrix composites for high temperature applications

NASA Technical Reports Server (NTRS)

Lee, Ho-Jun

1990-01-01

The METCAN (Metal Matrix Composite Analyzer) computer code is used to simulate the nonlinear behavior of select metal matrix composites in order to assess their potential for high temperature structural applications. Material properties for seven composites are generated at a fiber volume ratio of 0.33 for two bonding conditions (a perfect bond and a weak interphase case) at various temperatures. A comparison of the two bonding conditions studied shows a general reduction in value of all properties (except CTE) for the weak interphase case from the perfect bond case. However, in the weak interphase case, the residual stresses that develop are considerably less than those that form in the perfect bond case. Results of the computational simulation indicate that among the metal matrix composites examined, SiC/NiAl is the best candidate for high temperature applications at the given fiber volume ratio.

Load management strategy for Particle-In-Cell simulations in high energy particle acceleration

NASA Astrophysics Data System (ADS)

Beck, A.; Frederiksen, J. T.; Dérouillat, J.

2016-09-01

In the wake of the intense effort made for the experimental CILEX project, numerical simulation campaigns have been carried out in order to finalize the design of the facility and to identify optimal laser and plasma parameters. These simulations bring, of course, important insight into the fundamental physics at play. As a by-product, they also characterize the quality of our theoretical and numerical models. In this paper, we compare the results given by different codes and point out algorithmic limitations both in terms of physical accuracy and computational performances. These limitations are illustrated in the context of electron laser wakefield acceleration (LWFA). The main limitation we identify in state-of-the-art Particle-In-Cell (PIC) codes is computational load imbalance. We propose an innovative algorithm to deal with this specific issue as well as milestones towards a modern, accurate high-performance PIC code for high energy particle acceleration.

Molecular dynamics simulation of fast particle irradiation on the single crystal CeO2

NASA Astrophysics Data System (ADS)

Sasajima, Y.; Ajima, N.; Osada, T.; Ishikawa, N.; Iwase, A.

2013-11-01

We used a molecular dynamics method to simulate structural relaxation caused by the high-energy-ion irradiation of single crystal CeO2. As the initial condition, we assumed high thermal energy was supplied to the individual atoms within a cylindrical region of nanometer-order diameter located in the center of the single crystal. The potential proposed by Inaba et al. was utilized to calculate interactions between atoms [H. Inaba, R. Sagawa, H. Hayashi, K. Kawamura, Solid State Ionics 122 (1999) 95-103]. The supplied thermal energy was first spent to change the crystal structure into an amorphous one within a short period of about 0.3 ps, then it was dissipated in the crystal. We compared the obtained results with those of computer simulations for UO2 and found that CeO2 was more stable than UO2 when supplied with high thermal energy.

The effect of manipulating context-specific information on perceptual-cognitive processes during a simulated anticipation task.

PubMed

McRobert, Allistair P; Ward, Paul; Eccles, David W; Williams, A Mark

2011-08-01

We manipulated contextual information in order to examine the perceptual-cognitive processes that support anticipation using a simulated cricket-batting task. Skilled (N= 10) and less skilled (N= 10) cricket batters responded to video simulations of opponents bowling a cricket ball under high and low contextual information conditions. Skilled batters were more accurate, demonstrated more effective search behaviours, and provided more detailed verbal reports of thinking. Moreover, when they viewed their opponent multiple times (high context), they reduced their mean fixation time. All batters improved performance and altered thought processes when in the high context, compared to when they responded to their opponent without previously seeing them bowl (low context). Findings illustrate how context influences performance and the search for relevant information when engaging in a dynamic, time-constrained task. ©2011 The British Psychological Society.

Examining a Thermodynamic Order Parameter of Protein Folding.

PubMed

Chong, Song-Ho; Ham, Sihyun

2018-05-08

Dimensionality reduction with a suitable choice of order parameters or reaction coordinates is commonly used for analyzing high-dimensional time-series data generated by atomistic biomolecular simulations. So far, geometric order parameters, such as the root mean square deviation, fraction of native amino acid contacts, and collective coordinates that best characterize rare or large conformational transitions, have been prevailing in protein folding studies. Here, we show that the solvent-averaged effective energy, which is a thermodynamic quantity but unambiguously defined for individual protein conformations, serves as a good order parameter of protein folding. This is illustrated through the application to the folding-unfolding simulation trajectory of villin headpiece subdomain. We rationalize the suitability of the effective energy as an order parameter by the funneledness of the underlying protein free energy landscape. We also demonstrate that an improved conformational space discretization is achieved by incorporating the effective energy. The most distinctive feature of this thermodynamic order parameter is that it works in pointing to near-native folded structures even when the knowledge of the native structure is lacking, and the use of the effective energy will also find applications in combination with methods of protein structure prediction.

Virtual microphone sensing through vibro-acoustic modelling and Kalman filtering

NASA Astrophysics Data System (ADS)

van de Walle, A.; Naets, F.; Desmet, W.

2018-05-01

This work proposes a virtual microphone methodology which enables full field acoustic measurements for vibro-acoustic systems. The methodology employs a Kalman filtering framework in order to combine a reduced high-fidelity vibro-acoustic model with a structural excitation measurement and small set of real microphone measurements on the system under investigation. By employing model order reduction techniques, a high order finite element model can be converted in a much smaller model which preserves the desired accuracy and maintains the main physical properties of the original model. Due to the low order of the reduced-order model, it can be effectively employed in a Kalman filter. The proposed methodology is validated experimentally on a strongly coupled vibro-acoustic system. The virtual sensor vastly improves the accuracy with respect to regular forward simulation. The virtual sensor also allows to recreate the full sound field of the system, which is very difficult/impossible to do through classical measurements.

Studies on thermal decomposition behaviors of polypropylene using molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Huang, Jinbao; He, Chao; Tong, Hong; Pan, Guiying

2017-11-01

Polypropylene (PP) is one of the main components of waste plastics. In order to understand the mechanism of PP thermal decomposition, the pyrolysis behaviour of PP has been simulated from 300 to 1000 K in periodic boundary conditions by molecular dynamic method, based on AMBER force field. The simulation results show that the pyrolysis process of PP can mostly be divided into three stages: low temperature pyrolysis stage, intermediate temperature stage and high temperature pyrolysis stage. PP pyrolysis is typical of random main-chain scission, and the possible formation mechanism of major pyrolysis products was analyzed.

Flight test techniques for validating simulated nuclear electromagnetic pulse aircraft responses

NASA Technical Reports Server (NTRS)

Winebarger, R. M.; Neely, W. R., Jr.

1984-01-01

An attempt has been made to determine the effects of nuclear EM pulses (NEMPs) on aircraft systems, using a highly instrumented NASA F-106B to document the simulated NEMP environment at the Kirtland Air Force Base's Vertically Polarized Dipole test facility. Several test positions were selected so that aircraft orientation relative to the test facility would be the same in flight as when on the stationary dielectric stand, in order to validate the dielectric stand's use in flight configuration simulations. Attention is given to the flight test portions of the documentation program.

Monte Carlo simulation of the back-diffusion of electrons in nitrogen

NASA Astrophysics Data System (ADS)

Radmilović-Radjenović, M.; Nina, A.; Nikitović, Ž.

2009-01-01

In this paper, the process of back-diffusion in nitrogen is studied by means of Monte Carlo simulations. In particular we analyze the influence of different aspects of back-diffusion in order to simplify the models of plasma displays, low pressure gas breakdown and detectors of high energy particles. The obtained simulation results show that the escape coefficient depends strongly on the reflection coefficient and the initial energy of electrons. It was also found that the back-diffusion range and number of collisions before returning to the cathode in nitrogen are smaller than those in argon for similar conditions.

Explicit high-order non-canonical symplectic particle-in-cell algorithms for Vlasov-Maxwell systems

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

Xiao, Jianyuan; Qin, Hong; Liu, Jian

2015-11-01

Explicit high-order non-canonical symplectic particle-in-cell algorithms for classical particle-field systems governed by the Vlasov-Maxwell equations are developed. The algorithms conserve a discrete non-canonical symplectic structure derived from the Lagrangian of the particle-field system, which is naturally discrete in particles. The electromagnetic field is spatially discretized using the method of discrete exterior calculus with high-order interpolating differential forms for a cubic grid. The resulting time-domain Lagrangian assumes a non-canonical symplectic structure. It is also gauge invariant and conserves charge. The system is then solved using a structure-preserving splitting method discovered by He et al. [preprint arXiv: 1505.06076 (2015)], which produces fivemore » exactly soluble sub-systems, and high-order structure-preserving algorithms follow by combinations. The explicit, high-order, and conservative nature of the algorithms is especially suitable for long-term simulations of particle-field systems with extremely large number of degrees of freedom on massively parallel supercomputers. The algorithms have been tested and verified by the two physics problems, i.e., the nonlinear Landau damping and the electron Bernstein wave. (C) 2015 AIP Publishing LLC.« less

A second-order theory for transverse ion heating and momentum coupling due to electrostatic ion cyclotron waves

NASA Technical Reports Server (NTRS)

Miller, Ronald H.; Winske, Dan; Gary, S. P.

1992-01-01

A second-order theory for electrostatic instabilities driven by counterstreaming ion beams is developed which describes momentum coupling and heating of the plasma via wave-particle interactions. Exchange rates between the waves and particles are derived, which are suitable for the fluid equations simulating microscopic effects on macroscopic scales. Using a fully kinetic simulation, the electrostatic ion cyclotron instability due to counterstreaming H(+) beams has been simulated. A power spectrum from the kinetic simulation is used to evaluate second-order exchange rates. The calculated heating and momentum loss from second-order theory is compared to the numerical simulation.

HEP Software Foundation Community White Paper Working Group - Detector Simulation

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

Apostolakis, J.

A working group on detector simulation was formed as part of the high-energy physics (HEP) Software Foundation's initiative to prepare a Community White Paper that describes the main software challenges and opportunities to be faced in the HEP field over the next decade. The working group met over a period of several months in order to review the current status of the Full and Fast simulation applications of HEP experiments and the improvements that will need to be made in order to meet the goals of future HEP experimental programmes. The scope of the topics covered includes the main componentsmore » of a HEP simulation application, such as MC truth handling, geometry modeling, particle propagation in materials and fields, physics modeling of the interactions of particles with matter, the treatment of pileup and other backgrounds, as well as signal processing and digitisation. The resulting work programme described in this document focuses on the need to improve both the software performance and the physics of detector simulation. The goals are to increase the accuracy of the physics models and expand their applicability to future physics programmes, while achieving large factors in computing performance gains consistent with projections on available computing resources.« less

A parallelization method for time periodic steady state in simulation of radio frequency sheath dynamics

NASA Astrophysics Data System (ADS)

Kwon, Deuk-Chul; Shin, Sung-Sik; Yu, Dong-Hun

2017-10-01

In order to reduce the computing time in simulation of radio frequency (rf) plasma sources, various numerical schemes were developed. It is well known that the upwind, exponential, and power-law schemes can efficiently overcome the limitation on the grid size for fluid transport simulations of high density plasma discharges. Also, the semi-implicit method is a well-known numerical scheme to overcome on the simulation time step. However, despite remarkable advances in numerical techniques and computing power over the last few decades, efficient multi-dimensional modeling of low temperature plasma discharges has remained a considerable challenge. In particular, there was a difficulty on parallelization in time for the time periodic steady state problems such as capacitively coupled plasma discharges and rf sheath dynamics because values of plasma parameters in previous time step are used to calculate new values each time step. Therefore, we present a parallelization method for the time periodic steady state problems by using period-slices. In order to evaluate the efficiency of the developed method, one-dimensional fluid simulations are conducted for describing rf sheath dynamics. The result shows that speedup can be achieved by using a multithreading method.

Synthetic Survey of the Kepler Field

NASA Astrophysics Data System (ADS)

Wells, Mark; Prša, Andrej

2018-01-01

In the era of large scale surveys, including LSST and Gaia, binary population studies will flourish due to the large influx of data. In addition to probing binary populations as a function of galactic latitude, under-sampled groups such as low mass binaries will be observed at an unprecedented rate. To prepare for these missions, binary population simulations need to be carried out at high fidelity. These simulations will enable the creation of simulated data and, through comparison with real data, will allow the underlying binary parameter distributions to be explored. In order for the simulations to be considered robust, they should reproduce observed distributions accurately. To this end we have developed a simulator which takes input models and creates a synthetic population of eclipsing binaries. Starting from a galactic single star model, implemented using Galaxia, a code by Sharma et al. (2011), and applying observed multiplicity, mass-ratio, period, and eccentricity distributions, as reported by Raghavan et al. (2010), Duchêne & Kraus (2013), and Moe & Di Stefano (2017), we are able to generate synthetic binary surveys that correspond to any survey cadences. In order to calibrate our input models we compare the results of our synthesized eclipsing binary survey to the Kepler Eclipsing Binary catalog.

MCore: A High-Order Finite-Volume Dynamical Core for Atmospheric General Circulation Models

NASA Astrophysics Data System (ADS)

Ullrich, P.; Jablonowski, C.

2011-12-01

The desire for increasingly accurate predictions of the atmosphere has driven numerical models to smaller and smaller resolutions, while simultaneously exponentially driving up the cost of existing numerical models. Even with the modern rapid advancement of computational performance, it is estimated that it will take more than twenty years before existing models approach the scales needed to resolve atmospheric convection. However, smarter numerical methods may allow us to glimpse the types of results we would expect from these fine-scale simulations while only requiring a fraction of the computational cost. The next generation of atmospheric models will likely need to rely on both high-order accuracy and adaptive mesh refinement in order to properly capture features of interest. We present our ongoing research on developing a set of ``smart'' numerical methods for simulating the global non-hydrostatic fluid equations which govern atmospheric motions. We have harnessed a high-order finite-volume based approach in developing an atmospheric dynamical core on the cubed-sphere. This type of method is desirable for applications involving adaptive grids, since it has been shown that spuriously reflected wave modes are intrinsically damped out under this approach. The model further makes use of an implicit-explicit Runge-Kutta-Rosenbrock (IMEX-RKR) time integrator for accurate and efficient coupling of the horizontal and vertical model components. We survey the algorithmic development of the model and present results from idealized dynamical core test cases, as well as give a glimpse at future work with our model.

A multi-scale experimental and simulation approach for fractured subsurface systems

NASA Astrophysics Data System (ADS)

Viswanathan, H. S.; Carey, J. W.; Frash, L.; Karra, S.; Hyman, J.; Kang, Q.; Rougier, E.; Srinivasan, G.

2017-12-01

Fractured systems play an important role in numerous subsurface applications including hydraulic fracturing, carbon sequestration, geothermal energy and underground nuclear test detection. Fractures that range in scale from microns to meters and their structure control the behavior of these systems which provide over 85% of our energy and 50% of US drinking water. Determining the key mechanisms in subsurface fractured systems has been impeded due to the lack of sophisticated experimental methods to measure fracture aperture and connectivity, multiphase permeability, and chemical exchange capacities at the high temperature, pressure, and stresses present in the subsurface. In this study, we developed and use microfluidic and triaxial core flood experiments required to reveal the fundamental dynamics of fracture-fluid interactions. In addition we have developed high fidelity fracture propagation and discrete fracture network flow models to simulate these fractured systems. We also have developed reduced order models of these fracture simulators in order to conduct uncertainty quantification for these systems. We demonstrate an integrated experimental/modeling approach that allows for a comprehensive characterization of fractured systems and develop models that can be used to optimize the reservoir operating conditions over a range of subsurface conditions.

Background simulations for the wide field imager aboard the ATHENA X-ray Observatory

NASA Astrophysics Data System (ADS)

Hauf, Steffen; Kuster, Markus; Hoffmann, Dieter H. H.; Lang, Philipp-Michael; Neff, Stephan; Pia, Maria Grazia; Strüder, Lothar

2012-09-01

The ATHENA X-ray observatory was a European Space Agency project for a L-class mission. ATHENA was to be based upon a simplified IXO design with the number of instruments and the focal length of the Wolter optics being reduced. One of the two instruments, the Wide Field Imager (WFI) was to be a DePFET based focal plane pixel detector, allowing for high time and spatial resolution spectroscopy in the energy-range between 0.1 and 15 keV. In order to fulfill the mission goals a high sensitivity is essential, especially to study faint and extended sources. Thus a detailed understanding of the detector background induced by cosmic ray particles is crucial. During the mission design generally extensive Monte-Carlo simulations are used to estimate the detector background in order to optimize shielding components and software rejection algorithms. The Geant4 toolkit1,2 is frequently the tool of choice for this purpose. Alongside validation of the simulation environment with XMM-Newton EPIC-pn and Space Shuttle STS-53 data we present estimates for the ATHENA WFI cosmic ray induced background including long-term activation, which demonstrate that DEPFET-technology based detectors are able to achieve the required sensitivity.

A joint equalization algorithm in high speed communication systems

NASA Astrophysics Data System (ADS)

Hao, Xin; Lin, Changxing; Wang, Zhaohui; Cheng, Binbin; Deng, Xianjin

2018-02-01

This paper presents a joint equalization algorithm in high speed communication systems. This algorithm takes the advantages of traditional equalization algorithms to use pre-equalization and post-equalization. The pre-equalization algorithm takes the advantage of CMA algorithm, which is not sensitive to the frequency offset. Pre-equalization is located before the carrier recovery loop in order to make the carrier recovery loop a better performance and overcome most of the frequency offset. The post-equalization takes the advantage of MMA algorithm in order to overcome the residual frequency offset. This paper analyzes the advantages and disadvantages of several equalization algorithms in the first place, and then simulates the proposed joint equalization algorithm in Matlab platform. The simulation results shows the constellation diagrams and the bit error rate curve, both these results show that the proposed joint equalization algorithm is better than the traditional algorithms. The residual frequency offset is shown directly in the constellation diagrams. When SNR is 14dB， the bit error rate of the simulated system with the proposed joint equalization algorithm is 103 times better than CMA algorithm, 77 times better than MMA equalization, and 9 times better than CMA-MMA equalization.

Improving surface-subsurface water budgeting using high resolution satellite imagery applied on a brownfield.

PubMed

Dujardin, J; Batelaan, O; Canters, F; Boel, S; Anibas, C; Bronders, J

2011-01-15

The estimation of surface-subsurface water interactions is complex and highly variable in space and time. It is even more complex when it has to be estimated in urban areas, because of the complex patterns of the land-cover in these areas. In this research a modeling approach with integrated remote sensing analysis has been developed for estimating water fluxes in urban environments. The methodology was developed with the aim to simulate fluxes of contaminants from polluted sites. Groundwater pollution in urban environments is linked to patterns of land use and hence it is essential to characterize the land cover in a detail. An object-oriented classification approach applied on high-resolution satellite data has been adopted. To assign the image objects to one of the land-cover classes a multiple layer perceptron approach was adopted (Kappa of 0.86). Groundwater recharge has been simulated using the spatially distributed WetSpass model and the subsurface water flow using MODFLOW in order to identify and budget water fluxes. The developed methodology is applied to a brownfield case site in Vilvoorde, Brussels (Belgium). The obtained land use map has a strong impact on the groundwater recharge, resulting in a high spatial variability. Simulated groundwater fluxes from brownfield to the receiving River Zenne were independently verified by measurements and simulation of groundwater-surface water interaction based on thermal gradients in the river bed. It is concluded that in order to better quantify total fluxes of contaminants from brownfields in the groundwater, remote sensing imagery can be operationally integrated in a modeling procedure. Copyright © 2010 Elsevier B.V. All rights reserved.

Hierarchical coarse-graining strategy for protein-membrane systems to access mesoscopic scales

PubMed Central

Ayton, Gary S.; Lyman, Edward

2014-01-01

An overall multiscale simulation strategy for large scale coarse-grain simulations of membrane protein systems is presented. The protein is modeled as a heterogeneous elastic network, while the lipids are modeled using the hybrid analytic-systematic (HAS) methodology, where in both cases atomistic level information obtained from molecular dynamics simulation is used to parameterize the model. A feature of this approach is that from the outset liposome length scales are employed in the simulation (i.e., on the order of ½ a million lipids plus protein). A route to develop highly coarse-grained models from molecular-scale information is proposed and results for N-BAR domain protein remodeling of a liposome are presented. PMID:20158037

Combining Simulation Tools for End-to-End Trajectory Optimization

NASA Technical Reports Server (NTRS)

Whitley, Ryan; Gutkowski, Jeffrey; Craig, Scott; Dawn, Tim; Williams, Jacobs; Stein, William B.; Litton, Daniel; Lugo, Rafael; Qu, Min

2015-01-01

Trajectory simulations with advanced optimization algorithms are invaluable tools in the process of designing spacecraft. Due to the need for complex models, simulations are often highly tailored to the needs of the particular program or mission. NASA's Orion and SLS programs are no exception. While independent analyses are valuable to assess individual spacecraft capabilities, a complete end-to-end trajectory from launch to splashdown maximizes potential performance and ensures a continuous solution. In order to obtain end-to-end capability, Orion's in-space tool (Copernicus) was made to interface directly with the SLS's ascent tool (POST2) and a new tool to optimize the full problem by operating both simulations simultaneously was born.

The QuakeSim Project: Numerical Simulations for Active Tectonic Processes

NASA Technical Reports Server (NTRS)

Donnellan, Andrea; Parker, Jay; Lyzenga, Greg; Granat, Robert; Fox, Geoffrey; Pierce, Marlon; Rundle, John; McLeod, Dennis; Grant, Lisa; Tullis, Terry

2004-01-01

In order to develop a solid earth science framework for understanding and studying of active tectonic and earthquake processes, this task develops simulation and analysis tools to study the physics of earthquakes using state-of-the art modeling, data manipulation, and pattern recognition technologies. We develop clearly defined accessible data formats and code protocols as inputs to the simulations. these are adapted to high-performance computers because the solid earth system is extremely complex and nonlinear resulting in computationally intensive problems with millions of unknowns. With these tools it will be possible to construct the more complex models and simulations necessary to develop hazard assessment systems critical for reducing future losses from major earthquakes.

Runway Incursion Prevention System Simulation Evaluation

NASA Technical Reports Server (NTRS)

Jones, Denise R.

2002-01-01

A Runway Incursion Prevention System (RIPS) was evaluated in a full mission simulation study at the NASA Langley Research center in March 2002. RIPS integrates airborne and ground-based technologies to provide (1) enhanced surface situational awareness to avoid blunders and (2) alerts of runway conflicts in order to prevent runway incidents while also improving operational capability. A series of test runs was conducted in a high fidelity simulator. The purpose of the study was to evaluate the RIPS airborne incursion detection algorithms and associated alerting and airport surface display concepts. Eight commercial airline crews participated as test subjects completing 467 test runs. This paper gives an overview of the RIPS, simulation study, and test results.

Dual-scale phase-field simulation of Mg-Al alloy solidification

NASA Astrophysics Data System (ADS)

Monas, A.; Shchyglo, O.; Höche, D.; Tegeler, M.; Steinbach, I.

2015-06-01

Phase-field simulations of the nucleation and growth of primary α-Mg phase as well as secondary, β-phase of a Mg-Al alloy are presented. The nucleation model for α- and β-Mg phases is based on the “free growth model” by Greer et al.. After the α-Mg phase solidification we study a divorced eutectic growth of α- and β-Mg phases in a zoomed in melt channel between α-phase dendrites. The simulated cooling curves and final microstructures of α-grains are compared with experiments. In order to further enhance the resolution of the interdendritic region a high-performance computing approach has been used allowing significant simulation speed gain when using supercomputing facilities.

Reduced Order Models for Reactions of Energetic Materials

NASA Astrophysics Data System (ADS)

Kober, Edward

The formulation of reduced order models for the reaction chemistry of energetic materials under high pressures is needed for the development of mesoscale models in the areas of initiation, deflagration and detonation. Phenomenologically, 4-8 step models have been formulated from the analysis of cook-off data by analyzing the temperature rise of heated samples. Reactive molecular dynamics simulations have been used to simulate many of these processes, but reducing the results of those simulations to simple models has not been achieved. Typically, these efforts have focused on identifying molecular species and detailing specific chemical reactions. An alternative approach is presented here that is based on identifying the coordination geometries of each atom in the simulation and tracking classes of reactions by correlated changes in these geometries. Here, every atom and type of reaction is documented for every time step; no information is lost from unsuccessful molecular identification. Principal Component Analysis methods can then be used to map out the effective chemical reaction steps. For HMX and TATB decompositions simulated with ReaxFF, 90% of the data can be explained by 4-6 steps, generating models similar to those from the cook-off analysis. By performing these simulations at a variety of temperatures and pressures, both the activation and reaction energies and volumes can then be extracted.

Data-driven RANS for simulations of large wind farms

NASA Astrophysics Data System (ADS)

Iungo, G. V.; Viola, F.; Ciri, U.; Rotea, M. A.; Leonardi, S.

2015-06-01

In the wind energy industry there is a growing need for real-time predictions of wind turbine wake flows in order to optimize power plant control and inhibit detrimental wake interactions. To this aim, a data-driven RANS approach is proposed in order to achieve very low computational costs and adequate accuracy through the data assimilation procedure. The RANS simulations are implemented with a classical Boussinesq hypothesis and a mixing length turbulence closure model, which is calibrated through the available data. High-fidelity LES simulations of a utility-scale wind turbine operating with different tip speed ratios are used as database. It is shown that the mixing length model for the RANS simulations can be calibrated accurately through the Reynolds stress of the axial and radial velocity components, and the gradient of the axial velocity in the radial direction. It is found that the mixing length is roughly invariant in the very near wake, then it increases linearly with the downstream distance in the diffusive region. The variation rate of the mixing length in the downstream direction is proposed as a criterion to detect the transition between near wake and transition region of a wind turbine wake. Finally, RANS simulations were performed with the calibrated mixing length model, and a good agreement with the LES simulations is observed.

Simulation of Shallow Water Jets with a Unified Element-based Continuous/Discontinuous Galerkin Model with Grid Flexibility on the Sphere

DTIC Science & Technology

2013-01-01

is the derivative of the N th-order Legendre polynomial . Given these definitions, the one-dimensional Lagrange polynomials hi(ξ) are hi(ξ) = − 1 N(N...2. Detail of one interface patch in the northern hemisphere. The high-order Legendre -Gauss-Lobatto (LGL) points are added to the linear grid by...smaller ones by a Lagrange polynomial of order nI . The number of quadrilateral elements and grid points of the final grid are then given by Np = 6(N

Physical analysis and second-order modelling of an unsteady turbulent flow - The oscillating boundary layer on a flat plate

NASA Technical Reports Server (NTRS)

Ha Minh, H.; Viegas, J. R.; Rubesin, M. W.; Spalart, P.; Vandromme, D. D.

1989-01-01

The turbulent boundary layer under a freestream whose velocity varies sinusoidally in time around a zero mean is computed using two second order turbulence closure models. The time or phase dependent behavior of the Reynolds stresses are analyzed and results are compared to those of a previous SPALART-BALDWIN direct simulation. Comparisons show that the second order modeling is quite satisfactory for almost all phase angles, except in the relaminarization period where the computations lead to a relatively high wall shear stress.

Crack propagation of brittle rock under high geostress

NASA Astrophysics Data System (ADS)

Liu, Ning; Chu, Weijiang; Chen, Pingzhi

2018-03-01

Based on fracture mechanics and numerical methods, the characteristics and failure criterions of wall rock cracks including initiation, propagation, and coalescence are analyzed systematically under different conditions. In order to consider the interaction among cracks, adopt the sliding model of multi-cracks to simulate the splitting failure of rock in axial compress. The reinforcement of bolts and shotcrete supporting to rock mass can control the cracks propagation well. Adopt both theory analysis and simulation method to study the mechanism of controlling the propagation. The best fixed angle of bolts is calculated. Then use ansys to simulate the crack arrest function of bolt to crack. Analyze the influence of different factors on stress intensity factor. The method offer more scientific and rational criterion to evaluate the splitting failure of underground engineering under high geostress.