Extension, validation and application of the NASCAP code

NASA Technical Reports Server (NTRS)

Katz, I.; Cassidy, J. J., III; Mandell, M. J.; Schnuelle, G. W.; Steen, P. G.; Parks, D. E.; Rotenberg, M.; Alexander, J. H.

1979-01-01

Numerous extensions were made in the NASCAP code. They fall into three categories: a greater range of definable objects, a more sophisticated computational model, and simplified code structure and usage. An important validation of NASCAP was performed using a new two dimensional computer code (TWOD). An interactive code (MATCHG) was written to compare material parameter inputs with charging results. The first major application of NASCAP was performed on the SCATHA satellite. Shadowing and charging calculation were completed. NASCAP was installed at the Air Force Geophysics Laboratory, where researchers plan to use it to interpret SCATHA data.

A Numerical Study on Microwave Coagulation Therapy

DTIC Science & Technology

2013-01-01

hepatocellular carcinoma (small size liver tumor). Through extensive numerical simulations, we reveal the mathematical relationships between some critical parameters in the therapy, including input power, frequency, temperature, and regions of impact. It is shown that these relationships can be approximated using simple polynomial functions. Compared to solutions of partial differential equations, these functions are significantly easier to compute and simpler to analyze for engineering design and clinical

Numerical solution of the Navier-Stokes equations by discontinuous Galerkin method

NASA Astrophysics Data System (ADS)

Krasnov, M. M.; Kuchugov, P. A.; E Ladonkina, M.; E Lutsky, A.; Tishkin, V. F.

2017-02-01

Detailed unstructured grids and numerical methods of high accuracy are frequently used in the numerical simulation of gasdynamic flows in areas with complex geometry. Galerkin method with discontinuous basis functions or Discontinuous Galerkin Method (DGM) works well in dealing with such problems. This approach offers a number of advantages inherent to both finite-element and finite-difference approximations. Moreover, the present paper shows that DGM schemes can be viewed as Godunov method extension to piecewise-polynomial functions. As is known, DGM involves significant computational complexity, and this brings up the question of ensuring the most effective use of all the computational capacity available. In order to speed up the calculations, operator programming method has been applied while creating the computational module. This approach makes possible compact encoding of mathematical formulas and facilitates the porting of programs to parallel architectures, such as NVidia CUDA and Intel Xeon Phi. With the software package, based on DGM, numerical simulations of supersonic flow past solid bodies has been carried out. The numerical results are in good agreement with the experimental ones.

Minimizing Dispersion in FDTD Methods with CFL Limit Extension

NASA Astrophysics Data System (ADS)

Sun, Chen

The CFL extension in FDTD methods is receiving considerable attention in order to reduce the computational effort and save the simulation time. One of the major issues in the CFL extension methods is the increased dispersion. We formulate a decomposition of FDTD equations to study the behaviour of the dispersion. A compensation scheme to reduce the dispersion in CFL extension is constructed and proposed. We further study the CFL extension in a FDTD subgridding case, where we improve the accuracy by acting only on the FDTD equations of the fine grid. Numerical results confirm the efficiency of the proposed method for minimising dispersion.

SELECTION AND CALIBRATION OF SUBSURFACE REACTIVE TRANSPORT MODELS USING A SURROGATE-MODEL APPROACH

EPA Science Inventory

While standard techniques for uncertainty analysis have been successfully applied to groundwater flow models, extension to reactive transport is frustrated by numerous difficulties, including excessive computational burden and parameter non-uniqueness. This research introduces a...

Extension of transonic flow computational concepts in the analysis of cavitated bearings

NASA Technical Reports Server (NTRS)

Vijayaraghavan, D.; Keith, T. G., Jr.; Brewe, D. E.

1990-01-01

An analogy between the mathematical modeling of transonic potential flow and the flow in a cavitating bearing is described. Based on the similarities, characteristics of the cavitated region and jump conditions across the film reformation and rupture fronts are developed using the method of weak solutions. The mathematical analogy is extended by utilizing a few computational concepts of transonic flow to numerically model the cavitating bearing. Methods of shock fitting and shock capturing are discussed. Various procedures used in transonic flow computations are adapted to bearing cavitation applications, for example, type differencing, grid transformation, an approximate factorization technique, and Newton's iteration method. These concepts have proved to be successful and have vastly improved the efficiency of numerical modeling of cavitated bearings.

Modeling of Electromagnetic Scattering by Discrete and Discretely Heterogeneous Random Media by Using Numerically Exact Solutions of the Maxwell Equations

NASA Technical Reports Server (NTRS)

Dlugach, Janna M.; Mishchenko, Michael I.

2017-01-01

In this paper, we discuss some aspects of numerical modeling of electromagnetic scattering by discrete random medium by using numerically exact solutions of the macroscopic Maxwell equations. Typical examples of such media are clouds of interstellar dust, clouds of interplanetary dust in the Solar system, dusty atmospheres of comets, particulate planetary rings, clouds in planetary atmospheres, aerosol particles with numerous inclusions and so on. Our study is based on the results of extensive computations of different characteristics of electromagnetic scattering obtained by using the superposition T-matrix method which represents a direct computer solver of the macroscopic Maxwell equations for an arbitrary multisphere configuration. As a result, in particular, we clarify the range of applicability of the low-density theories of radiative transfer and coherent backscattering as well as of widely used effective-medium approximations.

Robust computation of dipole electromagnetic fields in arbitrarily anisotropic, planar-stratified environments.

PubMed

Sainath, Kamalesh; Teixeira, Fernando L; Donderici, Burkay

2014-01-01

We develop a general-purpose formulation, based on two-dimensional spectral integrals, for computing electromagnetic fields produced by arbitrarily oriented dipoles in planar-stratified environments, where each layer may exhibit arbitrary and independent anisotropy in both its (complex) permittivity and permeability tensors. Among the salient features of our formulation are (i) computation of eigenmodes (characteristic plane waves) supported in arbitrarily anisotropic media in a numerically robust fashion, (ii) implementation of an hp-adaptive refinement for the numerical integration to evaluate the radiation and weakly evanescent spectra contributions, and (iii) development of an adaptive extension of an integral convergence acceleration technique to compute the strongly evanescent spectrum contribution. While other semianalytic techniques exist to solve this problem, none have full applicability to media exhibiting arbitrary double anisotropies in each layer, where one must account for the whole range of possible phenomena (e.g., mode coupling at interfaces and nonreciprocal mode propagation). Brute-force numerical methods can tackle this problem but only at a much higher computational cost. The present formulation provides an efficient and robust technique for field computation in arbitrary planar-stratified environments. We demonstrate the formulation for a number of problems related to geophysical exploration.

A numerical scheme for singularly perturbed reaction-diffusion problems with a negative shift via numerov method

NASA Astrophysics Data System (ADS)

Dinesh Kumar, S.; Nageshwar Rao, R.; Pramod Chakravarthy, P.

2017-11-01

In this paper, we consider a boundary value problem for a singularly perturbed delay differential equation of reaction-diffusion type. We construct an exponentially fitted numerical method using Numerov finite difference scheme, which resolves not only the boundary layers but also the interior layers arising from the delay term. An extensive amount of computational work has been carried out to demonstrate the applicability of the proposed method.

Stream Lifetimes Against Planetary Encounters

NASA Technical Reports Server (NTRS)

Valsecchi, G. B.; Lega, E.; Froeschle, Cl.

2011-01-01

We study, both analytically and numerically, the perturbation induced by an encounter with a planet on a meteoroid stream. Our analytical tool is the extension of pik s theory of close encounters, that we apply to streams described by geocentric variables. The resulting formulae are used to compute the rate at which a stream is dispersed by planetary encounters into the sporadic background. We have verified the accuracy of the analytical model using a numerical test.

Covering Resilience: A Recent Development for Binomial Checkpointing

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

Walther, Andrea; Narayanan, Sri Hari Krishna

In terms of computing time, adjoint methods offer a very attractive alternative to compute gradient information, required, e.g., for optimization purposes. However, together with this very favorable temporal complexity result comes a memory requirement that is in essence proportional with the operation count of the underlying function, e.g., if algorithmic differentiation is used to provide the adjoints. For this reason, checkpointing approaches in many variants have become popular. This paper analyzes an extension of the so-called binomial approach to cover also possible failures of the computing systems. Such a measure of precaution is of special interest for massive parallel simulationsmore » and adjoint calculations where the mean time between failure of the large scale computing system is smaller than the time needed to complete the calculation of the adjoint information. We describe the extensions of standard checkpointing approaches required for such resilience, provide a corresponding implementation and discuss first numerical results.« less

3D simulations of early blood vessel formation

NASA Astrophysics Data System (ADS)

Cavalli, F.; Gamba, A.; Naldi, G.; Semplice, M.; Valdembri, D.; Serini, G.

2007-08-01

Blood vessel networks form by spontaneous aggregation of individual cells migrating toward vascularization sites (vasculogenesis). A successful theoretical model of two-dimensional experimental vasculogenesis has been recently proposed, showing the relevance of percolation concepts and of cell cross-talk (chemotactic autocrine loop) to the understanding of this self-aggregation process. Here we study the natural 3D extension of the computational model proposed earlier, which is relevant for the investigation of the genuinely three-dimensional process of vasculogenesis in vertebrate embryos. The computational model is based on a multidimensional Burgers equation coupled with a reaction diffusion equation for a chemotactic factor and a mass conservation law. The numerical approximation of the computational model is obtained by high order relaxed schemes. Space and time discretization are performed by using TVD schemes and, respectively, IMEX schemes. Due to the computational costs of realistic simulations, we have implemented the numerical algorithm on a cluster for parallel computation. Starting from initial conditions mimicking the experimentally observed ones, numerical simulations produce network-like structures qualitatively similar to those observed in the early stages of in vivo vasculogenesis. We develop the computation of critical percolative indices as a robust measure of the network geometry as a first step towards the comparison of computational and experimental data.

Conical : An extended module for computing a numerically satisfactory pair of solutions of the differential equation for conical functions

NASA Astrophysics Data System (ADS)

Dunster, T. M.; Gil, A.; Segura, J.; Temme, N. M.

2017-08-01

Conical functions appear in a large number of applications in physics and engineering. In this paper we describe an extension of our module Conical (Gil et al., 2012) for the computation of conical functions. Specifically, the module includes now a routine for computing the function R-1/2+ iτ m (x) , a real-valued numerically satisfactory companion of the function P-1/2+ iτ m (x) for x > 1. In this way, a natural basis for solving Dirichlet problems bounded by conical domains is provided. The module also improves the performance of our previous algorithm for the conical function P-1/2+ iτ m (x) and it includes now the computation of the first order derivative of the function. This is also considered for the function R-1/2+ iτ m (x) in the extended algorithm.

Geometric Nonlinear Computation of Thin Rods and Shells

NASA Astrophysics Data System (ADS)

Grinspun, Eitan

2011-03-01

We develop simple, fast numerical codes for the dynamics of thin elastic rods and shells, by exploiting the connection between physics, geometry, and computation. By building a discrete mechanical picture from the ground up, mimicking the axioms, structures, and symmetries of the smooth setting, we produce numerical codes that not only are consistent in a classical sense, but also reproduce qualitative, characteristic behavior of a physical system----such as exact preservation of conservation laws----even for very coarse discretizations. As two recent examples, we present discrete computational models of elastic rods and shells, with straightforward extensions to the viscous setting. Even at coarse discretizations, the resulting simulations capture characteristic geometric instabilities. The numerical codes we describe are used in experimental mechanics, cinema, and consumer software products. This is joint work with Miklós Bergou, Basile Audoly, Max Wardetzky, and Etienne Vouga. This research is supported in part by the Sloan Foundation, the NSF, Adobe, Autodesk, Intel, the Walt Disney Company, and Weta Digital.

Evaluation of the three-dimensional parabolic flow computer program SHIP

NASA Technical Reports Server (NTRS)

Pan, Y. S.

1978-01-01

The three-dimensional parabolic flow program SHIP designed for predicting supersonic combustor flow fields is evaluated to determine its capabilities. The mathematical foundation and numerical procedure are reviewed; simplifications are pointed out and commented upon. The program is then evaluated numerically by applying it to several subsonic and supersonic, turbulent, reacting and nonreacting flow problems. Computational results are compared with available experimental or other analytical data. Good agreements are obtained when the simplifications on which the program is based are justified. Limitations of the program and the needs for improvement and extension are pointed out. The present three dimensional parabolic flow program appears to be potentially useful for the development of supersonic combustors.

SIMULATING RADIONUCLIDE FATE AND TRANSPORT IN THE UNSATURATED ZONE: EVALUATION AND SENSITIVITY ANALYSES OF SELECT COMPUTER MODELS

EPA Science Inventory

Numerical, mathematical models of water and chemical movement in soils are used as decision aids for determining soil screening levels (SSLs) of radionuclides in the unsaturated zone. Many models require extensive input parameters which include uncertainty due to soil variabil...

The CALL-SLA Interface: Insights from a Second-Order Synthesis

ERIC Educational Resources Information Center

Plonsky, Luke; Ziegler, Nicole

2016-01-01

The relationship between computer-assisted language learning (CALL) and second language acquisition (SLA) has been studied both extensively, covering numerous subdomains, and intensively, resulting in hundreds of primary studies. It is therefore no surprise that CALL researchers, as in other areas of applied linguistics, have turned in recent…

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

Pastore, Giovanni; Rabiti, Cristian; Pizzocri, Davide

PolyPole is a numerical algorithm for the calculation of intra-granular fission gas release. In particular, the algorithm solves the gas diffusion problem in a fuel grain in time-varying conditions. The program has been extensively tested. PolyPole combines a high accuracy with a high computational efficiency and is ideally suited for application in fuel performance codes.

The numerical approach adopted in toba computer code for mass and heat transfer dynamic analysis of metal hydride hydrogen storage beds

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

El Osery, I.A.

1983-12-01

Modelling studies of metal hydride hydrogen storage beds is a part of an extensive R and D program conducted in Egypt on hydrogen energy. In this context two computer programs; namely RET and RET1; have been developed. In RET computer program, a cylindrical conduction bed model is considered and an approximate analytical solution is used for solution of the associated mass and heat transfer problem. This problem is solved in RET1 computer program numerically allowing more flexibility in operating conditions but still limited to cylindrical configuration with only two alternatives for heat exchange; either fluid is passing through tubes imbeddedmore » in the solid alloy matrix or solid rods are surrounded by annular fluid tubes. The present computer code TOBA is more flexible and realistic. It performs the mass and heat transfer dynamic analysis of metal hydride storage beds using a variety of geometrical and operating alternatives.« less

Computation of Transonic Nozzle Sound Transmission and Rotor Problems by the Dispersion-Relation-Preserving Scheme

NASA Technical Reports Server (NTRS)

Tam, Christopher K. W.; Aganin, Alexei

2000-01-01

The transonic nozzle transmission problem and the open rotor noise radiation problem are solved computationally. Both are multiple length scales problems. For efficient and accurate numerical simulation, the multiple-size-mesh multiple-time-step Dispersion-Relation-Preserving scheme is used to calculate the time periodic solution. To ensure an accurate solution, high quality numerical boundary conditions are also needed. For the nozzle problem, a set of nonhomogeneous, outflow boundary conditions are required. The nonhomogeneous boundary conditions not only generate the incoming sound waves but also, at the same time, allow the reflected acoustic waves and entropy waves, if present, to exit the computation domain without reflection. For the open rotor problem, there is an apparent singularity at the axis of rotation. An analytic extension approach is developed to provide a high quality axis boundary treatment.

Re-Computation of Numerical Results Contained in NACA Report No. 496

NASA Technical Reports Server (NTRS)

Perry, Boyd, III

2015-01-01

An extensive examination of NACA Report No. 496 (NACA 496), "General Theory of Aerodynamic Instability and the Mechanism of Flutter," by Theodore Theodorsen, is described. The examination included checking equations and solution methods and re-computing interim quantities and all numerical examples in NACA 496. The checks revealed that NACA 496 contains computational shortcuts (time- and effort-saving devices for engineers of the time) and clever artifices (employed in its solution methods), but, unfortunately, also contains numerous tripping points (aspects of NACA 496 that have the potential to cause confusion) and some errors. The re-computations were performed employing the methods and procedures described in NACA 496, but using modern computational tools. With some exceptions, the magnitudes and trends of the original results were in fair-to-very-good agreement with the re-computed results. The exceptions included what are speculated to be computational errors in the original in some instances and transcription errors in the original in others. Independent flutter calculations were performed and, in all cases, including those where the original and re-computed results differed significantly, were in excellent agreement with the re-computed results. Appendix A contains NACA 496; Appendix B contains a Matlab(Reistered) program that performs the re-computation of results; Appendix C presents three alternate solution methods, with examples, for the two-degree-of-freedom solution method of NACA 496; Appendix D contains the three-degree-of-freedom solution method (outlined in NACA 496 but never implemented), with examples.

Towards developing robust algorithms for solving partial differential equations on MIMD machines

NASA Technical Reports Server (NTRS)

Saltz, Joel H.; Naik, Vijay K.

1988-01-01

Methods for efficient computation of numerical algorithms on a wide variety of MIMD machines are proposed. These techniques reorganize the data dependency patterns to improve the processor utilization. The model problem finds the time-accurate solution to a parabolic partial differential equation discretized in space and implicitly marched forward in time. The algorithms are extensions of Jacobi and SOR. The extensions consist of iterating over a window of several timesteps, allowing efficient overlap of computation with communication. The methods increase the degree to which work can be performed while data are communicated between processors. The effect of the window size and of domain partitioning on the system performance is examined both by implementing the algorithm on a simulated multiprocessor system.

Towards developing robust algorithms for solving partial differential equations on MIMD machines

NASA Technical Reports Server (NTRS)

Saltz, J. H.; Naik, V. K.

1985-01-01

Methods for efficient computation of numerical algorithms on a wide variety of MIMD machines are proposed. These techniques reorganize the data dependency patterns to improve the processor utilization. The model problem finds the time-accurate solution to a parabolic partial differential equation discretized in space and implicitly marched forward in time. The algorithms are extensions of Jacobi and SOR. The extensions consist of iterating over a window of several timesteps, allowing efficient overlap of computation with communication. The methods increase the degree to which work can be performed while data are communicated between processors. The effect of the window size and of domain partitioning on the system performance is examined both by implementing the algorithm on a simulated multiprocessor system.

Numerical modeling of the exterior-to-interior transmission of impulsive sound through three-dimensional, thin-walled elastic structures

NASA Astrophysics Data System (ADS)

Remillieux, Marcel C.; Pasareanu, Stephanie M.; Svensson, U. Peter

2013-12-01

Exterior propagation of impulsive sound and its transmission through three-dimensional, thin-walled elastic structures, into enclosed cavities, are investigated numerically in the framework of linear dynamics. A model was developed in the time domain by combining two numerical tools: (i) exterior sound propagation and induced structural loading are computed using the image-source method for the reflected field (specular reflections) combined with an extension of the Biot-Tolstoy-Medwin method for the diffracted field, (ii) the fully coupled vibro-acoustic response of the interior fluid-structure system is computed using a truncated modal-decomposition approach. In the model for exterior sound propagation, it is assumed that all surfaces are acoustically rigid. Since coupling between the structure and the exterior fluid is not enforced, the model is applicable to the case of a light exterior fluid and arbitrary interior fluid(s). The structural modes are computed with the finite-element method using shell elements. Acoustic modes are computed analytically assuming acoustically rigid boundaries and rectangular geometries of the enclosed cavities. This model is verified against finite-element solutions for the cases of rectangular structures containing one and two cavities, respectively.

Extending the Binomial Checkpointing Technique for Resilience

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

Walther, Andrea; Narayanan, Sri Hari Krishna

In terms of computing time, adjoint methods offer a very attractive alternative to compute gradient information, re- quired, e.g., for optimization purposes. However, together with this very favorable temporal complexity result comes a memory requirement that is in essence proportional with the operation count of the underlying function, e.g., if algo- rithmic differentiation is used to provide the adjoints. For this reason, checkpointing approaches in many variants have become popular. This paper analyzes an extension of the so-called binomial approach to cover also possible failures of the computing systems. Such a measure of precaution is of special interest for massivemore » parallel simulations and adjoint calculations where the mean time between failure of the large scale computing system is smaller than the time needed to complete the calculation of the adjoint information. We de- scribe the extensions of standard checkpointing approaches required for such resilience, provide a corresponding imple- mentation and discuss numerical results.« less

Numerical computation of spherical harmonics of arbitrary degree and order by extending exponent of floating point numbers

NASA Astrophysics Data System (ADS)

Fukushima, Toshio

2012-04-01

By extending the exponent of floating point numbers with an additional integer as the power index of a large radix, we compute fully normalized associated Legendre functions (ALF) by recursion without underflow problem. The new method enables us to evaluate ALFs of extremely high degree as 232 = 4,294,967,296, which corresponds to around 1 cm resolution on the Earth's surface. By limiting the application of exponent extension to a few working variables in the recursion, choosing a suitable large power of 2 as the radix, and embedding the contents of the basic arithmetic procedure of floating point numbers with the exponent extension directly in the program computing the recurrence formulas, we achieve the evaluation of ALFs in the double-precision environment at the cost of around 10% increase in computational time per single ALF. This formulation realizes meaningful execution of the spherical harmonic synthesis and/or analysis of arbitrary degree and order.

Computation of subsonic flow around airfoil systems with multiple separation

NASA Technical Reports Server (NTRS)

Jacob, K.

1982-01-01

A numerical method for computing the subsonic flow around multi-element airfoil systems was developed, allowing for flow separation at one or more elements. Besides multiple rear separation also sort bubbles on the upper surface and cove bubbles can approximately be taken into account. Also, compressibility effects for pure subsonic flow are approximately accounted for. After presentation the method is applied to several examples and improved in some details. Finally, the present limitations and desirable extensions are discussed.

BOOK REVIEW: Numerical Recipes in C++: The Art of Scientific Computing (2nd edn)1 Numerical Recipes Example Book (C++) (2nd edn)2 Numerical Recipes Multi-Language Code CD ROM with LINUX or UNIX Single-Screen License Revised Version3Numerical Recipes in C++: The Art of Scientific Computing (2nd edn) Numerical Recipes Example Book (C++) (2nd edn) Numerical Recipes Multi-Language Code CD ROM with LINUX or UNIX Single-Screen License Revised Version

NASA Astrophysics Data System (ADS)

Press, William H.; Teukolsky, Saul A.; Vettering, William T.; Flannery, Brian P.

2003-05-01

The two Numerical Recipes books are marvellous. The principal book, The Art of Scientific Computing, contains program listings for almost every conceivable requirement, and it also contains a well written discussion of the algorithms and the numerical methods involved. The Example Book provides a complete driving program, with helpful notes, for nearly all the routines in the principal book. The first edition of Numerical Recipes: The Art of Scientific Computing was published in 1986 in two versions, one with programs in Fortran, the other with programs in Pascal. There were subsequent versions with programs in BASIC and in C. The second, enlarged edition was published in 1992, again in two versions, one with programs in Fortran (NR(F)), the other with programs in C (NR(C)). In 1996 the authors produced Numerical Recipes in Fortran 90: The Art of Parallel Scientific Computing as a supplement, called Volume 2, with the original (Fortran) version referred to as Volume 1. Numerical Recipes in C++ (NR(C++)) is another version of the 1992 edition. The numerical recipes are also available on a CD ROM: if you want to use any of the recipes, I would strongly advise you to buy the CD ROM. The CD ROM contains the programs in all the languages. When the first edition was published I bought it, and have also bought copies of the other editions as they have appeared. Anyone involved in scientific computing ought to have a copy of at least one version of Numerical Recipes, and there also ought to be copies in every library. If you already have NR(F), should you buy the NR(C++) and, if not, which version should you buy? In the preface to Volume 2 of NR(F), the authors say 'C and C++ programmers have not been far from our minds as we have written this volume, and we think that you will find that time spent in absorbing its principal lessons will be amply repaid in the future as C and C++ eventually develop standard parallel extensions'. In the preface and introduction to NR(C++), the authors point out some of the problems in the use of C++ in scientific computing. I have not found any mention of parallel computing in NR(C++). Fortran has quite a lot going for it. As someone who has used it in most of its versions from Fortran II, I have seen it develop and leave behind other languages promoted by various enthusiasts: who now uses Algol or Pascal? I think it unlikely that C++ will disappear: it was devised as a systems language, and can also be used for other purposes such as scientific computing. It is possible that Fortran will disappear, but Fortran has the strengths that it can develop, that there are extensive Fortran subroutine libraries, and that it has been developed for parallel computing. To argue with programmers as to which is the best language to use is sterile. If you wish to use C++, then buy NR(C++), but you should also look at volume 2 of NR(F). If you are a Fortran programmer, then make sure you have NR(F), volumes 1 and 2. But whichever language you use, make sure you have one version or the other, and the CD ROM. The Example Book provides listings of complete programs to run nearly all the routines in NR, frequently based on cases where an anlytical solution is available. It is helpful when developing a new program incorporating an unfamiliar routine to see that routine actually working, and this is what the programs in the Example Book achieve. I started teaching computational physics before Numerical Recipes was published. If I were starting again, I would make heavy use of both The Art of Scientific Computing and of the Example Book. Every computational physics teaching laboratory should have both volumes: the programs in the Example Book are included on the CD ROM, but the extra commentary in the book itself is of considerable value. P Borcherds

Navier-Stokes Computations With One-Equation Turbulence Model for Flows Along Concave Wall Surfaces

NASA Technical Reports Server (NTRS)

Wang, Chi R.

2005-01-01

This report presents the use of a time-marching three-dimensional compressible Navier-Stokes equation numerical solver with a one-equation turbulence model to simulate the flow fields developed along concave wall surfaces without and with a downstream extension flat wall surface. The 3-D Navier- Stokes numerical solver came from the NASA Glenn-HT code. The one-equation turbulence model was derived from the Spalart and Allmaras model. The computational approach was first calibrated with the computations of the velocity and Reynolds shear stress profiles of a steady flat plate boundary layer flow. The computational approach was then used to simulate developing boundary layer flows along concave wall surfaces without and with a downstream extension wall. The author investigated the computational results of surface friction factors, near surface velocity components, near wall temperatures, and a turbulent shear stress component in terms of turbulence modeling, computational mesh configurations, inlet turbulence level, and time iteration step. The computational results were compared with existing measurements of skin friction factors, velocity components, and shear stresses of the developing boundary layer flows. With a fine computational mesh and a one-equation model, the computational approach could predict accurately the skin friction factors, near surface velocity and temperature, and shear stress within the flows. The computed velocity components and shear stresses also showed the vortices effect on the velocity variations over a concave wall. The computed eddy viscosities at the near wall locations were also compared with the results from a two equation turbulence modeling technique. The inlet turbulence length scale was found to have little effect on the eddy viscosities at locations near the concave wall surface. The eddy viscosities, from the one-equation and two-equation modeling, were comparable at most stream-wise stations. The present one-equation turbulence model is an effective approach for turbulence modeling in the near solid wall surface region of flow over a concave wall.

Servo-controlling structure of five-axis CNC system for real-time NURBS interpolating

NASA Astrophysics Data System (ADS)

Chen, Liangji; Guo, Guangsong; Li, Huiying

2017-07-01

NURBS (Non-Uniform Rational B-Spline) is widely used in CAD/CAM (Computer-Aided Design / Computer-Aided Manufacturing) to represent sculptured curves or surfaces. In this paper, we develop a 5-axis NURBS real-time interpolator and realize it in our developing CNC(Computer Numerical Control) system. At first, we use two NURBS curves to represent tool-tip and tool-axis path respectively. According to feedrate and Taylor series extension, servo-controlling signals of 5 axes are obtained for each interpolating cycle. Then, generation procedure of NC(Numerical Control) code with the presented method is introduced and the method how to integrate the interpolator into our developing CNC system is given. And also, the servo-controlling structure of the CNC system is introduced. Through the illustration, it has been indicated that the proposed method can enhance the machining accuracy and the spline interpolator is feasible for 5-axis CNC system.

Computational aeroacoustics and numerical simulation of supersonic jets

NASA Technical Reports Server (NTRS)

Morris, Philip J.; Long, Lyle N.

1996-01-01

The research project has been a computational study of computational aeroacoustics algorithms and numerical simulations of the flow and noise of supersonic jets. During this study a new method for the implementation of solid wall boundary conditions for complex geometries in three dimensions has been developed. In addition, a detailed study of the simulation of the flow in and noise from supersonic circular and rectangular jets has been conducted. Extensive comparisons have been made with experimental measurements. A summary of the results of the research program are attached as the main body of this report in the form of two publications. Also, the report lists the names of the students who were supported by this grant, their degrees, and the titles of their dissertations. In addition, a list of presentations and publications made by the Principal Investigators and the research students is also included.

Research on regional numerical weather prediction

NASA Technical Reports Server (NTRS)

Kreitzberg, C. W.

1976-01-01

Extension of the predictive power of dynamic weather forecasting to scales below the conventional synoptic or cyclonic scales in the near future is assessed. Lower costs per computation, more powerful computers, and a 100 km mesh over the North American area (with coarser mesh extending beyond it) are noted at present. Doubling the resolution even locally (to 50 km mesh) would entail a 16-fold increase in costs (including vertical resolution and halving the time interval), and constraints on domain size and length of forecast. Boundary conditions would be provided by the surrounding 100 km mesh, and time-varying lateral boundary conditions can be considered to handle moving phenomena. More physical processes to treat, more efficient numerical techniques, and faster computers (improved software and hardware) backing up satellite and radar data could produce further improvements in forecasting in the 1980s. Boundary layer modeling, initialization techniques, and quantitative precipitation forecasting are singled out among key tasks.

Meshfree and efficient modeling of swimming cells

NASA Astrophysics Data System (ADS)

Gallagher, Meurig T.; Smith, David J.

2018-05-01

Locomotion in Stokes flow is an intensively studied problem because it describes important biological phenomena such as the motility of many species' sperm, bacteria, algae, and protozoa. Numerical computations can be challenging, particularly in three dimensions, due to the presence of moving boundaries and complex geometries; methods which combine ease of implementation and computational efficiency are therefore needed. A recently proposed method to discretize the regularized Stokeslet boundary integral equation without the need for a connected mesh is applied to the inertialess locomotion problem in Stokes flow. The mathematical formulation and key aspects of the computational implementation in matlab® or GNU Octave are described, followed by numerical experiments with biflagellate algae and multiple uniflagellate sperm swimming between no-slip surfaces, for which both swimming trajectories and flow fields are calculated. These computational experiments required minutes of time on modest hardware; an extensible implementation is provided in a GitHub repository. The nearest-neighbor discretization dramatically improves convergence and robustness, a key challenge in extending the regularized Stokeslet method to complicated three-dimensional biological fluid problems.

Advances in the computation of transonic separated flows over finite wings

NASA Technical Reports Server (NTRS)

Kaynak, Unver; Flores, Jolen

1989-01-01

Problems encountered in numerical simulations of transonic wind-tunnel experiments with low-aspect-ratio wings are surveyed and illustrated. The focus is on the zonal Euler/Navier-Stokes program developed by Holst et al. (1985) and its application to shock-induced separation. The physical basis and numerical implementation of the method are reviewed, and results are presented from studies of the effects of artificial dissipation, boundary conditions, grid refinement, the turbulence model, and geometry representation on the simulation accuracy. Extensive graphs and diagrams and typical flow visualizations are provided.

The Relational Model Distilled to Support Data Modeling in IS 2002

ERIC Educational Resources Information Center

Waguespack, Leslie J., Jr.

2010-01-01

No individual subject area in IS 2002 impacts more aspects of computing theory or professional preparation than data modeling. For more than four decades the bedrock of data modeling has been the relational data model. There are numerous extensions, variations and implementations of this theory but its core remains the central anchor in the…

Numerical propulsion system simulation

NASA Technical Reports Server (NTRS)

Lytle, John K.; Remaklus, David A.; Nichols, Lester D.

1990-01-01

The cost of implementing new technology in aerospace propulsion systems is becoming prohibitively expensive. One of the major contributors to the high cost is the need to perform many large scale system tests. Extensive testing is used to capture the complex interactions among the multiple disciplines and the multiple components inherent in complex systems. The objective of the Numerical Propulsion System Simulation (NPSS) is to provide insight into these complex interactions through computational simulations. This will allow for comprehensive evaluation of new concepts early in the design phase before a commitment to hardware is made. It will also allow for rapid assessment of field-related problems, particularly in cases where operational problems were encountered during conditions that would be difficult to simulate experimentally. The tremendous progress taking place in computational engineering and the rapid increase in computing power expected through parallel processing make this concept feasible within the near future. However it is critical that the framework for such simulations be put in place now to serve as a focal point for the continued developments in computational engineering and computing hardware and software. The NPSS concept which is described will provide that framework.

An assessment of laser velocimetry in hypersonic flow

NASA Technical Reports Server (NTRS)

1992-01-01

Although extensive progress has been made in computational fluid mechanics, reliable flight vehicle designs and modifications still cannot be made without recourse to extensive wind tunnel testing. Future progress in the computation of hypersonic flow fields is restricted by the need for a reliable mean flow and turbulence modeling data base which could be used to aid in the development of improved empirical models for use in numerical codes. Currently, there are few compressible flow measurements which could be used for this purpose. In this report, the results of experiments designed to assess the potential for laser velocimeter measurements of mean flow and turbulent fluctuations in hypersonic flow fields are presented. Details of a new laser velocimeter system which was designed and built for this test program are described.

Fluid-solid interaction: benchmarking of an external coupling of ANSYS with CFX for cardiovascular applications.

PubMed

Hose, D R; Lawford, P V; Narracott, A J; Penrose, J M T; Jones, I P

2003-01-01

Fluid-solid interaction is a primary feature of cardiovascular flows. There is increasing interest in the numerical solution of these systems as the extensive computational resource required for such studies becomes available. One form of coupling is an external weak coupling of separate solid and fluid mechanics codes. Information about the stress tensor and displacement vector at the wetted boundary is passed between the codes, and an iterative scheme is employed to move towards convergence of these parameters at each time step. This approach has the attraction that separate codes with the most extensive functionality for each of the separate phases can be selected, which might be important in the context of the complex rheology and contact mechanics that often feature in cardiovascular systems. Penrose and Staples describe a weak coupling of CFX for computational fluid mechanics to ANSYS for solid mechanics, based on a simple Jacobi iteration scheme. It is important to validate the coupled numerical solutions. An extensive analytical study of flow in elastic-walled tubes was carried out by Womersley in the late 1950s. This paper describes the performance of the coupling software for the straight elastic-walled tube, and compares the results with Womersley's analytical solutions. It also presents preliminary results demonstrating the application of the coupled software in the context of a stented vessel.

Advanced numerical methods for three dimensional two-phase flow calculations

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

Toumi, I.; Caruge, D.

1997-07-01

This paper is devoted to new numerical methods developed for both one and three dimensional two-phase flow calculations. These methods are finite volume numerical methods and are based on the use of Approximate Riemann Solvers concepts to define convective fluxes versus mean cell quantities. The first part of the paper presents the numerical method for a one dimensional hyperbolic two-fluid model including differential terms as added mass and interface pressure. This numerical solution scheme makes use of the Riemann problem solution to define backward and forward differencing to approximate spatial derivatives. The construction of this approximate Riemann solver uses anmore » extension of Roe`s method that has been successfully used to solve gas dynamic equations. As far as the two-fluid model is hyperbolic, this numerical method seems very efficient for the numerical solution of two-phase flow problems. The scheme was applied both to shock tube problems and to standard tests for two-fluid computer codes. The second part describes the numerical method in the three dimensional case. The authors discuss also some improvements performed to obtain a fully implicit solution method that provides fast running steady state calculations. Such a scheme is not implemented in a thermal-hydraulic computer code devoted to 3-D steady-state and transient computations. Some results obtained for Pressurised Water Reactors concerning upper plenum calculations and a steady state flow in the core with rod bow effect evaluation are presented. In practice these new numerical methods have proved to be stable on non staggered grids and capable of generating accurate non oscillating solutions for two-phase flow calculations.« less

Computational Astrophysical Magnetohydrodynamics

NASA Astrophysics Data System (ADS)

Norman, M. L.

1994-05-01

Cosmic magnetic fields have intrigued and vexed astrophysicists seeking to understand their complex dynamics in a wide variety of astronomical settings. Magnetic fields are believed to play an important role in regulating star formation in molecular clouds, providing an effective viscosity in accretion disks, accelerating astrophysical jets, and influencing the large scale structure of the ISM of disk galaxies. Radio observations of supernova remnants and extragalactic radio jets prove that magnetic fields are are fundamentally linked to astrophysical particle acceleration. Magnetic fields exist on cosmological scales as shown by the existence of radio halos in clusters of galaxies. Theoretical investigation of these and other phenomena require numerical simulations due to the inherent complexity of MHD, but until now neither the computer power nor the numerical algorithms existed to mount a serious attack on the most important problems. That has now changed. Advances in parallel computing and numerical algorithms now permit the simulation of fully nonlinear, time-dependent astrophysical MHD in 2D and 3D. In this talk, I will describe the ZEUS codes for astrophysical MHD developed at the Laboratory for Computational Astrophysics (LCA) at the University of Illinois. These codes are now available to the national community. The numerical algorithms and test suite used to validate them are briefly discussed. Several applications of ZEUS to topics listed above are presented. An extension of ZEUS to model ambipolar diffusion in weakly ionized plasmas is illustrated. I discuss how continuing exponential growth in computer power and new numerical algorithms under development will allow us to tackle two grand challenges: compressible MHD turbulence and relativistic MHD. This work is partially supported by grants NSF AST-9201113 and NASA NAG 5-2493.

Numerical simulation of electron scattering by nanotube junctions

NASA Astrophysics Data System (ADS)

Brüning, J.; Grikurov, V. E.

2008-03-01

We demonstrate the possibility of computing the intensity of electronic transport through various junctions of three-dimensional metallic nanotubes. In particular, we observe that the magnetic field can be used to control the switch of electron in Y-type junctions. Keeping in mind the asymptotic modeling of reliable nanostructures by quantum graphs, we conjecture that the scattering matrix of the graph should be the same as the scattering matrix of its nanosize-prototype. The numerical computation of the latter gives a method for determining the "gluing" conditions at a graph. Exploring this conjecture, we show that the Kirchhoff conditions (which are commonly used on graphs) cannot be applied to model reliable junctions. This work is a natural extension of the paper [1], but it is written in a self-consistent manner.

A non-oscillatory energy-splitting method for the computation of compressible multi-fluid flows

NASA Astrophysics Data System (ADS)

Lei, Xin; Li, Jiequan

2018-04-01

This paper proposes a new non-oscillatory energy-splitting conservative algorithm for computing multi-fluid flows in the Eulerian framework. In comparison with existing multi-fluid algorithms in the literature, it is shown that the mass fraction model with isobaric hypothesis is a plausible choice for designing numerical methods for multi-fluid flows. Then we construct a conservative Godunov-based scheme with the high order accurate extension by using the generalized Riemann problem solver, through the detailed analysis of kinetic energy exchange when fluids are mixed under the hypothesis of isobaric equilibrium. Numerical experiments are carried out for the shock-interface interaction and shock-bubble interaction problems, which display the excellent performance of this type of schemes and demonstrate that nonphysical oscillations are suppressed around material interfaces substantially.

A numerical algorithm for MHD of free surface flows at low magnetic Reynolds numbers

NASA Astrophysics Data System (ADS)

Samulyak, Roman; Du, Jian; Glimm, James; Xu, Zhiliang

2007-10-01

We have developed a numerical algorithm and computational software for the study of magnetohydrodynamics (MHD) of free surface flows at low magnetic Reynolds numbers. The governing system of equations is a coupled hyperbolic-elliptic system in moving and geometrically complex domains. The numerical algorithm employs the method of front tracking and the Riemann problem for material interfaces, second order Godunov-type hyperbolic solvers, and the embedded boundary method for the elliptic problem in complex domains. The numerical algorithm has been implemented as an MHD extension of FronTier, a hydrodynamic code with free interface support. The code is applicable for numerical simulations of free surface flows of conductive liquids or weakly ionized plasmas. The code has been validated through the comparison of numerical simulations of a liquid metal jet in a non-uniform magnetic field with experiments and theory. Simulations of the Muon Collider/Neutrino Factory target have also been discussed.

Quantifying spatial distribution of spurious mixing in ocean models.

PubMed

Ilıcak, Mehmet

2016-12-01

Numerical mixing is inevitable for ocean models due to tracer advection schemes. Until now, there is no robust way to identify the regions of spurious mixing in ocean models. We propose a new method to compute the spatial distribution of the spurious diapycnic mixing in an ocean model. This new method is an extension of available potential energy density method proposed by Winters and Barkan (2013). We test the new method in lock-exchange and baroclinic eddies test cases. We can quantify the amount and the location of numerical mixing. We find high-shear areas are the main regions which are susceptible to numerical truncation errors. We also test the new method to quantify the numerical mixing in different horizontal momentum closures. We conclude that Smagorinsky viscosity has less numerical mixing than the Leith viscosity using the same non-dimensional constant.

A Modeling Framework for Optimal Computational Resource Allocation Estimation: Considering the Trade-offs between Physical Resolutions, Uncertainty and Computational Costs

NASA Astrophysics Data System (ADS)

Moslehi, M.; de Barros, F.; Rajagopal, R.

2014-12-01

Hydrogeological models that represent flow and transport in subsurface domains are usually large-scale with excessive computational complexity and uncertain characteristics. Uncertainty quantification for predicting flow and transport in heterogeneous formations often entails utilizing a numerical Monte Carlo framework, which repeatedly simulates the model according to a random field representing hydrogeological characteristics of the field. The physical resolution (e.g. grid resolution associated with the physical space) for the simulation is customarily chosen based on recommendations in the literature, independent of the number of Monte Carlo realizations. This practice may lead to either excessive computational burden or inaccurate solutions. We propose an optimization-based methodology that considers the trade-off between the following conflicting objectives: time associated with computational costs, statistical convergence of the model predictions and physical errors corresponding to numerical grid resolution. In this research, we optimally allocate computational resources by developing a modeling framework for the overall error based on a joint statistical and numerical analysis and optimizing the error model subject to a given computational constraint. The derived expression for the overall error explicitly takes into account the joint dependence between the discretization error of the physical space and the statistical error associated with Monte Carlo realizations. The accuracy of the proposed framework is verified in this study by applying it to several computationally extensive examples. Having this framework at hand aims hydrogeologists to achieve the optimum physical and statistical resolutions to minimize the error with a given computational budget. Moreover, the influence of the available computational resources and the geometric properties of the contaminant source zone on the optimum resolutions are investigated. We conclude that the computational cost associated with optimal allocation can be substantially reduced compared with prevalent recommendations in the literature.

Fourth order exponential time differencing method with local discontinuous Galerkin approximation for coupled nonlinear Schrodinger equations

DOE PAGES

Liang, Xiao; Khaliq, Abdul Q. M.; Xing, Yulong

2015-01-23

In this paper, we study a local discontinuous Galerkin method combined with fourth order exponential time differencing Runge-Kutta time discretization and a fourth order conservative method for solving the nonlinear Schrödinger equations. Based on different choices of numerical fluxes, we propose both energy-conserving and energy-dissipative local discontinuous Galerkin methods, and have proven the error estimates for the semi-discrete methods applied to linear Schrödinger equation. The numerical methods are proven to be highly efficient and stable for long-range soliton computations. Finally, extensive numerical examples are provided to illustrate the accuracy, efficiency and reliability of the proposed methods.

Numerical discretization-based estimation methods for ordinary differential equation models via penalized spline smoothing with applications in biomedical research.

PubMed

Wu, Hulin; Xue, Hongqi; Kumar, Arun

2012-06-01

Differential equations are extensively used for modeling dynamics of physical processes in many scientific fields such as engineering, physics, and biomedical sciences. Parameter estimation of differential equation models is a challenging problem because of high computational cost and high-dimensional parameter space. In this article, we propose a novel class of methods for estimating parameters in ordinary differential equation (ODE) models, which is motivated by HIV dynamics modeling. The new methods exploit the form of numerical discretization algorithms for an ODE solver to formulate estimating equations. First, a penalized-spline approach is employed to estimate the state variables and the estimated state variables are then plugged in a discretization formula of an ODE solver to obtain the ODE parameter estimates via a regression approach. We consider three different order of discretization methods, Euler's method, trapezoidal rule, and Runge-Kutta method. A higher-order numerical algorithm reduces numerical error in the approximation of the derivative, which produces a more accurate estimate, but its computational cost is higher. To balance the computational cost and estimation accuracy, we demonstrate, via simulation studies, that the trapezoidal discretization-based estimate is the best and is recommended for practical use. The asymptotic properties for the proposed numerical discretization-based estimators are established. Comparisons between the proposed methods and existing methods show a clear benefit of the proposed methods in regards to the trade-off between computational cost and estimation accuracy. We apply the proposed methods t an HIV study to further illustrate the usefulness of the proposed approaches. © 2012, The International Biometric Society.

Computational open-channel hydraulics for movable-bed problems

USGS Publications Warehouse

Lai, Chintu; ,

1990-01-01

As a major branch of computational hydraulics, notable advances have been made in numerical modeling of unsteady open-channel flow since the beginning of the computer age. According to the broader definition and scope of 'computational hydraulics,' the basic concepts and technology of modeling unsteady open-channel flow have been systematically studied previously. As a natural extension, computational open-channel hydraulics for movable-bed problems are addressed in this paper. The introduction of the multimode method of characteristics (MMOC) has made the modeling of this class of unsteady flows both practical and effective. New modeling techniques are developed, thereby shedding light on several aspects of computational hydraulics. Some special features of movable-bed channel-flow simulation are discussed here in the same order as given by the author in the fixed-bed case.

Quantum logic between remote quantum registers

NASA Astrophysics Data System (ADS)

Yao, N. Y.; Gong, Z.-X.; Laumann, C. R.; Bennett, S. D.; Duan, L.-M.; Lukin, M. D.; Jiang, L.; Gorshkov, A. V.

2013-02-01

We consider two approaches to dark-spin-mediated quantum computing in hybrid solid-state spin architectures. First, we review the notion of eigenmode-mediated unpolarized spin-chain state transfer and extend the analysis to various experimentally relevant imperfections: quenched disorder, dynamical decoherence, and uncompensated long-range coupling. In finite-length chains, the interplay between disorder-induced localization and decoherence yields a natural optimal channel fidelity, which we calculate. Long-range dipolar couplings induce a finite intrinsic lifetime for the mediating eigenmode; extensive numerical simulations of dipolar chains of lengths up to L=12 show remarkably high fidelity despite these decay processes. We further briefly consider the extension of the protocol to bosonic systems of coupled oscillators. Second, we introduce a quantum mirror based architecture for universal quantum computing that exploits all of the dark spins in the system as potential qubits. While this dramatically increases the number of qubits available, the composite operations required to manipulate dark-spin qubits significantly raise the error threshold for robust operation. Finally, we demonstrate that eigenmode-mediated state transfer can enable robust long-range logic between spatially separated nitrogen-vacancy registers in diamond; disorder-averaged numerics confirm that high-fidelity gates are achievable even in the presence of moderate disorder.

Presentation Extensions of the SOAP

NASA Technical Reports Server (NTRS)

Carnright, Robert; Stodden, David; Coggi, John

2009-01-01

A set of extensions of the Satellite Orbit Analysis Program (SOAP) enables simultaneous and/or sequential presentation of information from multiple sources. SOAP is used in the aerospace community as a means of collaborative visualization and analysis of data on planned spacecraft missions. The following definitions of terms also describe the display modalities of SOAP as now extended: In SOAP terminology, View signifies an animated three-dimensional (3D) scene, two-dimensional still image, plot of numerical data, or any other visible display derived from a computational simulation or other data source; a) "Viewport" signifies a rectangular portion of a computer-display window containing a view; b) "Palette" signifies a collection of one or more viewports configured for simultaneous (split-screen) display in the same window; c) "Slide" signifies a palette with a beginning and ending time and an animation time step; and d) "Presentation" signifies a prescribed sequence of slides. For example, multiple 3D views from different locations can be crafted for simultaneous display and combined with numerical plots and other representations of data for both qualitative and quantitative analysis. The resulting sets of views can be temporally sequenced to convey visual impressions of a sequence of events for a planned mission.

rpe v5: an emulator for reduced floating-point precision in large numerical simulations

NASA Astrophysics Data System (ADS)

Dawson, Andrew; Düben, Peter D.

2017-06-01

This paper describes the rpe (reduced-precision emulator) library which has the capability to emulate the use of arbitrary reduced floating-point precision within large numerical models written in Fortran. The rpe software allows model developers to test how reduced floating-point precision affects the result of their simulations without having to make extensive code changes or port the model onto specialized hardware. The software can be used to identify parts of a program that are problematic for numerical precision and to guide changes to the program to allow a stronger reduction in precision.The development of rpe was motivated by the strong demand for more computing power. If numerical precision can be reduced for an application under consideration while still achieving results of acceptable quality, computational cost can be reduced, since a reduction in numerical precision may allow an increase in performance or a reduction in power consumption. For simulations with weather and climate models, savings due to a reduction in precision could be reinvested to allow model simulations at higher spatial resolution or complexity, or to increase the number of ensemble members to improve predictions. rpe was developed with a particular focus on the community of weather and climate modelling, but the software could be used with numerical simulations from other domains.

Fast sweeping method for the factored eikonal equation

NASA Astrophysics Data System (ADS)

Fomel, Sergey; Luo, Songting; Zhao, Hongkai

2009-09-01

We develop a fast sweeping method for the factored eikonal equation. By decomposing the solution of a general eikonal equation as the product of two factors: the first factor is the solution to a simple eikonal equation (such as distance) or a previously computed solution to an approximate eikonal equation. The second factor is a necessary modification/correction. Appropriate discretization and a fast sweeping strategy are designed for the equation of the correction part. The key idea is to enforce the causality of the original eikonal equation during the Gauss-Seidel iterations. Using extensive numerical examples we demonstrate that (1) the convergence behavior of the fast sweeping method for the factored eikonal equation is the same as for the original eikonal equation, i.e., the number of iterations for the Gauss-Seidel iterations is independent of the mesh size, (2) the numerical solution from the factored eikonal equation is more accurate than the numerical solution directly computed from the original eikonal equation, especially for point sources.

Efficient fuzzy Bayesian inference algorithms for incorporating expert knowledge in parameter estimation

NASA Astrophysics Data System (ADS)

Rajabi, Mohammad Mahdi; Ataie-Ashtiani, Behzad

2016-05-01

Bayesian inference has traditionally been conceived as the proper framework for the formal incorporation of expert knowledge in parameter estimation of groundwater models. However, conventional Bayesian inference is incapable of taking into account the imprecision essentially embedded in expert provided information. In order to solve this problem, a number of extensions to conventional Bayesian inference have been introduced in recent years. One of these extensions is 'fuzzy Bayesian inference' which is the result of integrating fuzzy techniques into Bayesian statistics. Fuzzy Bayesian inference has a number of desirable features which makes it an attractive approach for incorporating expert knowledge in the parameter estimation process of groundwater models: (1) it is well adapted to the nature of expert provided information, (2) it allows to distinguishably model both uncertainty and imprecision, and (3) it presents a framework for fusing expert provided information regarding the various inputs of the Bayesian inference algorithm. However an important obstacle in employing fuzzy Bayesian inference in groundwater numerical modeling applications is the computational burden, as the required number of numerical model simulations often becomes extremely exhaustive and often computationally infeasible. In this paper, a novel approach of accelerating the fuzzy Bayesian inference algorithm is proposed which is based on using approximate posterior distributions derived from surrogate modeling, as a screening tool in the computations. The proposed approach is first applied to a synthetic test case of seawater intrusion (SWI) in a coastal aquifer. It is shown that for this synthetic test case, the proposed approach decreases the number of required numerical simulations by an order of magnitude. Then the proposed approach is applied to a real-world test case involving three-dimensional numerical modeling of SWI in Kish Island, located in the Persian Gulf. An expert elicitation methodology is developed and applied to the real-world test case in order to provide a road map for the use of fuzzy Bayesian inference in groundwater modeling applications.

A modal analysis of lamellar diffraction gratings in conical mountings

NASA Technical Reports Server (NTRS)

Li, Lifeng

1992-01-01

A rigorous modal analysis of lamellar grating, i.e., gratings having rectangular grooves, in conical mountings is presented. It is an extension of the analysis of Botten et al. which considered non-conical mountings. A key step in the extension is a decomposition of the electromagnetic field in the grating region into two orthogonal components. A computer program implementing this extended modal analysis is capable of dealing with plane wave diffraction by dielectric and metallic gratings with deep grooves, at arbitrary angles of incidence, and having arbitrary incident polarizations. Some numerical examples are included.

Numerical simulation of the flow about the F-18 HARV at high angle of attack

NASA Technical Reports Server (NTRS)

Murman, Scott M.

1994-01-01

This report summarizes research done over the past two years as part of NASA Grant NCC 2-729. This research has been aimed at validating numerical methods for computing the flow about the complete F-18 HARV at alpha = 30 deg and alpha = 45 deg. At 30 deg angle of attack, the flow about the F-18 is dominated by the formation, and subsequent breakdown, of strong vortices over the wing leading-edge extensions (LEX). As the angle of attack is increased to alpha = 45 deg, the fuselage forebody of the F-18 contains significant laminar and transitional regions which are not present at alpha = 30 deg. Further, the flow over the LEX at alpha = 45 deg is dominated by an unsteady shedding in time, rather than strong coherent vortices. This complex physics, combined with the complex geometry of a full aircraft configuration, provides a challenge for current computational fluid dynamics (CFD) techniques. The following sections present the numerical method and grid generation scheme that was used, a review of prior research done to numerically model the F-18 HARV, and a discussion of the current research. The current research is broken into two main topics: the effect of engine-inlet mass-flow rate on the F-18 vortex breakdown position, and the results using a refined F-18 computational model to compute the flow at alpha = 30 deg and alpha = 45 deg.

Numerical simulation of the flow about the F-18 HARV at high angle of attack

NASA Technical Reports Server (NTRS)

Murman, Scott M.

1995-01-01

This research has been aimed at validating numerical methods for computing the flow about the complete F-18 HARV at alpha = 30 deg and alpha = 45 deg. At 30 deg angle of attack, the flow about the F-18 is dominated by the formation, and subsequent breakdown, of strong vortices over the wing leading-edge extensions (LEX). As the angle of attack is increased to alpha = 45 deg, the fuselage forebody of the F-18 contains significant laminar and transitional regions which are not present at alpha = 30 deg. Further, the flow over the LEX at alpha = 45 deg is dominated by an unsteady shedding in time, rather than strong coherent vortices. This complex physics, combined with the complex geometry of a full-aircraft configuration, provides a challenge for current computational fluid dynamics (CFD) techniques. The following sections present the numerical method and grid generation scheme that was used, a review of prior research done to numerically model the F-18 HARV, and a discussion of the current research. The current research is broken into three main topics; the effect of engine-inlet mass-flow rate on the F-18 vortex breakdown position, the results using a refined F-18 computational model to compute the flow at alpha = 30 deg and alpha = 45 deg, and research done using the simplified geometry of an ogive-cylinder configuration to investigate the physics of unsteady shear-layer shedding. The last section briefly summarizes the discussion.

HEPMath 1.4: A mathematica package for semi-automatic computations in high energy physics

NASA Astrophysics Data System (ADS)

Wiebusch, Martin

2015-10-01

This article introduces the Mathematica package HEPMath which provides a number of utilities and algorithms for High Energy Physics computations in Mathematica. Its functionality is similar to packages like FormCalc or FeynCalc, but it takes a more complete and extensible approach to implementing common High Energy Physics notations in the Mathematica language, in particular those related to tensors and index contractions. It also provides a more flexible method for the generation of numerical code which is based on new features for C code generation in Mathematica. In particular it can automatically generate Python extension modules which make the compiled functions callable from Python, thus eliminating the need to write any code in a low-level language like C or Fortran. It also contains seamless interfaces to LHAPDF, FeynArts, and LoopTools.

CONORBIT: constrained optimization by radial basis function interpolation in trust regions

DOE PAGES

Regis, Rommel G.; Wild, Stefan M.

2016-09-26

Here, this paper presents CONORBIT (CONstrained Optimization by Radial Basis function Interpolation in Trust regions), a derivative-free algorithm for constrained black-box optimization where the objective and constraint functions are computationally expensive. CONORBIT employs a trust-region framework that uses interpolating radial basis function (RBF) models for the objective and constraint functions, and is an extension of the ORBIT algorithm. It uses a small margin for the RBF constraint models to facilitate the generation of feasible iterates, and extensive numerical tests confirm that such a margin is helpful in improving performance. CONORBIT is compared with other algorithms on 27 test problems, amore » chemical process optimization problem, and an automotive application. Numerical results show that CONORBIT performs better than COBYLA, a sequential penalty derivative-free method, an augmented Lagrangian method, a direct search method, and another RBF-based algorithm on the test problems and on the automotive application.« less

Mathematical, numerical and experimental analysis of the swirling flow at a Kaplan runner outlet

NASA Astrophysics Data System (ADS)

Muntean, S.; Ciocan, T.; Susan-Resiga, R. F.; Cervantes, M.; Nilsson, H.

2012-11-01

The paper presents a novel mathematical model for a-priori computation of the swirling flow at Kaplan runners outlet. The model is an extension of the initial version developed by Susan-Resiga et al [1], to include the contributions of non-negligible radial velocity and of the variable rothalpy. Simple analytical expressions are derived for these additional data from three-dimensional numerical simulations of the Kaplan turbine. The final results, i.e. velocity components profiles, are validated against experimental data at two operating points, with the same Kaplan runner blades opening, but variable discharge.

Effects of absorption on multiple scattering by random particulate media: exact results.

PubMed

Mishchenko, Michael I; Liu, Li; Hovenier, Joop W

2007-10-01

We employ the numerically exact superposition T-matrix method to perform extensive computations of elec nottromagnetic scattering by a volume of discrete random medium densely filled with increasingly absorbing as well as non-absorbing particles. Our numerical data demonstrate that increasing absorption diminishes and nearly extinguishes certain optical effects such as depolarization and coherent backscattering and increases the angular width of coherent backscattering patterns. This result corroborates the multiple-scattering origin of such effects and further demonstrates the heuristic value of the concept of multiple scattering even in application to densely packed particulate media.

Evaluation of CFD to Determine Two-Dimensional Airfoil Characteristics for Rotorcraft Applications

NASA Technical Reports Server (NTRS)

Smith, Marilyn J.; Wong, Tin-Chee; Potsdam, Mark; Baeder, James; Phanse, Sujeet

2004-01-01

The efficient prediction of helicopter rotor performance, vibratory loads, and aeroelastic properties still relies heavily on the use of comprehensive analysis codes by the rotorcraft industry. These comprehensive codes utilize look-up tables to provide two-dimensional aerodynamic characteristics. Typically these tables are comprised of a combination of wind tunnel data, empirical data and numerical analyses. The potential to rely more heavily on numerical computations based on Computational Fluid Dynamics (CFD) simulations has become more of a reality with the advent of faster computers and more sophisticated physical models. The ability of five different CFD codes applied independently to predict the lift, drag and pitching moments of rotor airfoils is examined for the SC1095 airfoil, which is utilized in the UH-60A main rotor. Extensive comparisons with the results of ten wind tunnel tests are performed. These CFD computations are found to be as good as experimental data in predicting many of the aerodynamic performance characteristics. Four turbulence models were examined (Baldwin-Lomax, Spalart-Allmaras, Menter SST, and k-omega).

Brute force meets Bruno force in parameter optimisation: introduction of novel constraints for parameter accuracy improvement by symbolic computation.

PubMed

Nakatsui, M; Horimoto, K; Lemaire, F; Ürgüplü, A; Sedoglavic, A; Boulier, F

2011-09-01

Recent remarkable advances in computer performance have enabled us to estimate parameter values by the huge power of numerical computation, the so-called 'Brute force', resulting in the high-speed simultaneous estimation of a large number of parameter values. However, these advancements have not been fully utilised to improve the accuracy of parameter estimation. Here the authors review a novel method for parameter estimation using symbolic computation power, 'Bruno force', named after Bruno Buchberger, who found the Gröbner base. In the method, the objective functions combining the symbolic computation techniques are formulated. First, the authors utilise a symbolic computation technique, differential elimination, which symbolically reduces an equivalent system of differential equations to a system in a given model. Second, since its equivalent system is frequently composed of large equations, the system is further simplified by another symbolic computation. The performance of the authors' method for parameter accuracy improvement is illustrated by two representative models in biology, a simple cascade model and a negative feedback model in comparison with the previous numerical methods. Finally, the limits and extensions of the authors' method are discussed, in terms of the possible power of 'Bruno force' for the development of a new horizon in parameter estimation.

Performance advantages of CPML over UPML absorbing boundary conditions in FDTD algorithm

NASA Astrophysics Data System (ADS)

Gvozdic, Branko D.; Djurdjevic, Dusan Z.

2017-01-01

Implementation of absorbing boundary condition (ABC) has a very important role in simulation performance and accuracy in finite difference time domain (FDTD) method. The perfectly matched layer (PML) is the most efficient type of ABC. The aim of this paper is to give detailed insight in and discussion of boundary conditions and hence to simplify the choice of PML used for termination of computational domain in FDTD method. In particular, we demonstrate that using the convolutional PML (CPML) has significant advantages in terms of implementation in FDTD method and reducing computer resources than using uniaxial PML (UPML). An extensive number of numerical experiments has been performed and results have shown that CPML is more efficient in electromagnetic waves absorption. Numerical code is prepared, several problems are analyzed and relative error is calculated and presented.

The Numerical Propulsion System Simulation: An Overview

NASA Technical Reports Server (NTRS)

Lytle, John K.

2000-01-01

Advances in computational technology and in physics-based modeling are making large-scale, detailed simulations of complex systems possible within the design environment. For example, the integration of computing, communications, and aerodynamics has reduced the time required to analyze major propulsion system components from days and weeks to minutes and hours. This breakthrough has enabled the detailed simulation of major propulsion system components to become a routine part of designing systems, providing the designer with critical information about the components early in the design process. This paper describes the development of the numerical propulsion system simulation (NPSS), a modular and extensible framework for the integration of multicomponent and multidisciplinary analysis tools using geographically distributed resources such as computing platforms, data bases, and people. The analysis is currently focused on large-scale modeling of complete aircraft engines. This will provide the product developer with a "virtual wind tunnel" that will reduce the number of hardware builds and tests required during the development of advanced aerospace propulsion systems.

Inconsistencies in Numerical Simulations of Dynamical Systems Using Interval Arithmetic

NASA Astrophysics Data System (ADS)

Nepomuceno, Erivelton G.; Peixoto, Márcia L. C.; Martins, Samir A. M.; Rodrigues, Heitor M.; Perc, Matjaž

Over the past few decades, interval arithmetic has been attracting widespread interest from the scientific community. With the expansion of computing power, scientific computing is encountering a noteworthy shift from floating-point arithmetic toward increased use of interval arithmetic. Notwithstanding the significant reliability of interval arithmetic, this paper presents a theoretical inconsistency in a simulation of dynamical systems using a well-known implementation of arithmetic interval. We have observed that two natural interval extensions present an empty intersection during a finite time range, which is contrary to the fundamental theorem of interval analysis. We have proposed a procedure to at least partially overcome this problem, based on the union of the two generated pseudo-orbits. This paper also shows a successful case of interval arithmetic application in the reduction of interval width size on the simulation of discrete map. The implications of our findings on the reliability of scientific computing using interval arithmetic have been properly addressed using two numerical examples.

Efficient and Flexible Computation of Many-Electron Wave Function Overlaps.

PubMed

Plasser, Felix; Ruckenbauer, Matthias; Mai, Sebastian; Oppel, Markus; Marquetand, Philipp; González, Leticia

2016-03-08

A new algorithm for the computation of the overlap between many-electron wave functions is described. This algorithm allows for the extensive use of recurring intermediates and thus provides high computational efficiency. Because of the general formalism employed, overlaps can be computed for varying wave function types, molecular orbitals, basis sets, and molecular geometries. This paves the way for efficiently computing nonadiabatic interaction terms for dynamics simulations. In addition, other application areas can be envisaged, such as the comparison of wave functions constructed at different levels of theory. Aside from explaining the algorithm and evaluating the performance, a detailed analysis of the numerical stability of wave function overlaps is carried out, and strategies for overcoming potential severe pitfalls due to displaced atoms and truncated wave functions are presented.

Transient Three-Dimensional Side Load Analysis of a Film Cooled Nozzle

NASA Technical Reports Server (NTRS)

Wang, Ten-See; Guidos, Mike

2008-01-01

Transient three-dimensional numerical investigations on the side load physics for an engine encompassing a film cooled nozzle extension and a regeneratively cooled thrust chamber, were performed. The objectives of this study are to identify the three-dimensional side load physics and to compute the associated aerodynamic side load using an anchored computational methodology. The computational methodology is based on an unstructured-grid, pressure-based computational fluid dynamics formulation, and a transient inlet history based on an engine system simulation. Ultimately, the computational results will be provided to the nozzle designers for estimating of effect of the peak side load on the nozzle structure. Computations simulating engine startup at ambient pressures corresponding to sea level and three high altitudes were performed. In addition, computations for both engine startup and shutdown transients were also performed for a stub nozzle, operating at sea level. For engine with the full nozzle extension, computational result shows starting up at sea level, the peak side load occurs when the lambda shock steps into the turbine exhaust flow, while the side load caused by the transition from free-shock separation to restricted-shock separation comes at second; and the side loads decreasing rapidly and progressively as the ambient pressure decreases. For the stub nozzle operating at sea level, the computed side loads during both startup and shutdown becomes very small due to the much reduced flow area.

Numerical Simulation of Flow Through an Artificial Heart

NASA Technical Reports Server (NTRS)

Rogers, Stuart E.; Kutler, Paul; Kwak, Dochan; Kiris, Cetin

1989-01-01

A solution procedure was developed that solves the unsteady, incompressible Navier-Stokes equations, and was used to numerically simulate viscous incompressible flow through a model of the Pennsylvania State artificial heart. The solution algorithm is based on the artificial compressibility method, and uses flux-difference splitting to upwind the convective terms; a line-relaxation scheme is used to solve the equations. The time-accuracy of the method is obtained by iteratively solving the equations at each physical time step. The artificial heart geometry involves a piston-type action with a moving solid wall. A single H-grid is fit inside the heart chamber. The grid is continuously compressed and expanded with a constant number of grid points to accommodate the moving piston. The computational domain ends at the valve openings where nonreflective boundary conditions based on the method of characteristics are applied. Although a number of simplifing assumptions were made regarding the geometry, the computational results agreed reasonably well with an experimental picture. The computer time requirements for this flow simulation, however, are quite extensive. Computational study of this type of geometry would benefit greatly from improvements in computer hardware speed and algorithm efficiency enhancements.

A non-axisymmetric linearized supersonic wave drag analysis: Mathematical theory

NASA Technical Reports Server (NTRS)

Barnhart, Paul J.

1996-01-01

A Mathematical theory is developed to perform the calculations necessary to determine the wave drag for slender bodies of non-circular cross section. The derivations presented in this report are based on extensions to supersonic linearized small perturbation theory. A numerical scheme is presented utilizing Fourier decomposition to compute the pressure coefficient on and about a slender body of arbitrary cross section.

Numerically Exact Computer Simulations of Light Scattering by Densely Packed, Random Particulate Media

NASA Technical Reports Server (NTRS)

Dlugach, Janna M.; Mishchenko, Michael I.; Liu, Li; Mackowski, Daniel W.

2011-01-01

Direct computer simulations of electromagnetic scattering by discrete random media have become an active area of research. In this progress review, we summarize and analyze our main results obtained by means of numerically exact computer solutions of the macroscopic Maxwell equations. We consider finite scattering volumes with size parameters in the range, composed of varying numbers of randomly distributed particles with different refractive indices. The main objective of our analysis is to examine whether all backscattering effects predicted by the low-density theory of coherent backscattering (CB) also take place in the case of densely packed media. Based on our extensive numerical data we arrive at the following conclusions: (i) all backscattering effects predicted by the asymptotic theory of CB can also take place in the case of densely packed media; (ii) in the case of very large particle packing density, scattering characteristics of discrete random media can exhibit behavior not predicted by the low-density theories of CB and radiative transfer; (iii) increasing the absorptivity of the constituent particles can either enhance or suppress typical manifestations of CB depending on the particle packing density and the real part of the refractive index. Our numerical data strongly suggest that spectacular backscattering effects identified in laboratory experiments and observed for a class of high-albedo Solar System objects are caused by CB.

Numerical simulation of steady supersonic flow over spinning bodies of revolution

NASA Technical Reports Server (NTRS)

Sturek, W. B.; Schiff, L. B.

1982-01-01

A recently reported parabolized Navier-Stokes code has been employed to compute the supersonic flowfield about a spinning cone and spinning and nonspinning ogive cylinder and boattailed bodies of revolution at moderate incidence. The computations were performed for flow conditions where extensive measurements for wall pressure, boundary-layer velocity profiles, and Magnus force had been obtained. Comparisons between the computational results and experiment indicate excellent agreement for angles of attack up to 6 deg. At angles greater than 6 deg discrepancies are noted which are tentatively attributed to turbulence modeling errors. The comparisons for Magnus effects show that the code accurately predicts the effects of body shape for the selected models.

A Collaborative Extensible User Environment for Simulation and Knowledge Management

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

Freedman, Vicky L.; Lansing, Carina S.; Porter, Ellen A.

2015-06-01

In scientific simulation, scientists use measured data to create numerical models, execute simulations and analyze results from advanced simulators executing on high performance computing platforms. This process usually requires a team of scientists collaborating on data collection, model creation and analysis, and on authorship of publications and data. This paper shows that scientific teams can benefit from a user environment called Akuna that permits subsurface scientists in disparate locations to collaborate on numerical modeling and analysis projects. The Akuna user environment is built on the Velo framework that provides both a rich client environment for conducting and analyzing simulations andmore » a Web environment for data sharing and annotation. Akuna is an extensible toolset that integrates with Velo, and is designed to support any type of simulator. This is achieved through data-driven user interface generation, use of a customizable knowledge management platform, and an extensible framework for simulation execution, monitoring and analysis. This paper describes how the customized Velo content management system and the Akuna toolset are used to integrate and enhance an effective collaborative research and application environment. The extensible architecture of Akuna is also described and demonstrates its usage for creation and execution of a 3D subsurface simulation.« less

LaRC design analysis report for National Transonic Facility for 304 stainless steel tunnel shell. Volume 1S: Finite difference analysis of cone/cylinder junction

NASA Technical Reports Server (NTRS)

Ramsey, J. W., Jr.; Taylor, J. T.; Wilson, J. F.; Gray, C. E., Jr.; Leatherman, A. D.; Rooker, J. R.; Allred, J. W.

1976-01-01

The results of extensive computer (finite element, finite difference and numerical integration), thermal, fatigue, and special analyses of critical portions of a large pressurized, cryogenic wind tunnel (National Transonic Facility) are presented. The computer models, loading and boundary conditions are described. Graphic capability was used to display model geometry, section properties, and stress results. A stress criteria is presented for evaluation of the results of the analyses. Thermal analyses were performed for major critical and typical areas. Fatigue analyses of the entire tunnel circuit are presented.

Energy balance and mass conservation in reduced order models of fluid flows

NASA Astrophysics Data System (ADS)

Mohebujjaman, Muhammad; Rebholz, Leo G.; Xie, Xuping; Iliescu, Traian

2017-10-01

In this paper, we investigate theoretically and computationally the conservation properties of reduced order models (ROMs) for fluid flows. Specifically, we investigate whether the ROMs satisfy the same (or similar) energy balance and mass conservation as those satisfied by the Navier-Stokes equations. All of our theoretical findings are illustrated and tested in numerical simulations of a 2D flow past a circular cylinder at a Reynolds number Re = 100. First, we investigate the ROM energy balance. We show that using the snapshot average for the centering trajectory (which is a popular treatment of nonhomogeneous boundary conditions in ROMs) yields an incorrect energy balance. Then, we propose a new approach, in which we replace the snapshot average with the Stokes extension. Theoretically, the Stokes extension produces an accurate energy balance. Numerically, the Stokes extension yields more accurate results than the standard snapshot average, especially for longer time intervals. Our second contribution centers around ROM mass conservation. We consider ROMs created using two types of finite elements: the standard Taylor-Hood (TH) element, which satisfies the mass conservation weakly, and the Scott-Vogelius (SV) element, which satisfies the mass conservation pointwise. Theoretically, the error estimates for the SV-ROM are sharper than those for the TH-ROM. Numerically, the SV-ROM yields significantly more accurate results, especially for coarser meshes and longer time intervals.

Lax-Wendroff and TVD finite volume methods for unidimensional thermomechanical numerical simulations of impacts on elastic-plastic solids

NASA Astrophysics Data System (ADS)

Heuzé, Thomas

2017-10-01

We present in this work two finite volume methods for the simulation of unidimensional impact problems, both for bars and plane waves, on elastic-plastic solid media within the small strain framework. First, an extension of Lax-Wendroff to elastic-plastic constitutive models with linear and nonlinear hardenings is presented. Second, a high order TVD method based on flux-difference splitting [1] and Superbee flux limiter [2] is coupled with an approximate elastic-plastic Riemann solver for nonlinear hardenings, and follows that of Fogarty [3] for linear ones. Thermomechanical coupling is accounted for through dissipation heating and thermal softening, and adiabatic conditions are assumed. This paper essentially focuses on one-dimensional problems since analytical solutions exist or can easily be developed. Accordingly, these two numerical methods are compared to analytical solutions and to the explicit finite element method on test cases involving discontinuous and continuous solutions. This allows to study in more details their respective performance during the loading, unloading and reloading stages. Particular emphasis is also paid to the accuracy of the computed plastic strains, some differences being found according to the numerical method used. Lax-Wendoff two-dimensional discretization of a one-dimensional problem is also appended at the end to demonstrate the extensibility of such numerical scheme to multidimensional problems.

Theory, computation, and application of exponential splines

NASA Technical Reports Server (NTRS)

Mccartin, B. J.

1981-01-01

A generalization of the semiclassical cubic spline known in the literature as the exponential spline is discussed. In actuality, the exponential spline represents a continuum of interpolants ranging from the cubic spline to the linear spline. A particular member of this family is uniquely specified by the choice of certain tension parameters. The theoretical underpinnings of the exponential spline are outlined. This development roughly parallels the existing theory for cubic splines. The primary extension lies in the ability of the exponential spline to preserve convexity and monotonicity present in the data. Next, the numerical computation of the exponential spline is discussed. A variety of numerical devices are employed to produce a stable and robust algorithm. An algorithm for the selection of tension parameters that will produce a shape preserving approximant is developed. A sequence of selected curve-fitting examples are presented which clearly demonstrate the advantages of exponential splines over cubic splines.

Blade loss transient dynamics analysis, volume 2. Task 2: Theoretical and analytical development. Task 3: Experimental verification

NASA Technical Reports Server (NTRS)

Gallardo, V. C.; Storace, A. S.; Gaffney, E. F.; Bach, L. J.; Stallone, M. J.

1981-01-01

The component element method was used to develop a transient dynamic analysis computer program which is essentially based on modal synthesis combined with a central, finite difference, numerical integration scheme. The methodology leads to a modular or building-block technique that is amenable to computer programming. To verify the analytical method, turbine engine transient response analysis (TETRA), was applied to two blade-out test vehicles that had been previously instrumented and tested. Comparison of the time dependent test data with those predicted by TETRA led to recommendations for refinement or extension of the analytical method to improve its accuracy and overcome its shortcomings. The development of working equations, their discretization, numerical solution scheme, the modular concept of engine modelling, the program logical structure and some illustrated results are discussed. The blade-loss test vehicles (rig full engine), the type of measured data, and the engine structural model are described.

Numerical Investigation of Flow Around Rectangular Cylinders with and Without Jets

NASA Technical Reports Server (NTRS)

Tiwari, S. N .; Pidugu, S. B.

1999-01-01

The problem of flow past bluff bodies was studied extensively in the past. The problem of drag reduction is very important in many high speed flow applications. Considerable work has been done in this subject area in case of circular cylinders. The present study attempts to investigate the feasibility of drag reduction on a rectangular cylinder by flow injection by flow injection from the rear stagnation region. The physical problem is modeled as two-dimensional body and numerical analysis is carried out with and without trailing jets. A commercial code is used for this purpose. Unsteady computation is performed in case of rectangular cylinders with no trailing jets where as steady state computation is performed when jet is introduced. It is found that drag can be reduced by introducing jets with small intensity in rear stagnation region of the rectangular cylinders.

Coupling of Coastal Wave Transformation and Computational Fluid Dynamics Models for Seakeeping Analysis

DTIC Science & Technology

2017-04-03

setup in terms of temporal and spatial discretization . The second component was an extension of existing depth-integrated wave models to describe...equations (Abbott, 1976). Discretization schemes involve numerical dispersion and dissipation that distort the true character of the governing equations...represent a leading-order approximation of the Boussinesq-type equations. Tam and Webb (1993) proposed a wavenumber-based discretization scheme to preserve

Numerical Solutions for a Cylindrical Laser Diffuser Flowfield

DTIC Science & Technology

1990-06-01

exhaust conditions with minimum losses to optimize performance of the system. Thus, the handling of the system of shock waves to decelerate the flow...requirement for exhaustive experimental work will result in significant savings of both time and resources. As more advanced computers are developed, the...Mach number (ɚ.5) flows. Recent interest in hypersonic engine inlet performance has resulted in an extension of the methodology to high Mach number

Evaluation of the ACEC Benchmark Suite for Real-Time Applications

DTIC Science & Technology

1990-07-23

1.0 benchmark suite waSanalyzed with respect to its measuring of Ada real-time features such as tasking, memory management, input/output, scheduling...and delay statement, Chapter 13 features , pragmas, interrupt handling, subprogram overhead, numeric computations etc. For most of the features that...meant for programming real-time systems. The ACEC benchmarks have been analyzed extensively with respect to their measuring of Ada real-time features

Molecular orientation distributions during injection molding of liquid crystalline polymers: Ex situ investigation of partially filled moldings

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

Fang, Jun; Burghardt, Wesley R.; Bubeck, Robert A.

The development of molecular orientation in thermotropic liquid crystalline polymers (TLCPs) during injection molding has been investigated using two-dimensional wide-angle X-ray scattering coordinated with numerical computations employing the Larson-Doi polydomain model. Orientation distributions were measured in 'short shot' moldings to characterize structural evolution prior to completion of mold filling, in both thin and thick rectangular plaques. Distinct orientation patterns are observed near the filling front. In particular, strong extension at the melt front results in nearly transverse molecular alignment. Far away from the flow front shear competes with extension to produce complex spatial distributions of orientation. The relative influence ofmore » shear is stronger in the thin plaque, producing orientation along the filling direction. Exploiting an analogy between the Larson-Doi model and a fiber orientation model, we test the ability of process simulation tools to predict TLCP orientation distributions during molding. Substantial discrepancies between model predictions and experimental measurements are found near the flow front in partially filled short shots, attributed to the limits of the Hele-Shaw approximation used in the computations. Much of the flow front effect is however 'washed out' by subsequent shear flow as mold filling progresses, leading to improved agreement between experiment and corresponding numerical predictions.« less

Acoustic wave propagation in continuous functionally graded plates: an extension of the Legendre polynomial approach.

PubMed

Lefebvre, J E; Zhang, V; Gazalet, J; Gryba, T; Sadaune, V

2001-09-01

The propagation of guided waves in continuous functionally graded plates is studied by using Legendre polynomials. Dispersion curves, and power and field profiles are easily obtained. Our computer program is validated by comparing our results against other calculations from the literature. Numerical results are also given for a graded semiconductor plate. It is felt that the present method could be of quite practical interest in waveguiding engineering, non-destructive testing of functionally graded materials (FGMs) to identify the best inspection strategies, or by means of a numerical inversion algorithm to determine through-thickness gradients in material parameters.

Predicting multi-wall structural response to hypervelocity impact using the hull code

NASA Technical Reports Server (NTRS)

Schonberg, William P.

1993-01-01

Previously, multi-wall structures have been analyzed extensively, primarily through experiment, as a means of increasing the meteoroid/space debris impact protection of spacecraft. As structural configurations become more varied, the number of tests required to characterize their response increases dramatically. As an alternative to experimental testing, numerical modeling of high-speed impact phenomena is often being used to predict the response of a variety of structural systems under different impact loading conditions. The results of comparing experimental tests to Hull Hydrodynamic Computer Code predictions are reported. Also, the results of a numerical parametric study of multi-wall structural response to hypervelocity cylindrical projectile impact are presented.

Self-adjusting grid methods for one-dimensional hyperbolic conservation laws

NASA Technical Reports Server (NTRS)

Harten, A.; Hyman, J. M.

1983-01-01

The automatic adjustment of a grid which follows the dynamics of the numerical solution of hyperbolic conservation laws is given. The grid motion is determined by averaging the local characteristic velocities of the equations with respect to the amplitudes of the signals. The resulting algorithm is a simple extension of many currently popular Godunov-type methods. Computer codes using one of these methods can be easily modified to add the moving mesh as an option. Numerical examples are given that illustrate the improved accuracy of Godunov's and Roe's methods on a self-adjusting mesh. Previously announced in STAR as N83-15008

Numerical modeling of exciton-polariton Bose-Einstein condensate in a microcavity

NASA Astrophysics Data System (ADS)

Voronych, Oksana; Buraczewski, Adam; Matuszewski, Michał; Stobińska, Magdalena

2017-06-01

A novel, optimized numerical method of modeling of an exciton-polariton superfluid in a semiconductor microcavity was proposed. Exciton-polaritons are spin-carrying quasiparticles formed from photons strongly coupled to excitons. They possess unique properties, interesting from the point of view of fundamental research as well as numerous potential applications. However, their numerical modeling is challenging due to the structure of nonlinear differential equations describing their evolution. In this paper, we propose to solve the equations with a modified Runge-Kutta method of 4th order, further optimized for efficient computations. The algorithms were implemented in form of C++ programs fitted for parallel environments and utilizing vector instructions. The programs form the EPCGP suite which has been used for theoretical investigation of exciton-polaritons. Catalogue identifier: AFBQ_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AFBQ_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: BSD-3 No. of lines in distributed program, including test data, etc.: 2157 No. of bytes in distributed program, including test data, etc.: 498994 Distribution format: tar.gz Programming language: C++ with OpenMP extensions (main numerical program), Python (helper scripts). Computer: Modern PC (tested on AMD and Intel processors), HP BL2x220. Operating system: Unix/Linux and Windows. Has the code been vectorized or parallelized?: Yes (OpenMP) RAM: 200 MB for single run Classification: 7, 7.7. Nature of problem: An exciton-polariton superfluid is a novel, interesting physical system allowing investigation of high temperature Bose-Einstein condensation of exciton-polaritons-quasiparticles carrying spin. They have brought a lot of attention due to their unique properties and potential applications in polariton-based optoelectronic integrated circuits. This is an out-of-equilibrium quantum system confined within a semiconductor microcavity. It is described by a set of nonlinear differential equations similar in spirit to the Gross-Pitaevskii (GP) equation, but their unique properties do not allow standard GP solving frameworks to be utilized. Finding an accurate and efficient numerical algorithm as well as development of optimized numerical software is necessary for effective theoretical investigation of exciton-polaritons. Solution method: A Runge-Kutta method of 4th order was employed to solve the set of differential equations describing exciton-polariton superfluids. The method was fitted for the exciton-polariton equations and further optimized. The C++ programs utilize OpenMP extensions and vector operations in order to fully utilize the computer hardware. Running time: 6h for 100 ps evolution, depending on the values of parameters

Numerical studies of the reversed-field pinch at high aspect ratio

NASA Astrophysics Data System (ADS)

Sätherblom, H.-E.; Drake, J. R.

1998-10-01

The reversed field pinch (RFP) configuration at an aspect ratio of 8.8 is studied numerically by means of the three-dimensional magnetohydrodynamic code DEBS [D. D. Schnack et al., J. Comput. Phys. 70, 330 (1987)]. This aspect ratio is equal to that of the Extrap T1 experiment [S. Mazur et al., Nucl. Fusion 34, 427 (1994)]. A numerical study of a RFP with this level of aspect ratio requires extensive computer achievements and has hitherto not been performed. The results are compared with previous studies [Y. L. Ho et al., Phys. Plasmas 2, 3407 (1995)] of lower aspect ratio RFP configurations. In particular, an evaluation of the extrapolation to the aspect ratio of 8.8 made in this previous study shows that the extrapolation of the spectral spread, as well as most of the other findings, are confirmed. An important exception, however, is the magnetic diffusion coefficient, which is found to decrease with aspect ratio. Furthermore, an aspect ratio dependence of the magnetic energy and of the helicity of the RFP is found.

Verification and Validation Strategy for LWRS Tools

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

Carl M. Stoots; Richard R. Schultz; Hans D. Gougar

2012-09-01

One intension of the Department of Energy (DOE) Light Water Reactor Sustainability (LWRS) program is to create advanced computational tools for safety assessment that enable more accurate representation of a nuclear power plant safety margin. These tools are to be used to study the unique issues posed by lifetime extension and relicensing of the existing operating fleet of nuclear power plants well beyond their first license extension period. The extent to which new computational models / codes such as RELAP-7 can be used for reactor licensing / relicensing activities depends mainly upon the thoroughness with which they have been verifiedmore » and validated (V&V). This document outlines the LWRS program strategy by which RELAP-7 code V&V planning is to be accomplished. From the perspective of developing and applying thermal-hydraulic and reactivity-specific models to reactor systems, the US Nuclear Regulatory Commission (NRC) Regulatory Guide 1.203 gives key guidance to numeric model developers and those tasked with the validation of numeric models. By creating Regulatory Guide 1.203 the NRC defined a framework for development, assessment, and approval of transient and accident analysis methods. As a result, this methodology is very relevant and is recommended as the path forward for RELAP-7 V&V. However, the unique issues posed by lifetime extension will require considerations in addition to those addressed in Regulatory Guide 1.203. Some of these include prioritization of which plants / designs should be studied first, coupling modern supporting experiments to the stringent needs of new high fidelity models / codes, and scaling of aging effects.« less

Integrated computational study of ultra-high heat flux cooling using cryogenic micro-solid nitrogen spray

NASA Astrophysics Data System (ADS)

Ishimoto, Jun; Oh, U.; Tan, Daisuke

2012-10-01

A new type of ultra-high heat flux cooling system using the atomized spray of cryogenic micro-solid nitrogen (SN2) particles produced by a superadiabatic two-fluid nozzle was developed and numerically investigated for application to next generation super computer processor thermal management. The fundamental characteristics of heat transfer and cooling performance of micro-solid nitrogen particulate spray impinging on a heated substrate were numerically investigated and experimentally measured by a new type of integrated computational-experimental technique. The employed Computational Fluid Dynamics (CFD) analysis based on the Euler-Lagrange model is focused on the cryogenic spray behavior of atomized particulate micro-solid nitrogen and also on its ultra-high heat flux cooling characteristics. Based on the numerically predicted performance, a new type of cryogenic spray cooling technique for application to a ultra-high heat power density device was developed. In the present integrated computation, it is clarified that the cryogenic micro-solid spray cooling characteristics are affected by several factors of the heat transfer process of micro-solid spray which impinges on heated surface as well as by atomization behavior of micro-solid particles. When micro-SN2 spraying cooling was used, an ultra-high cooling heat flux level was achieved during operation, a better cooling performance than that with liquid nitrogen (LN2) spray cooling. As micro-SN2 cooling has the advantage of direct latent heat transport which avoids the film boiling state, the ultra-short time scale heat transfer in a thin boundary layer is more possible than in LN2 spray. The present numerical prediction of the micro-SN2 spray cooling heat flux profile can reasonably reproduce the measurement results of cooling wall heat flux profiles. The application of micro-solid spray as a refrigerant for next generation computer processors is anticipated, and its ultra-high heat flux technology is expected to result in an extensive improvement in the effective cooling performance of large scale supercomputer systems.

Interaction Entropy: A New Paradigm for Highly Efficient and Reliable Computation of Protein-Ligand Binding Free Energy.

PubMed

Duan, Lili; Liu, Xiao; Zhang, John Z H

2016-05-04

Efficient and reliable calculation of protein-ligand binding free energy is a grand challenge in computational biology and is of critical importance in drug design and many other molecular recognition problems. The main challenge lies in the calculation of entropic contribution to protein-ligand binding or interaction systems. In this report, we present a new interaction entropy method which is theoretically rigorous, computationally efficient, and numerically reliable for calculating entropic contribution to free energy in protein-ligand binding and other interaction processes. Drastically different from the widely employed but extremely expensive normal mode method for calculating entropy change in protein-ligand binding, the new method calculates the entropic component (interaction entropy or -TΔS) of the binding free energy directly from molecular dynamics simulation without any extra computational cost. Extensive study of over a dozen randomly selected protein-ligand binding systems demonstrated that this interaction entropy method is both computationally efficient and numerically reliable and is vastly superior to the standard normal mode approach. This interaction entropy paradigm introduces a novel and intuitive conceptual understanding of the entropic effect in protein-ligand binding and other general interaction systems as well as a practical method for highly efficient calculation of this effect.

Parallelized modelling and solution scheme for hierarchically scaled simulations

NASA Technical Reports Server (NTRS)

Padovan, Joe

1995-01-01

This two-part paper presents the results of a benchmarked analytical-numerical investigation into the operational characteristics of a unified parallel processing strategy for implicit fluid mechanics formulations. This hierarchical poly tree (HPT) strategy is based on multilevel substructural decomposition. The Tree morphology is chosen to minimize memory, communications and computational effort. The methodology is general enough to apply to existing finite difference (FD), finite element (FEM), finite volume (FV) or spectral element (SE) based computer programs without an extensive rewrite of code. In addition to finding large reductions in memory, communications, and computational effort associated with a parallel computing environment, substantial reductions are generated in the sequential mode of application. Such improvements grow with increasing problem size. Along with a theoretical development of general 2-D and 3-D HPT, several techniques for expanding the problem size that the current generation of computers are capable of solving, are presented and discussed. Among these techniques are several interpolative reduction methods. It was found that by combining several of these techniques that a relatively small interpolative reduction resulted in substantial performance gains. Several other unique features/benefits are discussed in this paper. Along with Part 1's theoretical development, Part 2 presents a numerical approach to the HPT along with four prototype CFD applications. These demonstrate the potential of the HPT strategy.

Modal analysis and dynamic stresses for acoustically excited shuttle insulation tiles

NASA Technical Reports Server (NTRS)

Ojalvo, I. U.; Ogilvie, P. L.

1975-01-01

Improvements and extensions to the RESIST computer program developed for determining the normalized modal stress response of shuttle insulation tiles are described. The new version of RESIST can accommodate primary structure panels with closed-cell stringers, in addition to the capability for treating open-cell stringers. In addition, the present version of RESIST numerically solves vibration problems several times faster than its predecessor. A new digital computer program, titled ARREST (Acoustic Response of Reusable Shuttle Tiles) is also described. Starting with modal information contained on output tapes from RESIST computer runs, ARREST determines RMS stresses, deflections and accelerations of shuttle panels with reusable surface insulation tiles. Both programs are applicable to stringer stiffened structural panels with or without reusable surface insulation titles.

A charge- and energy-conserving implicit, electrostatic particle-in-cell algorithm on mapped computational meshes

NASA Astrophysics Data System (ADS)

Chacón, L.; Chen, G.; Barnes, D. C.

2013-01-01

We describe the extension of the recent charge- and energy-conserving one-dimensional electrostatic particle-in-cell algorithm in Ref. [G. Chen, L. Chacón, D.C. Barnes, An energy- and charge-conserving, implicit electrostatic particle-in-cell algorithm, Journal of Computational Physics 230 (2011) 7018-7036] to mapped (body-fitted) computational meshes. The approach maintains exact charge and energy conservation properties. Key to the algorithm is a hybrid push, where particle positions are updated in logical space, while velocities are updated in physical space. The effectiveness of the approach is demonstrated with a challenging numerical test case, the ion acoustic shock wave. The generalization of the approach to multiple dimensions is outlined.

Predicting chaos for infinite dimensional dynamical systems: The Kuramoto-Sivashinsky equation, a case study

NASA Technical Reports Server (NTRS)

Smyrlis, Yiorgos S.; Papageorgiou, Demetrios T.

1991-01-01

The results of extensive computations are presented in order to accurately characterize transitions to chaos for the Kuramoto-Sivashinsky equation. In particular, the oscillatory dynamics in a window that supports a complete sequence of period doubling bifurcations preceding chaos is followed. As many as thirteen period doublings are followed and used to compute the Feigenbaum number for the cascade and so enable, for the first time, an accurate numerical evaluation of the theory of universal behavior of nonlinear systems, for an infinite dimensional dynamical system. Furthermore, the dynamics at the threshold of chaos exhibit a fractal behavior which is demonstrated and used to compute a universal scaling factor that enables the self-similar continuation of the solution into a chaotic regime.

Enabling fast, stable and accurate peridynamic computations using multi-time-step integration

DOE PAGES

Lindsay, P.; Parks, M. L.; Prakash, A.

2016-04-13

Peridynamics is a nonlocal extension of classical continuum mechanics that is well-suited for solving problems with discontinuities such as cracks. This paper extends the peridynamic formulation to decompose a problem domain into a number of smaller overlapping subdomains and to enable the use of different time steps in different subdomains. This approach allows regions of interest to be isolated and solved at a small time step for increased accuracy while the rest of the problem domain can be solved at a larger time step for greater computational efficiency. Lastly, performance of the proposed method in terms of stability, accuracy, andmore » computational cost is examined and several numerical examples are presented to corroborate the findings.« less

3-D modeling of ductile tearing using finite elements: Computational aspects and techniques

NASA Astrophysics Data System (ADS)

Gullerud, Arne Stewart

This research focuses on the development and application of computational tools to perform large-scale, 3-D modeling of ductile tearing in engineering components under quasi-static to mild loading rates. Two standard models for ductile tearing---the computational cell methodology and crack growth controlled by the crack tip opening angle (CTOA)---are described and their 3-D implementations are explored. For the computational cell methodology, quantification of the effects of several numerical issues---computational load step size, procedures for force release after cell deletion, and the porosity for cell deletion---enables construction of computational algorithms to remove the dependence of predicted crack growth on these issues. This work also describes two extensions of the CTOA approach into 3-D: a general 3-D method and a constant front technique. Analyses compare the characteristics of the extensions, and a validation study explores the ability of the constant front extension to predict crack growth in thin aluminum test specimens over a range of specimen geometries, absolutes sizes, and levels of out-of-plane constraint. To provide a computational framework suitable for the solution of these problems, this work also describes the parallel implementation of a nonlinear, implicit finite element code. The implementation employs an explicit message-passing approach using the MPI standard to maintain portability, a domain decomposition of element data to provide parallel execution, and a master-worker organization of the computational processes to enhance future extensibility. A linear preconditioned conjugate gradient (LPCG) solver serves as the core of the solution process. The parallel LPCG solver utilizes an element-by-element (EBE) structure of the computations to permit a dual-level decomposition of the element data: domain decomposition of the mesh provides efficient coarse-grain parallel execution, while decomposition of the domains into blocks of similar elements (same type, constitutive model, etc.) provides fine-grain parallel computation on each processor. A major focus of the LPCG solver is a new implementation of the Hughes-Winget element-by-element (HW) preconditioner. The implementation employs a weighted dependency graph combined with a new coloring algorithm to provide load-balanced scheduling for the preconditioner and overlapped communication/computation. This approach enables efficient parallel application of the HW preconditioner for arbitrary unstructured meshes.

PHD TUTORIAL: A complete numerical approach to electron hydrogen collisions

NASA Astrophysics Data System (ADS)

Bartlett, Philip L.

2006-11-01

This tutorial presents an extensive computational study of electron-impact scattering and ionization of atomic hydrogen and hydrogenic ions, through the solution of the non-relativistic Schrödinger equation in coordinate space using propagating exterior complex scaling (PECS). It details the complete numerical and computational development of the PECS method, which enables highly computationally-efficient solution of these collision systems. Benchmark results are presented for a complete range of electron-hydrogen collisions, including discrete elastic and inelastic scattering both below and above the ionization threshold energy, very low-energy ionizing collisions through to moderately high-energy ionizing collisions, ground-state and excited-state targets and charged hydrogenic targets with Z <= 4. Total ionization cross sections through to fully differential cross sections, both in-plane and out-of-plane, are given and are found to be in excellent accord with other state-of-the-art methods and measurements, where available. We also review our recent confirmation (Bartlett and Stelbovics 2004 Phys. Rev. Lett. 93 233201) of the Wannier and related threshold laws for e-H collisions.

Adaptive numerical algorithms to simulate the dynamical Casimir effect in a closed cavity with different boundary conditions

NASA Astrophysics Data System (ADS)

Villar, Paula I.; Soba, Alejandro

2017-07-01

We present an alternative numerical approach to compute the number of particles created inside a cavity due to time-dependent boundary conditions. The physical model consists of a rectangular cavity, where a wall always remains still while the other wall of the cavity presents a smooth movement in one direction. The method relies on the setting of the boundary conditions (Dirichlet and Neumann) and the following resolution of the corresponding equations of modes. By a further comparison between the ground state before and after the movement of the cavity wall, we finally compute the number of particles created. To demonstrate the method, we investigate the creation of particle production in vibrating cavities, confirming previously known results in the appropriate limits. Within this approach, the dynamical Casimir effect can be investigated, making it possible to study a variety of scenarios where no analytical results are known. Of special interest is, of course, the realistic case of the electromagnetic field in a three-dimensional cavity, with transverse electric (TE)-mode and transverse magnetic (TM)-mode photon production. Furthermore, with our approach we are able to calculate numerically the particle creation in a tuneable resonant superconducting cavity by the use of the generalized Robin boundary condition. We compare the numerical results with analytical predictions as well as a different numerical approach. Its extension to three dimensions is also straightforward.

High-order conservative finite difference GLM-MHD schemes for cell-centered MHD

NASA Astrophysics Data System (ADS)

Mignone, Andrea; Tzeferacos, Petros; Bodo, Gianluigi

2010-08-01

We present and compare third- as well as fifth-order accurate finite difference schemes for the numerical solution of the compressible ideal MHD equations in multiple spatial dimensions. The selected methods lean on four different reconstruction techniques based on recently improved versions of the weighted essentially non-oscillatory (WENO) schemes, monotonicity preserving (MP) schemes as well as slope-limited polynomial reconstruction. The proposed numerical methods are highly accurate in smooth regions of the flow, avoid loss of accuracy in proximity of smooth extrema and provide sharp non-oscillatory transitions at discontinuities. We suggest a numerical formulation based on a cell-centered approach where all of the primary flow variables are discretized at the zone center. The divergence-free condition is enforced by augmenting the MHD equations with a generalized Lagrange multiplier yielding a mixed hyperbolic/parabolic correction, as in Dedner et al. [J. Comput. Phys. 175 (2002) 645-673]. The resulting family of schemes is robust, cost-effective and straightforward to implement. Compared to previous existing approaches, it completely avoids the CPU intensive workload associated with an elliptic divergence cleaning step and the additional complexities required by staggered mesh algorithms. Extensive numerical testing demonstrate the robustness and reliability of the proposed framework for computations involving both smooth and discontinuous features.

Flame-Generated Vorticity Production in Premixed Flame-Vortex Interactions

NASA Technical Reports Server (NTRS)

Patnaik, G.; Kailasanath, K.

2003-01-01

In this study, we use detailed time-dependent, multi-dimensional numerical simulations to investigate the relative importance of the processes leading to FGV in flame-vortex interactions in normal gravity and microgravity and to determine if the production of vorticity in flames in gravity is the same as that in zero gravity except for the contribution of the gravity term. The numerical simulations will be performed using the computational model developed at NRL, FLAME3D. FLAME3D is a parallel, multi-dimensional (either two- or three-dimensional) flame model based on FLIC2D, which has been used extensively to study the structure and stability of premixed hydrogen and methane flames.

Lax-Friedrichs sweeping scheme for static Hamilton-Jacobi equations

NASA Astrophysics Data System (ADS)

Kao, Chiu Yen; Osher, Stanley; Qian, Jianliang

2004-05-01

We propose a simple, fast sweeping method based on the Lax-Friedrichs monotone numerical Hamiltonian to approximate viscosity solutions of arbitrary static Hamilton-Jacobi equations in any number of spatial dimensions. By using the Lax-Friedrichs numerical Hamiltonian, we can easily obtain the solution at a specific grid point in terms of its neighbors, so that a Gauss-Seidel type nonlinear iterative method can be utilized. Furthermore, by incorporating a group-wise causality principle into the Gauss-Seidel iteration by following a finite group of characteristics, we have an easy-to-implement, sweeping-type, and fast convergent numerical method. However, unlike other methods based on the Godunov numerical Hamiltonian, some computational boundary conditions are needed in the implementation. We give a simple recipe which enforces a version of discrete min-max principle. Some convergence analysis is done for the one-dimensional eikonal equation. Extensive 2-D and 3-D numerical examples illustrate the efficiency and accuracy of the new approach. To our knowledge, this is the first fast numerical method based on discretizing the Hamilton-Jacobi equation directly without assuming convexity and/or homogeneity of the Hamiltonian.

Final Report for''Numerical Methods and Studies of High-Speed Reactive and Non-Reactive Flows''

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

Schwendeman, D W

2002-11-20

The work carried out under this subcontract involved the development and use of an adaptive numerical method for the accurate calculation of high-speed reactive flows on overlapping grids. The flow is modeled by the reactive Euler equations with an assumed equation of state and with various reaction rate models. A numerical method has been developed to solve the nonlinear hyperbolic partial differential equations in the model. The method uses an unsplit, shock-capturing scheme, and uses a Godunov-type scheme to compute fluxes and a Runge-Kutta error control scheme to compute the source term modeling the chemical reactions. An adaptive mesh refinementmore » (AMR) scheme has been implemented in order to locally increase grid resolution. The numerical method uses composite overlapping grids to handle complex flow geometries. The code is part of the ''Overture-OverBlown'' framework of object-oriented codes [1, 2], and the development has occurred in close collaboration with Bill Henshaw and David Brown, and other members of the Overture team within CASC. During the period of this subcontract, a number of tasks were accomplished, including: (1) an extension of the numerical method to handle ''ignition and grow'' reaction models and a JWL equations of state; (2) an improvement in the efficiency of the AMR scheme and the error estimator; (3) an addition of a scheme of numerical dissipation designed to suppress numerical oscillations/instabilities near expanding detonations and along grid overlaps; and (4) an exploration of the evolution to detonation in an annulus and of detonation failure in an expanding channel.« less

Evaluation of the Ross fast solution of Richards’ equation in unfavourable conditions for standard finite element methods

NASA Astrophysics Data System (ADS)

Crevoisier, David; Chanzy, André; Voltz, Marc

2009-06-01

Ross [Ross PJ. Modeling soil water and solute transport - fast, simplified numerical solutions. Agron J 2003;95:1352-61] developed a fast, simplified method for solving Richards' equation. This non-iterative 1D approach, using Brooks and Corey [Brooks RH, Corey AT. Hydraulic properties of porous media. Hydrol. papers, Colorado St. Univ., Fort Collins; 1964] hydraulic functions, allows a significant reduction in computing time while maintaining the accuracy of the results. The first aim of this work is to confirm these results in a more extensive set of problems, including those that would lead to serious numerical difficulties for the standard numerical method. The second aim is to validate a generalisation of the Ross method to other mathematical representations of hydraulic functions. The Ross method is compared with the standard finite element model, Hydrus-1D [Simunek J, Sejna M, Van Genuchten MTh. The HYDRUS-1D and HYDRUS-2D codes for estimating unsaturated soil hydraulic and solutes transport parameters. Agron Abstr 357; 1999]. Computing time, accuracy of results and robustness of numerical schemes are monitored in 1D simulations involving different types of homogeneous soils, grids and hydrological conditions. The Ross method associated with modified Van Genuchten hydraulic functions [Vogel T, Cislerova M. On the reliability of unsaturated hydraulic conductivity calculated from the moisture retention curve. Transport Porous Media 1988;3:1-15] proves in every tested scenario to be more robust numerically, and the compromise of computing time/accuracy is seen to be particularly improved on coarse grids. Ross method run from 1.25 to 14 times faster than Hydrus-1D.

Domain decomposition for aerodynamic and aeroacoustic analyses, and optimization

NASA Technical Reports Server (NTRS)

Baysal, Oktay

1995-01-01

The overarching theme was the domain decomposition, which intended to improve the numerical solution technique for the partial differential equations at hand; in the present study, those that governed either the fluid flow, or the aeroacoustic wave propagation, or the sensitivity analysis for a gradient-based optimization. The role of the domain decomposition extended beyond the original impetus of discretizing geometrical complex regions or writing modular software for distributed-hardware computers. It induced function-space decompositions and operator decompositions that offered the valuable property of near independence of operator evaluation tasks. The objectives have gravitated about the extensions and implementations of either the previously developed or concurrently being developed methodologies: (1) aerodynamic sensitivity analysis with domain decomposition (SADD); (2) computational aeroacoustics of cavities; and (3) dynamic, multibody computational fluid dynamics using unstructured meshes.

Convergence of finite difference transient response computations for thin shells.

NASA Technical Reports Server (NTRS)

Sobel, L. H.; Geers, T. L.

1973-01-01

Numerical studies pertaining to the limits of applicability of the finite difference method in the solution of linear transient shell response problems are performed, and a computational procedure for the use of the method is recommended. It is found that the only inherent limitation of the finite difference method is its inability to reproduce accurately response discontinuities. This is not a serious limitation in view of natural constraints imposed by the extension of Saint Venant's principle to transient response problems. It is also found that the short wavelength limitations of thin shell (Bernoulli-Euler) theory create significant convergence difficulties in computed response to certain types of transverse excitations. These difficulties may be overcome, however, through proper selection of finite difference mesh dimensions and temporal smoothing of the excitation.

Numerically stable, scalable formulas for parallel and online computation of higher-order multivariate central moments with arbitrary weights

DOE PAGES

Pebay, Philippe; Terriberry, Timothy B.; Kolla, Hemanth; ...

2016-03-29

Formulas for incremental or parallel computation of second order central moments have long been known, and recent extensions of these formulas to univariate and multivariate moments of arbitrary order have been developed. Such formulas are of key importance in scenarios where incremental results are required and in parallel and distributed systems where communication costs are high. We survey these recent results, and improve them with arbitrary-order, numerically stable one-pass formulas which we further extend with weighted and compound variants. We also develop a generalized correction factor for standard two-pass algorithms that enables the maintenance of accuracy over nearly the fullmore » representable range of the input, avoiding the need for extended-precision arithmetic. We then empirically examine algorithm correctness for pairwise update formulas up to order four as well as condition number and relative error bounds for eight different central moment formulas, each up to degree six, to address the trade-offs between numerical accuracy and speed of the various algorithms. Finally, we demonstrate the use of the most elaborate among the above mentioned formulas, with the utilization of the compound moments for a practical large-scale scientific application.« less

Unified solver for fluid dynamics and aeroacoustics in isentropic gas flows

NASA Astrophysics Data System (ADS)

Pont, Arnau; Codina, Ramon; Baiges, Joan; Guasch, Oriol

2018-06-01

The high computational cost of solving numerically the fully compressible Navier-Stokes equations, together with the poor performance of most numerical formulations for compressible flow in the low Mach number regime, has led to the necessity for more affordable numerical models for Computational Aeroacoustics. For low Mach number subsonic flows with neither shocks nor thermal coupling, both flow dynamics and wave propagation can be considered isentropic. Therefore, a joint isentropic formulation for flow and aeroacoustics can be devised which avoids the need for segregating flow and acoustic scales. Under these assumptions density and pressure fluctuations are directly proportional, and a two field velocity-pressure compressible formulation can be derived as an extension of an incompressible solver. Moreover, the linear system of equations which arises from the proposed isentropic formulation is better conditioned than the homologous incompressible one due to the presence of a pressure time derivative. Similarly to other compressible formulations the prescription of boundary conditions will have to deal with the backscattering of acoustic waves. In this sense, a separated imposition of boundary conditions for flow and acoustic scales which allows the evacuation of waves through Dirichlet boundaries without using any tailored damping model will be presented.

Recent advances in computational-analytical integral transforms for convection-diffusion problems

NASA Astrophysics Data System (ADS)

Cotta, R. M.; Naveira-Cotta, C. P.; Knupp, D. C.; Zotin, J. L. Z.; Pontes, P. C.; Almeida, A. P.

2017-10-01

An unifying overview of the Generalized Integral Transform Technique (GITT) as a computational-analytical approach for solving convection-diffusion problems is presented. This work is aimed at bringing together some of the most recent developments on both accuracy and convergence improvements on this well-established hybrid numerical-analytical methodology for partial differential equations. Special emphasis is given to novel algorithm implementations, all directly connected to enhancing the eigenfunction expansion basis, such as a single domain reformulation strategy for handling complex geometries, an integral balance scheme in dealing with multiscale problems, the adoption of convective eigenvalue problems in formulations with significant convection effects, and the direct integral transformation of nonlinear convection-diffusion problems based on nonlinear eigenvalue problems. Then, selected examples are presented that illustrate the improvement achieved in each class of extension, in terms of convergence acceleration and accuracy gain, which are related to conjugated heat transfer in complex or multiscale microchannel-substrate geometries, multidimensional Burgers equation model, and diffusive metal extraction through polymeric hollow fiber membranes. Numerical results are reported for each application and, where appropriate, critically compared against the traditional GITT scheme without convergence enhancement schemes and commercial or dedicated purely numerical approaches.

Comparison of Several Numerical Methods for Simulation of Compressible Shear Layers

NASA Technical Reports Server (NTRS)

Kennedy, Christopher A.; Carpenter, Mark H.

1997-01-01

An investigation is conducted on several numerical schemes for use in the computation of two-dimensional, spatially evolving, laminar variable-density compressible shear layers. Schemes with various temporal accuracies and arbitrary spatial accuracy for both inviscid and viscous terms are presented and analyzed. All integration schemes use explicit or compact finite-difference derivative operators. Three classes of schemes are considered: an extension of MacCormack's original second-order temporally accurate method, a new third-order variant of the schemes proposed by Rusanov and by Kutier, Lomax, and Warming (RKLW), and third- and fourth-order Runge-Kutta schemes. In each scheme, stability and formal accuracy are considered for the interior operators on the convection-diffusion equation U(sub t) + aU(sub x) = alpha U(sub xx). Accuracy is also verified on the nonlinear problem, U(sub t) + F(sub x) = 0. Numerical treatments of various orders of accuracy are chosen and evaluated for asymptotic stability. Formally accurate boundary conditions are derived for several sixth- and eighth-order central-difference schemes. Damping of high wave-number data is accomplished with explicit filters of arbitrary order. Several schemes are used to compute variable-density compressible shear layers, where regions of large gradients exist.

Numerical study of water mitigation effects on blast wave

NASA Astrophysics Data System (ADS)

Cheng, M.; Hung, K. C.; Chong, O. Y.

2005-11-01

The mitigating effect of a water wall on the generation and propagation of blast waves of a nearby explosive has been investigated using a numerical approach. A multimaterial Eulerian finite element technique is used to study the influence of the design parameters, such as the water-to-explosive weight ratio, the water wall thickness, the air-gap and the cover area ratio of water on the effectiveness of the water mitigation concept. In the computational model, the detonation gases are modelled with the standard Jones Wilkins Lee (JWL) equation of state. Water, on the other hand, is treated as a compressible fluid with the Mie Gruneisen equation of state model. The validity of the computational model is checked against a limited amount of available experimental data, and the influence of mesh sizes on the convergence of results is also discussed. From the results of the extensive numerical experiments, it is deduced that firstly, the presence of an air-gap reduces the effectiveness of the water mitigator. Secondly, the higher the water-to-explosive weight ratio, the more significant is the reduction in peak pressure of the explosion. Typically, water-to-explosive weight ratios in the range of 1 3 are found to be most practical.

A new hybrid numerical scheme for simulating fault ruptures with near-fault bulk inhomogeneities

NASA Astrophysics Data System (ADS)

Hajarolasvadi, S.; Elbanna, A. E.

2017-12-01

The Finite Difference (FD) and Boundary Integral (BI) Method have been extensively used to model spontaneously propagating shear cracks, which can serve as a useful idealization of natural earthquakes. While FD suffers from artificial dispersion and numerical dissipation and has a large computational cost as it requires the discretization of the whole volume of interest, it can be applied to a wider range of problems including ones with bulk nonlinearities and heterogeneities. On the other hand, in the BI method, the numerical consideration is confined to the crack path only, with the elastodynamic response of the bulk expressed in terms of integral relations between displacement discontinuities and tractions along the crack. Therefore, this method - its spectral boundary integral (SBI) formulation in particular - is much faster and more computationally efficient than other bulk methods such as FD. However, its application is restricted to linear elastic bulk and planar faults. This work proposes a novel hybrid numerical scheme that combines FD and the SBI to enable treating fault zone nonlinearities and heterogeneities with unprecedented resolution and in a more computationally efficient way. The main idea of the method is to enclose the inhomgeneities in a virtual strip that is introduced for computational purposes only. This strip is then discretized using a volume-based numerical method, chosen here to be the finite difference method while the virtual boundaries of the strip are handled using the SBI formulation that represents the two elastic half spaces outside the strip. Modeling the elastodynamic response in these two halfspaces needs to be carried out by an Independent Spectral Formulation before joining them to the strip with the appropriate boundary conditions. Dirichlet and Neumann boundary conditions are imposed on the strip and the two half-spaces, respectively, at each time step to propagate the solution forward. We demonstrate the validity of the approach using two examples for dynamic rupture propagation: one in the presence of a low velocity layer and the other in which off-fault plasticity is permitted. This approach is more computationally efficient than pure FD and expands the range of applications of SBI beyond the current state of the art.

Model reduction of the numerical analysis of Low Impact Developments techniques

NASA Astrophysics Data System (ADS)

Brunetti, Giuseppe; Šimůnek, Jirka; Wöhling, Thomas; Piro, Patrizia

2017-04-01

Mechanistic models have proven to be accurate and reliable tools for the numerical analysis of the hydrological behavior of Low Impact Development (LIDs) techniques. However, their widespread adoption is limited by their complexity and computational cost. Recent studies have tried to address this issue by investigating the application of new techniques, such as surrogate-based modeling. However, current results are still limited and fragmented. One of such approaches, the Model Order Reduction (MOR) technique, can represent a valuable tool for reducing the computational complexity of a numerical problems by computing an approximation of the original model. While this technique has been extensively used in water-related problems, no studies have evaluated its use in LIDs modeling. Thus, the main aim of this study is to apply the MOR technique for the development of a reduced order model (ROM) for the numerical analysis of the hydrologic behavior of LIDs, in particular green roofs. The model should be able to correctly reproduce all the hydrological processes of a green roof while reducing the computational cost. The proposed model decouples the subsurface water dynamic of a green roof in a) one-dimensional (1D) vertical flow through a green roof itself and b) one-dimensional saturated lateral flow along the impervious rooftop. The green roof is horizontally discretized in N elements. Each element represents a vertical domain, which can have different properties or boundary conditions. The 1D Richards equation is used to simulate flow in the substrate and drainage layers. Simulated outflow from the vertical domain is used as a recharge term for saturated lateral flow, which is described using the kinematic wave approximation of the Boussinesq equation. The proposed model has been compared with the mechanistic model HYDRUS-2D, which numerically solves the Richards equation for the whole domain. The HYDRUS-1D code has been used for the description of vertical flow, while a Finite Volume Scheme has been adopted for lateral flow. Two scenarios involving flat and steep green roofs were analyzed. Results confirmed the accuracy of the reduced order model, which was able to reproduce both subsurface outflow and the moisture distribution in the green roof, significantly reducing the computational cost.

Self-consistent modeling of the dynamic evolution of magnetic island growth in the presence of stabilizing electron-cyclotron current drive

NASA Astrophysics Data System (ADS)

Chatziantonaki, Ioanna; Tsironis, Christos; Isliker, Heinz; Vlahos, Loukas

2013-11-01

The most promising technique for the control of neoclassical tearing modes in tokamak experiments is the compensation of the missing bootstrap current with an electron-cyclotron current drive (ECCD). In this frame, the dynamics of magnetic islands has been studied extensively in terms of the modified Rutherford equation (MRE), including the presence of a current drive, either analytically described or computed by numerical methods. In this article, a self-consistent model for the dynamic evolution of the magnetic island and the driven current is derived, which takes into account the island's magnetic topology and its effect on the current drive. The model combines the MRE with a ray-tracing approach to electron-cyclotron wave-propagation and absorption. Numerical results exhibit a decrease in the time required for complete stabilization with respect to the conventional computation (not taking into account the island geometry), which increases by increasing the initial island size and radial misalignment of the deposition.

Direct Numerical Simulation of Pebble Bed Flows: Database Development and Investigation of Low-Frequency Temporal Instabilities

DOE PAGES

Fick, Lambert H.; Merzari, Elia; Hassan, Yassin A.

2017-02-20

Computational analyses of fluid flow through packed pebble bed domains using the Reynolds-averaged NavierStokes framework have had limited success in the past. Because of a lack of high-fidelity experimental or computational data, optimization of Reynolds-averaged closure models for these geometries has not been extensively developed. In the present study, direct numerical simulation was employed to develop a high-fidelity database that can be used for optimizing Reynolds-averaged closure models for pebble bed flows. A face-centered cubic domain with periodic boundaries was used. Flow was simulated at a Reynolds number of 9308 and cross-verified by using available quasi-DNS data. During the simulations,more » low-frequency instability modes were observed that affected the stationary solution. Furthermore, these instabilities were investigated by using the method of proper orthogonal decomposition, and a correlation was found between the time-dependent asymmetry of the averaged velocity profile data and the behavior of the highest energy eigenmodes.« less

Triangular covariance factorizations for. Ph.D. Thesis. - Calif. Univ.

NASA Technical Reports Server (NTRS)

Thornton, C. L.

1976-01-01

An improved computational form of the discrete Kalman filter is derived using an upper triangular factorization of the error covariance matrix. The covariance P is factored such that P = UDUT where U is unit upper triangular and D is diagonal. Recursions are developed for propagating the U-D covariance factors together with the corresponding state estimate. The resulting algorithm, referred to as the U-D filter, combines the superior numerical precision of square root filtering techniques with an efficiency comparable to that of Kalman's original formula. Moreover, this method is easily implemented and involves no more computer storage than the Kalman algorithm. These characteristics make the U-D method an attractive realtime filtering technique. A new covariance error analysis technique is obtained from an extension of the U-D filter equations. This evaluation method is flexible and efficient and may provide significantly improved numerical results. Cost comparisons show that for a large class of problems the U-D evaluation algorithm is noticeably less expensive than conventional error analysis methods.

Numerical analysis of hypersonic turbulent film cooling flows

NASA Technical Reports Server (NTRS)

Chen, Y. S.; Chen, C. P.; Wei, H.

1992-01-01

As a building block, numerical capabilities for predicting heat flux and turbulent flowfields of hypersonic vehicles require extensive model validations. Computational procedures for calculating turbulent flows and heat fluxes for supersonic film cooling with parallel slot injections are described in this study. Two injectant mass flow rates with matched and unmatched pressure conditions using the database of Holden et al. (1990) are considered. To avoid uncertainties associated with the boundary conditions in testing turbulence models, detailed three-dimensional flowfields of the injection nozzle were calculated. Two computational fluid dynamics codes, GASP and FDNS, with the algebraic Baldwin-Lomax and k-epsilon models with compressibility corrections were used. It was found that the B-L model which resolves near-wall viscous sublayer is very sensitive to the inlet boundary conditions at the nozzle exit face. The k-epsilon models with improved wall functions are less sensitive to the inlet boundary conditions. The testings show that compressibility corrections are necessary for the k-epsilon model to realistically predict the heat fluxes of the hypersonic film cooling problems.

Faster PET reconstruction with a stochastic primal-dual hybrid gradient method

NASA Astrophysics Data System (ADS)

Ehrhardt, Matthias J.; Markiewicz, Pawel; Chambolle, Antonin; Richtárik, Peter; Schott, Jonathan; Schönlieb, Carola-Bibiane

2017-08-01

Image reconstruction in positron emission tomography (PET) is computationally challenging due to Poisson noise, constraints and potentially non-smooth priors-let alone the sheer size of the problem. An algorithm that can cope well with the first three of the aforementioned challenges is the primal-dual hybrid gradient algorithm (PDHG) studied by Chambolle and Pock in 2011. However, PDHG updates all variables in parallel and is therefore computationally demanding on the large problem sizes encountered with modern PET scanners where the number of dual variables easily exceeds 100 million. In this work, we numerically study the usage of SPDHG-a stochastic extension of PDHG-but is still guaranteed to converge to a solution of the deterministic optimization problem with similar rates as PDHG. Numerical results on a clinical data set show that by introducing randomization into PDHG, similar results as the deterministic algorithm can be achieved using only around 10 % of operator evaluations. Thus, making significant progress towards the feasibility of sophisticated mathematical models in a clinical setting.

Direct Numerical Simulation of Pebble Bed Flows: Database Development and Investigation of Low-Frequency Temporal Instabilities

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

Fick, Lambert H.; Merzari, Elia; Hassan, Yassin A.

Computational analyses of fluid flow through packed pebble bed domains using the Reynolds-averaged NavierStokes framework have had limited success in the past. Because of a lack of high-fidelity experimental or computational data, optimization of Reynolds-averaged closure models for these geometries has not been extensively developed. In the present study, direct numerical simulation was employed to develop a high-fidelity database that can be used for optimizing Reynolds-averaged closure models for pebble bed flows. A face-centered cubic domain with periodic boundaries was used. Flow was simulated at a Reynolds number of 9308 and cross-verified by using available quasi-DNS data. During the simulations,more » low-frequency instability modes were observed that affected the stationary solution. Furthermore, these instabilities were investigated by using the method of proper orthogonal decomposition, and a correlation was found between the time-dependent asymmetry of the averaged velocity profile data and the behavior of the highest energy eigenmodes.« less

Computing Thermal Effects of Cavitation in Cryogenic Liquids

NASA Technical Reports Server (NTRS)

Hosangadi, Ashvin; Ahuja, Vineet; Dash, Sanford M.

2005-01-01

A computer program implements a numerical model of thermal effects of cavitation in cryogenic fluids. The model and program were developed for use in designing and predicting the performances of turbopumps for cryogenic fluids. Prior numerical models used for this purpose do not account for either the variability of properties of cryogenic fluids or the thermal effects (especially, evaporative cooling) involved in cavitation. It is important to account for both because in a cryogenic fluid, the thermal effects of cavitation are substantial, and the cavitation characteristics are altered by coupling between the variable fluid properties and the phase changes involved in cavitation. The present model accounts for both thermal effects and variability of properties by incorporating a generalized representation of the properties of cryogenic fluids into a generalized compressible-fluid formulation for a cavitating pump. The model has been extensively validated for liquid nitrogen and liquid hydrogen. Using the available data on the properties of these fluids, the model has been shown to predict accurate temperature-depression values.

Experimental and Numerical Studies on Development of Fracture Process Zone (FPZ) in Rocks under Cyclic and Static Loadings

NASA Astrophysics Data System (ADS)

Ghamgosar, M.; Erarslan, N.

2016-03-01

The development of fracture process zones (FPZ) in the Cracked Chevron Notched Brazilian Disc (CCNBD) monsonite and Brisbane tuff specimens was investigated to evaluate the mechanical behaviour of brittle rocks under static and various cyclic loadings. An FPZ is a region that involves different types of damage around the pre-existing and/or stress-induced crack tips in engineering materials. This highly damaged area includes micro- and meso-cracks, which emerge prior to the main fracture growth or extension and ultimately coalescence to macrofractures, leading to the failure. The experiments and numerical simulations were designed for this study to investigate the following features of FPZ in rocks: (1) ligament connections and (2) microcracking and its coalescence in FPZ. A Computed Tomography (CT) scan technique was also used to investigate the FPZ behaviour in selected rock specimens. The CT scan results showed that the fracturing velocity is entirely dependent on the appropriate amount of fracture energy absorbed in rock specimens due to the change of frequency and amplitudes of the dynamic loading. Extended Finite Element Method (XFEM) was used to compute the displacements, tensile stress distribution and plastic energy dissipation around the propagating crack tip in FPZ. One of the most important observations, the shape of FPZ and its extension around the crack tip, was made using numerical and experimental results, which supported the CT scan results. When the static rupture and the cyclic rupture were compared, the main differences are twofold: (1) the number of fragments produced is much greater under cyclic loading than under static loading, and (2) intergranular cracks are formed due to particle breakage under cyclic loading compared with smooth and bright cracks along cleavage planes under static loading.

Space-Time Conservation Element and Solution Element Method Being Developed

NASA Technical Reports Server (NTRS)

Chang, Sin-Chung; Himansu, Ananda; Jorgenson, Philip C. E.; Loh, Ching-Yuen; Wang, Xiao-Yen; Yu, Sheng-Tao

1999-01-01

The engineering research and design requirements of today pose great computer-simulation challenges to engineers and scientists who are called on to analyze phenomena in continuum mechanics. The future will bring even more daunting challenges, when increasingly complex phenomena must be analyzed with increased accuracy. Traditionally used numerical simulation methods have evolved to their present state by repeated incremental extensions to broaden their scope. They are reaching the limits of their applicability and will need to be radically revised, at the very least, to meet future simulation challenges. At the NASA Lewis Research Center, researchers have been developing a new numerical framework for solving conservation laws in continuum mechanics, namely, the Space-Time Conservation Element and Solution Element Method, or the CE/SE method. This method has been built from fundamentals and is not a modification of any previously existing method. It has been designed with generality, simplicity, robustness, and accuracy as cornerstones. The CE/SE method has thus far been applied in the fields of computational fluid dynamics, computational aeroacoustics, and computational electromagnetics. Computer programs based on the CE/SE method have been developed for calculating flows in one, two, and three spatial dimensions. Results have been obtained for numerous problems and phenomena, including various shock-tube problems, ZND detonation waves, an implosion and explosion problem, shocks over a forward-facing step, a blast wave discharging from a nozzle, various acoustic waves, and shock/acoustic-wave interactions. The method can clearly resolve shock/acoustic-wave interactions, wherein the difference of the magnitude between the acoustic wave and shock could be up to six orders. In two-dimensional flows, the reflected shock is as crisp as the leading shock. CE/SE schemes are currently being used for advanced applications to jet and fan noise prediction and to chemically reacting flows.

Computationally efficient simulation of unsteady aerodynamics using POD on the fly

NASA Astrophysics Data System (ADS)

Moreno-Ramos, Ruben; Vega, José M.; Varas, Fernando

2016-12-01

Modern industrial aircraft design requires a large amount of sufficiently accurate aerodynamic and aeroelastic simulations. Current computational fluid dynamics (CFD) solvers with aeroelastic capabilities, such as the NASA URANS unstructured solver FUN3D, require very large computational resources. Since a very large amount of simulation is necessary, the CFD cost is just unaffordable in an industrial production environment and must be significantly reduced. Thus, a more inexpensive, yet sufficiently precise solver is strongly needed. An opportunity to approach this goal could follow some recent results (Terragni and Vega 2014 SIAM J. Appl. Dyn. Syst. 13 330-65 Rapun et al 2015 Int. J. Numer. Meth. Eng. 104 844-68) on an adaptive reduced order model that combines ‘on the fly’ a standard numerical solver (to compute some representative snapshots), proper orthogonal decomposition (POD) (to extract modes from the snapshots), Galerkin projection (onto the set of POD modes), and several additional ingredients such as projecting the equations using a limited amount of points and fairly generic mode libraries. When applied to the complex Ginzburg-Landau equation, the method produces acceleration factors (comparing with standard numerical solvers) of the order of 20 and 300 in one and two space dimensions, respectively. Unfortunately, the extension of the method to unsteady, compressible flows around deformable geometries requires new approaches to deal with deformable meshes, high-Reynolds numbers, and compressibility. A first step in this direction is presented considering the unsteady compressible, two-dimensional flow around an oscillating airfoil using a CFD solver in a rigidly moving mesh. POD on the Fly gives results whose accuracy is comparable to that of the CFD solver used to compute the snapshots.

Evaluation of the effect of different stretching patterns on force decay and tensile properties of elastomeric ligatures

PubMed Central

Aminian, Amin; Nakhaei, Samaneh; Agahi, Raha Habib; Rezaeizade, Masoud; Aliabadi, Hamed Mirzazadeh; Heidarpour, Majid

2015-01-01

Background: There have been numerous researches on elastomeric ligatures, but clinical conditions in different stages of treatment are not exactly similar to laboratory conditions. The aim of this in vitro study was to simulate clinical conditions and evaluate the effect of three stretching patterns on the amount of force, tensile strength (TS) and extension to TS of the elastomers during 8 weeks. Materials and Methods: Forces, TS and extension to TS of two different brands of elastomers were measured at initial, 24 h and 2, 4, and 8-week intervals using a testing machine. During the study period, the elastomers were stored in three different types of jig (uniform stretching, 1 and 3 mm point stretching) designed by the computer-aided design and computer-aided manufacturing technique in order to simulate the different stages of orthodontic treatment. Results: The elastomeric ligatures under study exhibited a similar force decay pattern. The maximum force decay occurred during the first 24 h (49.9% ± 15%) and the amount of force decay was 75.7% ± 8% after 8 weeks. In general, the TS decreased during the study period, and the amount of extension to TS increased. Conclusion: Although the elastic behavior of all ligatures under study was similar, the amount of residual force, TS and extension to TS increased in elastomers under point stretching pattern. PMID:26759597

Evaluation of the effect of different stretching patterns on force decay and tensile properties of elastomeric ligatures.

PubMed

Aminian, Amin; Nakhaei, Samaneh; Agahi, Raha Habib; Rezaeizade, Masoud; Aliabadi, Hamed Mirzazadeh; Heidarpour, Majid

2015-01-01

There have been numerous researches on elastomeric ligatures, but clinical conditions in different stages of treatment are not exactly similar to laboratory conditions. The aim of this in vitro study was to simulate clinical conditions and evaluate the effect of three stretching patterns on the amount of force, tensile strength (TS) and extension to TS of the elastomers during 8 weeks. Forces, TS and extension to TS of two different brands of elastomers were measured at initial, 24 h and 2, 4, and 8-week intervals using a testing machine. During the study period, the elastomers were stored in three different types of jig (uniform stretching, 1 and 3 mm point stretching) designed by the computer-aided design and computer-aided manufacturing technique in order to simulate the different stages of orthodontic treatment. The elastomeric ligatures under study exhibited a similar force decay pattern. The maximum force decay occurred during the first 24 h (49.9% ± 15%) and the amount of force decay was 75.7% ± 8% after 8 weeks. In general, the TS decreased during the study period, and the amount of extension to TS increased. Although the elastic behavior of all ligatures under study was similar, the amount of residual force, TS and extension to TS increased in elastomers under point stretching pattern.

A SCILAB Program for Computing Rotating Magnetic Compact Objects

NASA Astrophysics Data System (ADS)

Papasotiriou, P. J.; Geroyannis, V. S.

We implement the so-called ``complex-plane iterative technique'' (CIT) to the computation of classical differentially rotating magnetic white dwarf and neutron star models. The program has been written in SCILAB (© INRIA-ENPC), a matrix-oriented high-level programming language, which can be downloaded free of charge from the site http://www-rocq.inria.fr/scilab. Due to the advanced capabilities of this language, the code is short and understandable. Highlights of the program are: (a) time-saving character, (b) easy use due to the built-in graphics user interface, (c) easy interfacing with Fortran via online dynamic link. We interpret our numerical results in various ways by extensively using the graphics environment of SCILAB.

Theoretical characterization of the minimum energy path for hydrogen atom addition to N2 - Implications for the unimolecular lifetime of HN2

NASA Technical Reports Server (NTRS)

Walch, Stephen P.; Duchovic, Ronald J.; Rohlfing, Celeste Mcmichael

1989-01-01

Results are reported from CASSCF externally contracted CI ab initio computations of the minimum-energy path for the addition of H to N2. The theoretical basis and numerical implementation of the computations are outlined, and the results are presented in extensive tables and graphs and characterized in detail. The zero-point-corrected barrier for HN2 dissociation is estimated as 8.5 kcal/mol, and the lifetime of the lowest-lying quasi-bound vibrational state of HN2 is found to be between 88 psec and 5.8 nsec (making experimental observation of this species very difficult).

Mathematical and Computational Modeling for Tumor Virotherapy with Mediated Immunity.

PubMed

Timalsina, Asim; Tian, Jianjun Paul; Wang, Jin

2017-08-01

We propose a new mathematical modeling framework based on partial differential equations to study tumor virotherapy with mediated immunity. The model incorporates both innate and adaptive immune responses and represents the complex interaction among tumor cells, oncolytic viruses, and immune systems on a domain with a moving boundary. Using carefully designed computational methods, we conduct extensive numerical simulation to the model. The results allow us to examine tumor development under a wide range of settings and provide insight into several important aspects of the virotherapy, including the dependence of the efficacy on a few key parameters and the delay in the adaptive immunity. Our findings also suggest possible ways to improve the virotherapy for tumor treatment.

Pressure Drop Across Woven Screens Under Uniform and Nonuniform Flow Conditions. [flow characteristics of water through Dutch twill and square weave fabrics

NASA Technical Reports Server (NTRS)

Ludewig, M.; Omori, S.; Rao, G. L.

1974-01-01

Tests were conducted to determine the experimental pressure drop and velocity data for water flowing through woven screens. The types of materials used are dutch twill and square weave fabrics. Pressure drop measures were made at four locations in a rectangular channel. The data are presented as change in pressure compared with the average entry velocity and the numerical relationship is determined by dividing the volumetric flow rate by the screen area open to flow. The equations of continuity and momentum are presented. A computer program listing an extension of a theoretical model and data from that computer program are included.

Rigorous Numerics for ill-posed PDEs: Periodic Orbits in the Boussinesq Equation

NASA Astrophysics Data System (ADS)

Castelli, Roberto; Gameiro, Marcio; Lessard, Jean-Philippe

2018-04-01

In this paper, we develop computer-assisted techniques for the analysis of periodic orbits of ill-posed partial differential equations. As a case study, our proposed method is applied to the Boussinesq equation, which has been investigated extensively because of its role in the theory of shallow water waves. The idea is to use the symmetry of the solutions and a Newton-Kantorovich type argument (the radii polynomial approach) to obtain rigorous proofs of existence of the periodic orbits in a weighted ℓ1 Banach space of space-time Fourier coefficients with exponential decay. We present several computer-assisted proofs of the existence of periodic orbits at different parameter values.

Extension of a hybrid particle-continuum method for a mixture of chemical species

NASA Astrophysics Data System (ADS)

Verhoff, Ashley M.; Boyd, Iain D.

2012-11-01

Due to the physical accuracy and numerical efficiency achieved by analyzing transitional, hypersonic flow fields with hybrid particle-continuum methods, this paper describes a Modular Particle-Continuum (MPC) method and its extension to include multiple chemical species. Considerations that are specific to a hybrid approach for simulating gas mixtures are addressed, including a discussion of the Chapman-Enskog velocity distribution function (VDF) for near-equilibrium flows, and consistent viscosity models for the individual CFD and DSMC modules of the MPC method. Representative results for a hypersonic blunt-body flow are then presented, where the flow field properties, surface properties, and computational performance are compared for simulations employing full CFD, full DSMC, and the MPC method.

Abrupt plate acceleration through oblique rifting: Geodynamic aspects of Gulf of California evolution

NASA Astrophysics Data System (ADS)

Brune, S.

2016-12-01

The Gulf of California formed by oblique divergence across the Pacific-North America plate boundary. This presentation combines numerical forward modeling and plate tectonic reconstructions in order to address 2 important aspects of rift dynamics: (1) Plate motions during continental rifting are decisively controlled by the non-linear decay of rift strength. This conclusion is based on a recent plate-kinematic analysis of post-Pangea rift systems (Central Atlantic, South Atlantic, Iberia/Newfoundland, Australia/Antarctica, North Atlantic, South China Sea). In all cases, continental rifting starts with a slow phase followed by an abrupt acceleration within a few My introducing a fast rift phase. Numerical forward modeling with force boundary conditions shows that the two-phase velocity behavior and the rapid speed-up during rifting are intrinsic features of continental rupture that can be robustly inferred for different crust and mantle rheologies. (2) Rift strength depends on the obliquity of the rift system: the force required to maintain a given rift velocity can be computed from simple analytical and more realistic numerical models alike, and both modeling approaches demonstrate that less force is required to perpetuate oblique extension. The reason is that plastic yielding requires a smaller plate boundary force when extension is oblique to the rift trend. Comparing strike slip and pure extension end-member scenarios, it can be shown that about 50% less force is required to deform the lithosphere under strike-slip. This result implies that rift systems involving significant obliquity are mechanically preferred. These two aspects shed new light on the underlying geodynamic causes of Gulf of California rift history. Continental extension is thought to have started in Late Eocene/Oligocene times as part of the southern Basin and Range Province and evolved in a protracted history at low extension rate (≤15 mm/yr). However, with a direction change in Baja California microplate motion 13-6 My ago, plate divergence drastically increased its obliquity, which reduced the rifts mechanical resistance to extension. This effective loss of rift strength sparked an acceleration of the Gulf of California rift and ultimately enabled today's divergence velocities of more than 45 mm/yr.

The route to chaos for the Kuramoto-Sivashinsky equation

NASA Technical Reports Server (NTRS)

Papageorgiou, Demetrios T.; Smyrlis, Yiorgos

1990-01-01

The results of extensive numerical experiments of the spatially periodic initial value problem for the Kuramoto-Sivashinsky equation. This paper is concerned with the asymptotic nonlinear dynamics at the dissipation parameter decreases and spatio-temporal chaos sets in. To this end the initial condition is taken to be the same for all numerical experiments (a single sine wave is used) and the large time evolution of the system is followed numerically. Numerous computations were performed to establish the existence of windows, in parameter space, in which the solution has the following characteristics as the viscosity is decreased: a steady fully modal attractor to a steady bimodal attractor to another steady fully modal attractor to a steady trimodal attractor to a periodic attractor, to another steady fully modal attractor, to another periodic attractor, to a steady tetramodal attractor, to another periodic attractor having a full sequence of period-doublings (in parameter space) to chaos. Numerous solutions are presented which provide conclusive evidence of the period-doubling cascades which precede chaos for this infinite-dimensional dynamical system. These results permit a computation of the length of subwindows which in turn provide an estimate for their successive ratios as the cascade develops. A calculation based on the numerical results is also presented to show that the period doubling sequences found here for the Kuramoto-Sivashinsky equation, are in complete agreement with Feigenbaum's universal constant of 4,669201609... . Some preliminary work shows several other windows following the first chaotic one including periodic, chaotic, and a steady octamodal window; however, the windows shrink significantly in size to enable concrete quantitative conclusions to be made.

Restoring a smooth function from its noisy integrals

NASA Astrophysics Data System (ADS)

Goulko, Olga; Prokof'ev, Nikolay; Svistunov, Boris

2018-05-01

Numerical (and experimental) data analysis often requires the restoration of a smooth function from a set of sampled integrals over finite bins. We present the bin hierarchy method that efficiently computes the maximally smooth function from the sampled integrals using essentially all the information contained in the data. We perform extensive tests with different classes of functions and levels of data quality, including Monte Carlo data suffering from a severe sign problem and physical data for the Green's function of the Fröhlich polaron.

A general methodology for maximum likelihood inference from band-recovery data

USGS Publications Warehouse

Conroy, M.J.; Williams, B.K.

1984-01-01

A numerical procedure is described for obtaining maximum likelihood estimates and associated maximum likelihood inference from band- recovery data. The method is used to illustrate previously developed one-age-class band-recovery models, and is extended to new models, including the analysis with a covariate for survival rates and variable-time-period recovery models. Extensions to R-age-class band- recovery, mark-recapture models, and twice-yearly marking are discussed. A FORTRAN program provides computations for these models.

Experimental, Numerical, and Analytical Slosh Dynamics of Water and Liquid Nitrogen in a Spherical Tank

NASA Technical Reports Server (NTRS)

Storey, Jedediah Morse

2016-01-01

Understanding, predicting, and controlling fluid slosh dynamics is critical to safety and improving performance of space missions when a significant percentage of the spacecraft's mass is a liquid. Computational fluid dynamics simulations can be used to predict the dynamics of slosh, but these programs require extensive validation. Many experimental and numerical studies of water slosh have been conducted. However, slosh data for cryogenic liquids is lacking. Water and cryogenic liquid nitrogen are used in various ground-based tests with a spherical tank to characterize damping, slosh mode frequencies, and slosh forces. A single ring baffle is installed in the tank for some of the tests. Analytical models for slosh modes, slosh forces, and baffle damping are constructed based on prior work. Select experiments are simulated using a commercial CFD software, and the numerical results are compared to the analytical and experimental results for the purposes of validation and methodology-improvement.

Numerical Hydrodynamics in Special Relativity.

PubMed

Martí, José Maria; Müller, Ewald

2003-01-01

This review is concerned with a discussion of numerical methods for the solution of the equations of special relativistic hydrodynamics (SRHD). Particular emphasis is put on a comprehensive review of the application of high-resolution shock-capturing methods in SRHD. Results of a set of demanding test bench simulations obtained with different numerical SRHD methods are compared. Three applications (astrophysical jets, gamma-ray bursts and heavy ion collisions) of relativistic flows are discussed. An evaluation of various SRHD methods is presented, and future developments in SRHD are analyzed involving extension to general relativistic hydrodynamics and relativistic magneto-hydrodynamics. The review further provides FORTRAN programs to compute the exact solution of a 1D relativistic Riemann problem with zero and nonzero tangential velocities, and to simulate 1D relativistic flows in Cartesian Eulerian coordinates using the exact SRHD Riemann solver and PPM reconstruction. Supplementary material is available for this article at 10.12942/lrr-2003-7 and is accessible for authorized users.

Navier-Stokes, flight, and wind tunnel flow analysis for the F/A-18 aircraft

NASA Technical Reports Server (NTRS)

Ghaffari, Farhad

1994-01-01

Computational analysis of flow over the F/A-18 aircraft is presented along with complementary data from both flight and wind tunnel experiments. The computational results are based on the three-dimensional thin-layer Navier-Stokes formulation and are obtained from an accurate surface representation of the fuselage, leading-edge extension (LEX), and the wing geometry. However, the constraints imposed by either the flow solver and/or the complexity associated with the flow-field grid generation required certain geometrical approximations to be implemented in the present numerical model. In particular, such constraints inspired the removal of the empennage and the blocking (fairing) of the inlet face. The results are computed for three different free-stream flow conditions and compared with flight test data of surface pressure coefficients, surface tuft flow, and off-surface vortical flow characteristics that included breakdown phenomena. Excellent surface pressure coefficient correlations, both in terms of magnitude and overall trend, are obtained on the forebody throughout the range of flow conditions. Reasonable pressure agreement was obtained over the LEX; the general correlation tends to improve at higher angles of attack. The surface tuft flow and the off-surface vortex flow structures compared qualitatively well with the flight test results. To evaluate the computational results, a wind tunnel investigation was conducted to determine the effects of existing configurational differences between the flight vehicle and the numerical model on aerodynamic characteristics. In most cases, the geometrical approximations made to the numerical model had very little effect on overall aerodynamic characteristics.

Numerical Study of Boundary Layer Interaction with Shocks: Method Improvement and Test Computation

NASA Technical Reports Server (NTRS)

Adams, N. A.

1995-01-01

The objective is the development of a high-order and high-resolution method for the direct numerical simulation of shock turbulent-boundary-layer interaction. Details concerning the spatial discretization of the convective terms can be found in Adams and Shariff (1995). The computer code based on this method as introduced in Adams (1994) was formulated in Cartesian coordinates and thus has been limited to simple rectangular domains. For more general two-dimensional geometries, as a compression corner, an extension to generalized coordinates is necessary. To keep the requirements or limitations for grid generation low, the extended formulation should allow for non-orthogonal grids. Still, for simplicity and cost efficiency, periodicity can be assumed in one cross-flow direction. For easy vectorization, the compact-ENO coupling algorithm as used in Adams (1994) treated whole planes normal to the derivative direction with the ENO scheme whenever at least one point of this plane satisfied the detection criterion. This is apparently too restrictive for more general geometries and more complex shock patterns. Here we introduce a localized compact-ENO coupling algorithm, which is efficient as long as the overall number of grid points treated by the ENO scheme is small compared to the total number of grid points. Validation and test computations with the final code are performed to assess the efficiency and suitability of the computer code for the problems of interest. We define a set of parameters where a direct numerical simulation of a turbulent boundary layer along a compression corner with reasonably fine resolution is affordable.

Numerical simulation of weakly ionized hypersonic flow over reentry capsules

NASA Astrophysics Data System (ADS)

Scalabrin, Leonardo C.

The mathematical and numerical formulation employed in the development of a new multi-dimensional Computational Fluid Dynamics (CFD) code for the simulation of weakly ionized hypersonic flows in thermo-chemical non-equilibrium over reentry configurations is presented. The flow is modeled using the Navier-Stokes equations modified to include finite-rate chemistry and relaxation rates to compute the energy transfer between different energy modes. The set of equations is solved numerically by discretizing the flowfield using unstructured grids made of any mixture of quadrilaterals and triangles in two-dimensions or hexahedra, tetrahedra, prisms and pyramids in three-dimensions. The partial differential equations are integrated on such grids using the finite volume approach. The fluxes across grid faces are calculated using a modified form of the Steger-Warming Flux Vector Splitting scheme that has low numerical dissipation inside boundary layers. The higher order extension of inviscid fluxes in structured grids is generalized in this work to be used in unstructured grids. Steady state solutions are obtained by integrating the solution over time implicitly. The resulting sparse linear system is solved by using a point implicit or by a line implicit method in which a tridiagonal matrix is assembled by using lines of cells that are formed starting at the wall. An algorithm that assembles these lines using completely general unstructured grids is developed. The code is parallelized to allow simulation of computationally demanding problems. The numerical code is successfully employed in the simulation of several hypersonic entry flows over space capsules as part of its validation process. Important quantities for the aerothermodynamics design of capsules such as aerodynamic coefficients and heat transfer rates are compared to available experimental and flight test data and other numerical results yielding very good agreement. A sensitivity analysis of predicted radiative heating of a space capsule to several thermo-chemical non-equilibrium models is also performed.

Leveraging Gibbs Ensemble Molecular Dynamics and Hybrid Monte Carlo/Molecular Dynamics for Efficient Study of Phase Equilibria.

PubMed

Gartner, Thomas E; Epps, Thomas H; Jayaraman, Arthi

2016-11-08

We describe an extension of the Gibbs ensemble molecular dynamics (GEMD) method for studying phase equilibria. Our modifications to GEMD allow for direct control over particle transfer between phases and improve the method's numerical stability. Additionally, we found that the modified GEMD approach had advantages in computational efficiency in comparison to a hybrid Monte Carlo (MC)/MD Gibbs ensemble scheme in the context of the single component Lennard-Jones fluid. We note that this increase in computational efficiency does not compromise the close agreement of phase equilibrium results between the two methods. However, numerical instabilities in the GEMD scheme hamper GEMD's use near the critical point. We propose that the computationally efficient GEMD simulations can be used to map out the majority of the phase window, with hybrid MC/MD used as a follow up for conditions under which GEMD may be unstable (e.g., near-critical behavior). In this manner, we can capitalize on the contrasting strengths of these two methods to enable the efficient study of phase equilibria for systems that present challenges for a purely stochastic GEMC method, such as dense or low temperature systems, and/or those with complex molecular topologies.

Adaptive error covariances estimation methods for ensemble Kalman filters

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

Zhen, Yicun, E-mail: zhen@math.psu.edu; Harlim, John, E-mail: jharlim@psu.edu

2015-08-01

This paper presents a computationally fast algorithm for estimating, both, the system and observation noise covariances of nonlinear dynamics, that can be used in an ensemble Kalman filtering framework. The new method is a modification of Belanger's recursive method, to avoid an expensive computational cost in inverting error covariance matrices of product of innovation processes of different lags when the number of observations becomes large. When we use only product of innovation processes up to one-lag, the computational cost is indeed comparable to a recently proposed method by Berry–Sauer's. However, our method is more flexible since it allows for usingmore » information from product of innovation processes of more than one-lag. Extensive numerical comparisons between the proposed method and both the original Belanger's and Berry–Sauer's schemes are shown in various examples, ranging from low-dimensional linear and nonlinear systems of SDEs and 40-dimensional stochastically forced Lorenz-96 model. Our numerical results suggest that the proposed scheme is as accurate as the original Belanger's scheme on low-dimensional problems and has a wider range of more accurate estimates compared to Berry–Sauer's method on L-96 example.« less

Effective transport properties of composites of spheres

NASA Astrophysics Data System (ADS)

Felderhof, B. U.

1994-06-01

The effective linear transport properties of composites of spheres may be studied by the methods of statistical physics. The analysis leads to an exact cluster expansion. The resulting expression for the transport coefficients may be evaluated approximately as the sum of a mean field contribution and correction terms, given by cluster integrals over two-sphere and three-sphere correlation functions. Calculations of this nature have been performed for the effective dielectric constant, as well as the effective elastic constants of composites of spheres. Accurate numerical data for the effective properties may be obtained by computer simulation. An efficient formulation uses multiple expansion in Cartesian coordinates and periodic boundary conditions. Extensive numerical results have been obtained for the effective dielectric constant of a suspension of randomly distributed spheres.

A Taylor weak-statement algorithm for hyperbolic conservation laws

NASA Technical Reports Server (NTRS)

Baker, A. J.; Kim, J. W.

1987-01-01

Finite element analysis, applied to computational fluid dynamics (CFD) problem classes, presents a formal procedure for establishing the ingredients of a discrete approximation numerical solution algorithm. A classical Galerkin weak-statement formulation, formed on a Taylor series extension of the conservation law system, is developed herein that embeds a set of parameters eligible for constraint according to specification of suitable norms. The derived family of Taylor weak statements is shown to contain, as special cases, over one dozen independently derived CFD algorithms published over the past several decades for the high speed flow problem class. A theoretical analysis is completed that facilitates direct qualitative comparisons. Numerical results for definitive linear and nonlinear test problems permit direct quantitative performance comparisons.

Petascale supercomputing to accelerate the design of high-temperature alloys

DOE PAGES

Shin, Dongwon; Lee, Sangkeun; Shyam, Amit; ...

2017-10-25

Recent progress in high-performance computing and data informatics has opened up numerous opportunities to aid the design of advanced materials. Herein, we demonstrate a computational workflow that includes rapid population of high-fidelity materials datasets via petascale computing and subsequent analyses with modern data science techniques. We use a first-principles approach based on density functional theory to derive the segregation energies of 34 microalloying elements at the coherent and semi-coherent interfaces between the aluminium matrix and the θ'-Al 2Cu precipitate, which requires several hundred supercell calculations. We also perform extensive correlation analyses to identify materials descriptors that affect the segregation behaviourmore » of solutes at the interfaces. Finally, we show an example of leveraging machine learning techniques to predict segregation energies without performing computationally expensive physics-based simulations. As a result, the approach demonstrated in the present work can be applied to any high-temperature alloy system for which key materials data can be obtained using high-performance computing.« less

Petascale supercomputing to accelerate the design of high-temperature alloys

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

Shin, Dongwon; Lee, Sangkeun; Shyam, Amit

Recent progress in high-performance computing and data informatics has opened up numerous opportunities to aid the design of advanced materials. Herein, we demonstrate a computational workflow that includes rapid population of high-fidelity materials datasets via petascale computing and subsequent analyses with modern data science techniques. We use a first-principles approach based on density functional theory to derive the segregation energies of 34 microalloying elements at the coherent and semi-coherent interfaces between the aluminium matrix and the θ'-Al 2Cu precipitate, which requires several hundred supercell calculations. We also perform extensive correlation analyses to identify materials descriptors that affect the segregation behaviourmore » of solutes at the interfaces. Finally, we show an example of leveraging machine learning techniques to predict segregation energies without performing computationally expensive physics-based simulations. As a result, the approach demonstrated in the present work can be applied to any high-temperature alloy system for which key materials data can be obtained using high-performance computing.« less

Petascale supercomputing to accelerate the design of high-temperature alloys

NASA Astrophysics Data System (ADS)

Shin, Dongwon; Lee, Sangkeun; Shyam, Amit; Haynes, J. Allen

2017-12-01

Recent progress in high-performance computing and data informatics has opened up numerous opportunities to aid the design of advanced materials. Herein, we demonstrate a computational workflow that includes rapid population of high-fidelity materials datasets via petascale computing and subsequent analyses with modern data science techniques. We use a first-principles approach based on density functional theory to derive the segregation energies of 34 microalloying elements at the coherent and semi-coherent interfaces between the aluminium matrix and the θ‧-Al2Cu precipitate, which requires several hundred supercell calculations. We also perform extensive correlation analyses to identify materials descriptors that affect the segregation behaviour of solutes at the interfaces. Finally, we show an example of leveraging machine learning techniques to predict segregation energies without performing computationally expensive physics-based simulations. The approach demonstrated in the present work can be applied to any high-temperature alloy system for which key materials data can be obtained using high-performance computing.

Computation of incompressible viscous flows through artificial heart devices with moving boundaries

NASA Technical Reports Server (NTRS)

Kiris, Cetin; Rogers, Stuart; Kwak, Dochan; Chang, I.-DEE

1991-01-01

The extension of computational fluid dynamics techniques to artificial heart flow simulations is illustrated. Unsteady incompressible Navier-Stokes equations written in 3-D generalized curvilinear coordinates are solved iteratively at each physical time step until the incompressibility condition is satisfied. The solution method is based on the pseudo compressibility approach and uses an implicit upwind differencing scheme together with the Gauss-Seidel line relaxation method. The efficiency and robustness of the time accurate formulation of the algorithm are tested by computing the flow through model geometries. A channel flow with a moving indentation is computed and validated with experimental measurements and other numerical solutions. In order to handle the geometric complexity and the moving boundary problems, a zonal method and an overlapping grid embedding scheme are used, respectively. Steady state solutions for the flow through a tilting disk heart valve was compared against experimental measurements. Good agreement was obtained. The flow computation during the valve opening and closing is carried out to illustrate the moving boundary capability.

Π4U: A high performance computing framework for Bayesian uncertainty quantification of complex models

NASA Astrophysics Data System (ADS)

Hadjidoukas, P. E.; Angelikopoulos, P.; Papadimitriou, C.; Koumoutsakos, P.

2015-03-01

We present Π4U, an extensible framework, for non-intrusive Bayesian Uncertainty Quantification and Propagation (UQ+P) of complex and computationally demanding physical models, that can exploit massively parallel computer architectures. The framework incorporates Laplace asymptotic approximations as well as stochastic algorithms, along with distributed numerical differentiation and task-based parallelism for heterogeneous clusters. Sampling is based on the Transitional Markov Chain Monte Carlo (TMCMC) algorithm and its variants. The optimization tasks associated with the asymptotic approximations are treated via the Covariance Matrix Adaptation Evolution Strategy (CMA-ES). A modified subset simulation method is used for posterior reliability measurements of rare events. The framework accommodates scheduling of multiple physical model evaluations based on an adaptive load balancing library and shows excellent scalability. In addition to the software framework, we also provide guidelines as to the applicability and efficiency of Bayesian tools when applied to computationally demanding physical models. Theoretical and computational developments are demonstrated with applications drawn from molecular dynamics, structural dynamics and granular flow.

Aerothermal modeling program, phase 2. Element B: Flow interaction experiment

NASA Technical Reports Server (NTRS)

Nikjooy, M.; Mongia, H. C.; Murthy, S. N. B.; Sullivan, J. P.

1986-01-01

The design process was improved and the efficiency, life, and maintenance costs of the turbine engine hot section was enhanced. Recently, there has been much emphasis on the need for improved numerical codes for the design of efficient combustors. For the development of improved computational codes, there is a need for an experimentally obtained data base to be used at test cases for the accuracy of the computations. The purpose of Element-B is to establish a benchmark quality velocity and scalar measurements of the flow interaction of circular jets with swirling flow typical of that in the dome region of annular combustor. In addition to the detailed experimental effort, extensive computations of the swirling flows are to be compared with the measurements for the purpose of assessing the accuracy of current and advanced turbulence and scalar transport models.

The collaboration of grouping laws in vision.

PubMed

Grompone von Gioi, Rafael; Delon, Julie; Morel, Jean-Michel

2012-01-01

Gestalt theory gives a list of geometric grouping laws that could in principle give a complete account of human image perception. Based on an extensive thesaurus of clever graphical images, this theory discusses how grouping laws collaborate, and conflict toward a global image understanding. Unfortunately, as shown in the bibliographical analysis herewith, the attempts to formalize the grouping laws in computer vision and psychophysics have at best succeeded to compute individual partial structures (or partial gestalts), such as alignments or symmetries. Nevertheless, we show here that a never formalized clever Gestalt experimental procedure, the Nachzeichnung suggests a numerical set up to implement and test the collaboration of partial gestalts. The new computational procedure proposed here analyzes a digital image, and performs a numerical simulation that we call Nachtanz or Gestaltic dance. In this dance, the analyzed digital image is gradually deformed in a random way, but maintaining the detected partial gestalts. The resulting dancing images should be perceptually indistinguishable if and only if the grouping process was complete. Like the Nachzeichnung, the Nachtanz permits a visual exploration of the degrees of freedom still available to a figure after all partial groups (or gestalts) have been detected. In the new proposed procedure, instead of drawing themselves, subjects will be shown samples of the automatic Gestalt dances and required to evaluate if the figures are similar. Several numerical preliminary results with this new Gestaltic experimental setup are thoroughly discussed. Copyright © 2012 Elsevier Ltd. All rights reserved.

Impact of implementation choices on quantitative predictions of cell-based computational models

NASA Astrophysics Data System (ADS)

Kursawe, Jochen; Baker, Ruth E.; Fletcher, Alexander G.

2017-09-01

'Cell-based' models provide a powerful computational tool for studying the mechanisms underlying the growth and dynamics of biological tissues in health and disease. An increasing amount of quantitative data with cellular resolution has paved the way for the quantitative parameterisation and validation of such models. However, the numerical implementation of cell-based models remains challenging, and little work has been done to understand to what extent implementation choices may influence model predictions. Here, we consider the numerical implementation of a popular class of cell-based models called vertex models, which are often used to study epithelial tissues. In two-dimensional vertex models, a tissue is approximated as a tessellation of polygons and the vertices of these polygons move due to mechanical forces originating from the cells. Such models have been used extensively to study the mechanical regulation of tissue topology in the literature. Here, we analyse how the model predictions may be affected by numerical parameters, such as the size of the time step, and non-physical model parameters, such as length thresholds for cell rearrangement. We find that vertex positions and summary statistics are sensitive to several of these implementation parameters. For example, the predicted tissue size decreases with decreasing cell cycle durations, and cell rearrangement may be suppressed by large time steps. These findings are counter-intuitive and illustrate that model predictions need to be thoroughly analysed and implementation details carefully considered when applying cell-based computational models in a quantitative setting.

Differential geometry based solvation model I: Eulerian formulation

NASA Astrophysics Data System (ADS)

Chen, Zhan; Baker, Nathan A.; Wei, G. W.

2010-11-01

This paper presents a differential geometry based model for the analysis and computation of the equilibrium property of solvation. Differential geometry theory of surfaces is utilized to define and construct smooth interfaces with good stability and differentiability for use in characterizing the solvent-solute boundaries and in generating continuous dielectric functions across the computational domain. A total free energy functional is constructed to couple polar and nonpolar contributions to the solvation process. Geometric measure theory is employed to rigorously convert a Lagrangian formulation of the surface energy into an Eulerian formulation so as to bring all energy terms into an equal footing. By optimizing the total free energy functional, we derive coupled generalized Poisson-Boltzmann equation (GPBE) and generalized geometric flow equation (GGFE) for the electrostatic potential and the construction of realistic solvent-solute boundaries, respectively. By solving the coupled GPBE and GGFE, we obtain the electrostatic potential, the solvent-solute boundary profile, and the smooth dielectric function, and thereby improve the accuracy and stability of implicit solvation calculations. We also design efficient second-order numerical schemes for the solution of the GPBE and GGFE. Matrix resulted from the discretization of the GPBE is accelerated with appropriate preconditioners. An alternative direct implicit (ADI) scheme is designed to improve the stability of solving the GGFE. Two iterative approaches are designed to solve the coupled system of nonlinear partial differential equations. Extensive numerical experiments are designed to validate the present theoretical model, test computational methods, and optimize numerical algorithms. Example solvation analysis of both small compounds and proteins are carried out to further demonstrate the accuracy, stability, efficiency and robustness of the present new model and numerical approaches. Comparison is given to both experimental and theoretical results in the literature.

Differential geometry based solvation model I: Eulerian formulation

PubMed Central

Chen, Zhan; Baker, Nathan A.; Wei, G. W.

2010-01-01

This paper presents a differential geometry based model for the analysis and computation of the equilibrium property of solvation. Differential geometry theory of surfaces is utilized to define and construct smooth interfaces with good stability and differentiability for use in characterizing the solvent-solute boundaries and in generating continuous dielectric functions across the computational domain. A total free energy functional is constructed to couple polar and nonpolar contributions to the salvation process. Geometric measure theory is employed to rigorously convert a Lagrangian formulation of the surface energy into an Eulerian formulation so as to bring all energy terms into an equal footing. By minimizing the total free energy functional, we derive coupled generalized Poisson-Boltzmann equation (GPBE) and generalized geometric flow equation (GGFE) for the electrostatic potential and the construction of realistic solvent-solute boundaries, respectively. By solving the coupled GPBE and GGFE, we obtain the electrostatic potential, the solvent-solute boundary profile, and the smooth dielectric function, and thereby improve the accuracy and stability of implicit solvation calculations. We also design efficient second order numerical schemes for the solution of the GPBE and GGFE. Matrix resulted from the discretization of the GPBE is accelerated with appropriate preconditioners. An alternative direct implicit (ADI) scheme is designed to improve the stability of solving the GGFE. Two iterative approaches are designed to solve the coupled system of nonlinear partial differential equations. Extensive numerical experiments are designed to validate the present theoretical model, test computational methods, and optimize numerical algorithms. Example solvation analysis of both small compounds and proteins are carried out to further demonstrate the accuracy, stability, efficiency and robustness of the present new model and numerical approaches. Comparison is given to both experimental and theoretical results in the literature. PMID:20938489

Parallel Calculations in LS-DYNA

NASA Astrophysics Data System (ADS)

Vartanovich Mkrtychev, Oleg; Aleksandrovich Reshetov, Andrey

2017-11-01

Nowadays, structural mechanics exhibits a trend towards numeric solutions being found for increasingly extensive and detailed tasks, which requires that capacities of computing systems be enhanced. Such enhancement can be achieved by different means. E.g., in case a computing system is represented by a workstation, its components can be replaced and/or extended (CPU, memory etc.). In essence, such modification eventually entails replacement of the entire workstation, i.e. replacement of certain components necessitates exchange of others (faster CPUs and memory devices require buses with higher throughput etc.). Special consideration must be given to the capabilities of modern video cards. They constitute powerful computing systems capable of running data processing in parallel. Interestingly, the tools originally designed to render high-performance graphics can be applied for solving problems not immediately related to graphics (CUDA, OpenCL, Shaders etc.). However, not all software suites utilize video cards’ capacities. Another way to increase capacity of a computing system is to implement a cluster architecture: to add cluster nodes (workstations) and to increase the network communication speed between the nodes. The advantage of this approach is extensive growth due to which a quite powerful system can be obtained by combining not particularly powerful nodes. Moreover, separate nodes may possess different capacities. This paper considers the use of a clustered computing system for solving problems of structural mechanics with LS-DYNA software. To establish a range of dependencies a mere 2-node cluster has proven sufficient.

Nonlinear Solver Approaches for the Diffusive Wave Approximation to the Shallow Water Equations

NASA Astrophysics Data System (ADS)

Collier, N.; Knepley, M.

2015-12-01

The diffusive wave approximation to the shallow water equations (DSW) is a doubly-degenerate, nonlinear, parabolic partial differential equation used to model overland flows. Despite its challenges, the DSW equation has been extensively used to model the overland flow component of various integrated surface/subsurface models. The equation's complications become increasingly problematic when ponding occurs, a feature which becomes pervasive when solving on large domains with realistic terrain. In this talk I discuss the various forms and regularizations of the DSW equation and highlight their effect on the solvability of the nonlinear system. In addition to this analysis, I present results of a numerical study which tests the applicability of a class of composable nonlinear algebraic solvers recently added to the Portable, Extensible, Toolkit for Scientific Computation (PETSc).

Application of the MacCormack scheme to overland flow routing for high-spatial resolution distributed hydrological model

NASA Astrophysics Data System (ADS)

Zhang, Ling; Nan, Zhuotong; Liang, Xu; Xu, Yi; Hernández, Felipe; Li, Lianxia

2018-03-01

Although process-based distributed hydrological models (PDHMs) are evolving rapidly over the last few decades, their extensive applications are still challenged by the computational expenses. This study attempted, for the first time, to apply the numerically efficient MacCormack algorithm to overland flow routing in a representative high-spatial resolution PDHM, i.e., the distributed hydrology-soil-vegetation model (DHSVM), in order to improve its computational efficiency. The analytical verification indicates that both the semi and full versions of the MacCormack schemes exhibit robust numerical stability and are more computationally efficient than the conventional explicit linear scheme. The full-version outperforms the semi-version in terms of simulation accuracy when a same time step is adopted. The semi-MacCormack scheme was implemented into DHSVM (version 3.1.2) to solve the kinematic wave equations for overland flow routing. The performance and practicality of the enhanced DHSVM-MacCormack model was assessed by performing two groups of modeling experiments in the Mercer Creek watershed, a small urban catchment near Bellevue, Washington. The experiments show that DHSVM-MacCormack can considerably improve the computational efficiency without compromising the simulation accuracy of the original DHSVM model. More specifically, with the same computational environment and model settings, the computational time required by DHSVM-MacCormack can be reduced to several dozen minutes for a simulation period of three months (in contrast with one day and a half by the original DHSVM model) without noticeable sacrifice of the accuracy. The MacCormack scheme proves to be applicable to overland flow routing in DHSVM, which implies that it can be coupled into other PHDMs for watershed routing to either significantly improve their computational efficiency or to make the kinematic wave routing for high resolution modeling computational feasible.

A Numerical Combination of Extended Boundary Condition Method and Invariant Imbedding Method Applied to Light Scattering by Large Spheroids and Cylinders

NASA Technical Reports Server (NTRS)

Bi, Lei; Yang, Ping; Kattawar, George W.; Mishchenko, Michael I.

2013-01-01

The extended boundary condition method (EBCM) and invariant imbedding method (IIM) are two fundamentally different T-matrix methods for the solution of light scattering by nonspherical particles. The standard EBCM is very efficient but encounters a loss of precision when the particle size is large, the maximum size being sensitive to the particle aspect ratio. The IIM can be applied to particles in a relatively large size parameter range but requires extensive computational time due to the number of spherical layers in the particle volume discretization. A numerical combination of the EBCM and the IIM (hereafter, the EBCM+IIM) is proposed to overcome the aforementioned disadvantages of each method. Even though the EBCM can fail to obtain the T-matrix of a considered particle, it is valuable for decreasing the computational domain (i.e., the number of spherical layers) of the IIM by providing the initial T-matrix associated with an iterative procedure in the IIM. The EBCM+IIM is demonstrated to be more efficient than the IIM in obtaining the optical properties of large size parameter particles beyond the convergence limit of the EBCM. The numerical performance of the EBCM+IIM is illustrated through representative calculations in spheroidal and cylindrical particle cases.

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.

Survey on Security Issues in Cloud Computing and Associated Mitigation Techniques

NASA Astrophysics Data System (ADS)

Bhadauria, Rohit; Sanyal, Sugata

2012-06-01

Cloud Computing holds the potential to eliminate the requirements for setting up of high-cost computing infrastructure for IT-based solutions and services that the industry uses. It promises to provide a flexible IT architecture, accessible through internet for lightweight portable devices. This would allow multi-fold increase in the capacity or capabilities of the existing and new software. In a cloud computing environment, the entire data reside over a set of networked resources, enabling the data to be accessed through virtual machines. Since these data-centers may lie in any corner of the world beyond the reach and control of users, there are multifarious security and privacy challenges that need to be understood and taken care of. Also, one can never deny the possibility of a server breakdown that has been witnessed, rather quite often in the recent times. There are various issues that need to be dealt with respect to security and privacy in a cloud computing scenario. This extensive survey paper aims to elaborate and analyze the numerous unresolved issues threatening the cloud computing adoption and diffusion affecting the various stake-holders linked to it.

Development and application of unified algorithms for problems in computational science

NASA Technical Reports Server (NTRS)

Shankar, Vijaya; Chakravarthy, Sukumar

1987-01-01

A framework is presented for developing computationally unified numerical algorithms for solving nonlinear equations that arise in modeling various problems in mathematical physics. The concept of computational unification is an attempt to encompass efficient solution procedures for computing various nonlinear phenomena that may occur in a given problem. For example, in Computational Fluid Dynamics (CFD), a unified algorithm will be one that allows for solutions to subsonic (elliptic), transonic (mixed elliptic-hyperbolic), and supersonic (hyperbolic) flows for both steady and unsteady problems. The objectives are: development of superior unified algorithms emphasizing accuracy and efficiency aspects; development of codes based on selected algorithms leading to validation; application of mature codes to realistic problems; and extension/application of CFD-based algorithms to problems in other areas of mathematical physics. The ultimate objective is to achieve integration of multidisciplinary technologies to enhance synergism in the design process through computational simulation. Specific unified algorithms for a hierarchy of gas dynamics equations and their applications to two other areas: electromagnetic scattering, and laser-materials interaction accounting for melting.

Evaluation of Cache-based Superscalar and Cacheless Vector Architectures for Scientific Computations

NASA Technical Reports Server (NTRS)

Oliker, Leonid; Carter, Jonathan; Shalf, John; Skinner, David; Ethier, Stephane; Biswas, Rupak; Djomehri, Jahed; VanderWijngaart, Rob

2003-01-01

The growing gap between sustained and peak performance for scientific applications has become a well-known problem in high performance computing. The recent development of parallel vector systems offers the potential to bridge this gap for a significant number of computational science codes and deliver a substantial increase in computing capabilities. This paper examines the intranode performance of the NEC SX6 vector processor and the cache-based IBM Power3/4 superscalar architectures across a number of key scientific computing areas. First, we present the performance of a microbenchmark suite that examines a full spectrum of low-level machine characteristics. Next, we study the behavior of the NAS Parallel Benchmarks using some simple optimizations. Finally, we evaluate the perfor- mance of several numerical codes from key scientific computing domains. Overall results demonstrate that the SX6 achieves high performance on a large fraction of our application suite and in many cases significantly outperforms the RISC-based architectures. However, certain classes of applications are not easily amenable to vectorization and would likely require extensive reengineering of both algorithm and implementation to utilize the SX6 effectively.

A positive and entropy-satisfying finite volume scheme for the Baer-Nunziato model

NASA Astrophysics Data System (ADS)

Coquel, Frédéric; Hérard, Jean-Marc; Saleh, Khaled

2017-02-01

We present a relaxation scheme for approximating the entropy dissipating weak solutions of the Baer-Nunziato two-phase flow model. This relaxation scheme is straightforwardly obtained as an extension of the relaxation scheme designed in [16] for the isentropic Baer-Nunziato model and consequently inherits its main properties. To our knowledge, this is the only existing scheme for which the approximated phase fractions, phase densities and phase internal energies are proven to remain positive without any restrictive condition other than a classical fully computable CFL condition. For ideal gas and stiffened gas equations of state, real values of the phasic speeds of sound are also proven to be maintained by the numerical scheme. It is also the only scheme for which a discrete entropy inequality is proven, under a CFL condition derived from the natural sub-characteristic condition associated with the relaxation approximation. This last property, which ensures the non-linear stability of the numerical method, is satisfied for any admissible equation of state. We provide a numerical study for the convergence of the approximate solutions towards some exact Riemann solutions. The numerical simulations show that the relaxation scheme compares well with two of the most popular existing schemes available for the Baer-Nunziato model, namely Schwendeman-Wahle-Kapila's Godunov-type scheme [39] and Tokareva-Toro's HLLC scheme [44]. The relaxation scheme also shows a higher precision and a lower computational cost (for comparable accuracy) than a standard numerical scheme used in the nuclear industry, namely Rusanov's scheme. Finally, we assess the good behavior of the scheme when approximating vanishing phase solutions.

Computational Fluid Dynamics Modeling of Submerged Objects Under Unidirectional and Oscillatory Flows.

NASA Astrophysics Data System (ADS)

Fytanidis, D. K.; Wu, H.; Landry, B. J.; Garcia, M. H.

2017-12-01

Abandoned Unexploded Ordnances (UXOs) from wartime events, accidents, training or other military activities can be found in coastal environments. While the interest for these hazardous submerged objects is increased, there are still existing knowledge gaps regarding the mechanisms of incipient motion and flow behavior around UXOs lying on the seafloor. Numerical modeling of flow around near bed placed UXOs is conducted for unidirectional and oscillatory flow conditions using Computational Fluid Dynamics techniques. The Reynolds-Averaged Navier-Stokes (RANS) approach is used to simulate the complex turbulent flow field around UXOs. The numerical results are compared with two-dimensional Particle Image Velocimetry measurements from experiments conducted in unidirectional and oscillatory flow facilities within the Ven Te Chow Hydrosystems Laboratory to evaluate the accuracy of the applied RANS-based solver. Realistic boundary conditions are imposed in the numerical models to mimic the experimental conditions in the laboratory facilities. The comparison between the numerical results and the experimental data agrees well. In addition, the effect of the angle of attack on the forces that UXOs experience is examined. Numerical results suggest that the orientation of UXOs with respect to the mean flow is an important parameter for incipient motion under critical flow conditions which is in agreement with prior laboratory experimental results regarding the identification of critical flow conditions for the initiation of motion of UXOs. Finally, an extensive parametric analysis is conducted to evaluate the effect of the maximum current velocity and wave characteristics (maximum velocity and period) on the flow forces and the mean flow pattern around the objects.

A positive and entropy-satisfying finite volume scheme for the Baer–Nunziato model

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

Coquel, Frédéric, E-mail: frederic.coquel@cmap.polytechnique.fr; Hérard, Jean-Marc, E-mail: jean-marc.herard@edf.fr; Saleh, Khaled, E-mail: saleh@math.univ-lyon1.fr

We present a relaxation scheme for approximating the entropy dissipating weak solutions of the Baer–Nunziato two-phase flow model. This relaxation scheme is straightforwardly obtained as an extension of the relaxation scheme designed in for the isentropic Baer–Nunziato model and consequently inherits its main properties. To our knowledge, this is the only existing scheme for which the approximated phase fractions, phase densities and phase internal energies are proven to remain positive without any restrictive condition other than a classical fully computable CFL condition. For ideal gas and stiffened gas equations of state, real values of the phasic speeds of sound aremore » also proven to be maintained by the numerical scheme. It is also the only scheme for which a discrete entropy inequality is proven, under a CFL condition derived from the natural sub-characteristic condition associated with the relaxation approximation. This last property, which ensures the non-linear stability of the numerical method, is satisfied for any admissible equation of state. We provide a numerical study for the convergence of the approximate solutions towards some exact Riemann solutions. The numerical simulations show that the relaxation scheme compares well with two of the most popular existing schemes available for the Baer–Nunziato model, namely Schwendeman–Wahle–Kapila's Godunov-type scheme and Tokareva–Toro's HLLC scheme . The relaxation scheme also shows a higher precision and a lower computational cost (for comparable accuracy) than a standard numerical scheme used in the nuclear industry, namely Rusanov's scheme. Finally, we assess the good behavior of the scheme when approximating vanishing phase solutions.« less

Analytic algorithms for determining radiative transfer optical properties of ocean waters.

PubMed

Kaskas, Ayse; Güleçyüz, Mustafa C; Tezcan, Cevdet; McCormick, Norman J

2006-10-10

A synthetic model for the scattering phase function is used to develop simple algebraic equations, valid for any water type, for evaluating the ratio of the backscattering to absorption coefficients of spatially uniform, very deep waters with data from upward and downward planar irradiances and the remotely sensed reflectance. The phase function is a variable combination of a forward-directed Dirac delta function plus isotropic scattering, which is an elementary model for strongly forward scattering such as that encountered in oceanic optics applications. The incident illumination at the surface is taken to be diffuse plus a collimated beam. The algorithms are compared with other analytic correlations that were previously derived from extensive numerical simulations, and they are also numerically tested with forward problem results computed with a modified FN method.

The Osher scheme for non-equilibrium reacting flows

NASA Technical Reports Server (NTRS)

Suresh, Ambady; Liou, Meng-Sing

1992-01-01

An extension of the Osher upwind scheme to nonequilibrium reacting flows is presented. Owing to the presence of source terms, the Riemann problem is no longer self-similar and therefore its approximate solution becomes tedious. With simplicity in mind, a linearized approach which avoids an iterative solution is used to define the intermediate states and sonic points. The source terms are treated explicitly. Numerical computations are presented to demonstrate the feasibility, efficiency and accuracy of the proposed method. The test problems include a ZND (Zeldovich-Neumann-Doring) detonation problem for which spurious numerical solutions which propagate at mesh speed have been observed on coarse grids. With the present method, a change of limiter causes the solution to change from the physically correct CJ detonation solution to the spurious weak detonation solution.

Core-collapse supernovae as supercomputing science: A status report toward six-dimensional simulations with exact Boltzmann neutrino transport in full general relativity

NASA Astrophysics Data System (ADS)

Kotake, Kei; Sumiyoshi, Kohsuke; Yamada, Shoichi; Takiwaki, Tomoya; Kuroda, Takami; Suwa, Yudai; Nagakura, Hiroki

2012-08-01

This is a status report on our endeavor to reveal the mechanism of core-collapse supernovae (CCSNe) by large-scale numerical simulations. Multi-dimensionality of the supernova engine, general relativistic magnetohydrodynamics, energy and lepton number transport by neutrinos emitted from the forming neutron star, as well as nuclear interactions there, are all believed to play crucial roles in repelling infalling matter and producing energetic explosions. These ingredients are non-linearly coupled with one another in the dynamics of core collapse, bounce, and shock expansion. Serious quantitative studies of CCSNe hence make extensive numerical computations mandatory. Since neutrinos are neither in thermal nor in chemical equilibrium in general, their distributions in the phase space should be computed. This is a six-dimensional (6D) neutrino transport problem and quite a challenge, even for those with access to the most advanced numerical resources such as the "K computer". To tackle this problem, we have embarked on efforts on multiple fronts. In particular, we report in this paper our recent progresses in the treatment of multidimensional (multi-D) radiation hydrodynamics. We are currently proceeding on two different paths to the ultimate goal. In one approach, we employ an approximate but highly efficient scheme for neutrino transport and treat 3D hydrodynamics and/or general relativity rigorously; some neutrino-driven explosions will be presented and quantitative comparisons will be made between 2D and 3D models. In the second approach, on the other hand, exact, but so far Newtonian, Boltzmann equations are solved in two and three spatial dimensions; we will show some example test simulations. We will also address the perspectives of exascale computations on the next generation supercomputers.

Orbital theory in terms of KS elements with luni-solar perturbations

NASA Astrophysics Data System (ADS)

Sellamuthu, Harishkumar; Sharma, Ram

2016-07-01

Precise orbit computation of Earth orbiting satellites is essential for efficient mission planning of planetary exploration, navigation and satellite geodesy. The third-body perturbations of the Sun and the Moon predominantly affect the satellite motion in the high altitude and elliptical orbits, where the effect of atmospheric drag is negligible. The physics of the luni-solar gravity effect on Earth satellites have been studied extensively over the years. The combined luni-solar gravitational attraction will induce a cumulative effect on the dynamics of satellite orbits, which mainly oscillates the perigee altitude. Though accurate orbital parameters are computed by numerical integration with respect to complex force models, analytical theories are highly valued for the manifold of solutions restricted to relatively simple force models. During close approach, the classical equations of motion in celestial mechanics are almost singular and they are unstable for long-term orbit propagation. A new singularity-free analytical theory in terms of KS (Kustaanheimo and Stiefel) regular elements with respect to luni-solar perturbation is developed. These equations are regular everywhere and eccentric anomaly is the independent variable. Plataforma Solar de Almería (PSA) algorithm and a Fourier series algorithm are used to compute the accurate positions of the Sun and the Moon, respectively. Numerical studies are carried out for wide range of initial parameters and the analytical solutions are found to be satisfactory when compared with numerically integrated values. The symmetrical nature of the equations allows only two of the nine equations to be solved for computing the state vectors and the time. Only a change in the initial conditions is required to solve the other equations. This theory will find multiple applications including on-board software packages and for mission analysis purposes.

Robust and Simple Non-Reflecting Boundary Conditions for the Euler Equations: A New Approach Based on the Space-Time CE/SE Method

NASA Technical Reports Server (NTRS)

Chang, Sin-Chung; Himansu, Ananda; Loh, Ching-Yuen; Wang, Xiao-Yen; Yu, Shang-Tao

2003-01-01

This paper reports on a significant advance in the area of non-reflecting boundary conditions (NRBCs) for unsteady flow computations. As a part of the development of the space-time conservation element and solution element (CE/SE) method, sets of NRBCs for 1D Euler problems are developed without using any characteristics-based techniques. These conditions are much simpler than those commonly reported in the literature, yet so robust that they are applicable to subsonic, transonic and supersonic flows even in the presence of discontinuities. In addition, the straightforward multidimensional extensions of the present 1D NRBCs have been shown numerically to be equally simple and robust. The paper details the theoretical underpinning of these NRBCs, and explains their unique robustness and accuracy in terms of the conservation of space-time fluxes. Some numerical results for an extended Sod's shock-tube problem, illustrating the effectiveness of the present NRBCs are included, together with an associated simple Fortran computer program. As a preliminary to the present development, a review of the basic CE/SE schemes is also included.

Extension of a coarse grained particle method to simulate heat transfer in fluidized beds

DOE PAGES

Lu, Liqiang; Morris, Aaron; Li, Tingwen; ...

2017-04-18

The heat transfer in a gas-solids fluidized bed is simulated with computational fluid dynamic-discrete element method (CFD-DEM) and coarse grained particle method (CGPM). In CGPM fewer numerical particles and their collisions are tracked by lumping several real particles into a computational parcel. Here, the assumption is that the real particles inside a coarse grained particle (CGP) are made from same species and share identical physical properties including density, diameter and temperature. The parcel-fluid convection term in CGPM is calculated using the same method as in DEM. For all other heat transfer mechanisms, we derive in this study mathematical expressions thatmore » relate the new heat transfer terms for CGPM to those traditionally derived in DEM. This newly derived CGPM model is verified and validated by comparing the results with CFD-DEM simulation results and experiment data. The numerical results compare well with experimental data for both hydrodynamics and temperature profiles. Finally, the proposed CGPM model can be used for fast and accurate simulations of heat transfer in large scale gas-solids fluidized beds.« less

Extension of a coarse grained particle method to simulate heat transfer in fluidized beds

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

Lu, Liqiang; Morris, Aaron; Li, Tingwen

The heat transfer in a gas-solids fluidized bed is simulated with computational fluid dynamic-discrete element method (CFD-DEM) and coarse grained particle method (CGPM). In CGPM fewer numerical particles and their collisions are tracked by lumping several real particles into a computational parcel. Here, the assumption is that the real particles inside a coarse grained particle (CGP) are made from same species and share identical physical properties including density, diameter and temperature. The parcel-fluid convection term in CGPM is calculated using the same method as in DEM. For all other heat transfer mechanisms, we derive in this study mathematical expressions thatmore » relate the new heat transfer terms for CGPM to those traditionally derived in DEM. This newly derived CGPM model is verified and validated by comparing the results with CFD-DEM simulation results and experiment data. The numerical results compare well with experimental data for both hydrodynamics and temperature profiles. Finally, the proposed CGPM model can be used for fast and accurate simulations of heat transfer in large scale gas-solids fluidized beds.« less

SL12-GADRAS-PD2Ka Annual Report

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

Mitchell, Dean J.

2014-09-09

The GADRAS Development project comprises several elements that are all related to the Detector Response Function (DRF), which is the core of GADRAS. An ongoing activity is implementing continuous improvements in the accuracy and versatility of the DRF. The ability to perform rapid computation of the response of gammaray detectors for 3-D descriptions of source objects and their environments is a good example of a recent utilization of this versatility. The 3-D calculations, which execute several orders of magnitude faster than competing techniques, compute the response as an extension of the DRF so the radiation transport problem is never solvedmore » explicitly, thus saving considerable computational time. Maintenance of the Graphic User Interface (GUI) and extension of the GUI to enable construction of the 3-D source models is included in tasking for the GADRAS Development project. Another aspect of this project is application of the isotope identification algorithms for search applications. Specifically, SNL is tasked with development of an isotope-identification based search capability for use with the RSL-developed AVID system, which supports simultaneous operation of numerous radiation search assets. A Publically Available (PA) GADRAS-DRF application, which eliminates sensitive analysis components, will soon be available so that the DRF can be used by researchers at universities and corporations.« less

Recent advances in analytical satellite theory

NASA Technical Reports Server (NTRS)

Gaposchkin, E. M.

1978-01-01

Recent work on analytical satellite perturbation theory has involved the completion of a revision to 4th order for zonal harmonics, the addition of a treatment for ocean tides, an extension of the treatment for the noninertial reference system, and the completion of a theory for direct solar-radiation pressure and earth-albedo pressure. Combined with a theory for tesseral-harmonics, lunisolar, and body-tide perturbations, these formulations provide a comprehensive orbit-computation program. Detailed comparisons with numerical integration and observations are presented to assess the accuracy of each theoretical development.

On the structure of existence regions for sinks of the Hénon map

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

Galias, Zbigniew, E-mail: galias@agh.edu.pl; Tucker, Warwick, E-mail: warwick@math.uu.se

2014-03-15

An extensive search for stable periodic orbits (sinks) for the Hénon map in a small neighborhood of the classical parameter values is carried out. Several parameter values which generate a sink are found and verified by rigorous numerical computations. Each found parameter value is extended to a larger region of existence using a simplex continuation method. The structure of these regions of existence is investigated. This study shows that for the Hénon map, there exist sinks close to the classical case.

Time-Dependent Thermally-Driven Interfacial Flows in Multilayered Fluid Structures

NASA Technical Reports Server (NTRS)

Haj-Hariri, Hossein; Borhan, A.

1996-01-01

A computational study of thermally-driven convection in multilayered fluid structures will be performed to examine the effect of interactions among deformable fluid-fluid interfaces on the structure of time-dependent flow in these systems. Multilayered fluid structures in two models configurations will be considered: the differentially heated rectangular cavity with a free surface, and the encapsulated cylindrical liquid bridge. An extension of a numerical method developed as part of our recent NASA Fluid Physics grant will be used to account for finite deformations of fluid-fluid interfaces.

A Survey of Symplectic and Collocation Integration Methods for Orbit Propagation

NASA Technical Reports Server (NTRS)

Jones, Brandon A.; Anderson, Rodney L.

2012-01-01

Demands on numerical integration algorithms for astrodynamics applications continue to increase. Common methods, like explicit Runge-Kutta, meet the orbit propagation needs of most scenarios, but more specialized scenarios require new techniques to meet both computational efficiency and accuracy needs. This paper provides an extensive survey on the application of symplectic and collocation methods to astrodynamics. Both of these methods benefit from relatively recent theoretical developments, which improve their applicability to artificial satellite orbit propagation. This paper also details their implementation, with several tests demonstrating their advantages and disadvantages.

Real time eye tracking using Kalman extended spatio-temporal context learning

NASA Astrophysics Data System (ADS)

Munir, Farzeen; Minhas, Fayyaz ul Amir Asfar; Jalil, Abdul; Jeon, Moongu

2017-06-01

Real time eye tracking has numerous applications in human computer interaction such as a mouse cursor control in a computer system. It is useful for persons with muscular or motion impairments. However, tracking the movement of the eye is complicated by occlusion due to blinking, head movement, screen glare, rapid eye movements, etc. In this work, we present the algorithmic and construction details of a real time eye tracking system. Our proposed system is an extension of Spatio-Temporal context learning through Kalman Filtering. Spatio-Temporal Context Learning offers state of the art accuracy in general object tracking but its performance suffers due to object occlusion. Addition of the Kalman filter allows the proposed method to model the dynamics of the motion of the eye and provide robust eye tracking in cases of occlusion. We demonstrate the effectiveness of this tracking technique by controlling the computer cursor in real time by eye movements.

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

A versatile embedded boundary adaptive mesh method for compressible flow in complex geometry

NASA Astrophysics Data System (ADS)

Al-Marouf, M.; Samtaney, R.

2017-05-01

We present an embedded ghost fluid method for numerical solutions of the compressible Navier Stokes (CNS) equations in arbitrary complex domains. A PDE multidimensional extrapolation approach is used to reconstruct the solution in the ghost fluid regions and imposing boundary conditions on the fluid-solid interface, coupled with a multi-dimensional algebraic interpolation for freshly cleared cells. The CNS equations are numerically solved by the second order multidimensional upwind method. Block-structured adaptive mesh refinement, implemented with the Chombo framework, is utilized to reduce the computational cost while keeping high resolution mesh around the embedded boundary and regions of high gradient solutions. The versatility of the method is demonstrated via several numerical examples, in both static and moving geometry, ranging from low Mach number nearly incompressible flows to supersonic flows. Our simulation results are extensively verified against other numerical results and validated against available experimental results where applicable. The significance and advantages of our implementation, which revolve around balancing between the solution accuracy and implementation difficulties, are briefly discussed as well.

A comparative study between experimental results and numerical predictions of multi-wall structural response to hypervelocity impact

NASA Technical Reports Server (NTRS)

Schonberg, William P.; Peck, Jeffrey A.

1992-01-01

Over the last three decades, multiwall structures have been analyzed extensively, primarily through experiment, as a means of increasing the protection afforded to spacecraft structure. However, as structural configurations become more varied, the number of tests required to characterize their response increases dramatically. As an alternative, numerical modeling of high-speed impact phenomena is often being used to predict the response of a variety of structural systems under impact loading conditions. This paper presents the results of a preliminary numerical/experimental investigation of the hypervelocity impact response of multiwall structures. The results of experimental high-speed impact tests are compared against the predictions of the HULL hydrodynamic computer code. It is shown that the hypervelocity impact response characteristics of a specific system cannot be accurately predicted from a limited number of HULL code impact simulations. However, if a wide range of impact loadings conditions are considered, then the ballistic limit curve of the system based on the entire series of numerical simulations can be used as a relatively accurate indication of actual system response.

Integrating numerical computation into the undergraduate education physics curriculum using spreadsheet excel

NASA Astrophysics Data System (ADS)

Fauzi, Ahmad

2017-11-01

Numerical computation has many pedagogical advantages: it develops analytical skills and problem-solving skills, helps to learn through visualization, and enhances physics education. Unfortunately, numerical computation is not taught to undergraduate education physics students in Indonesia. Incorporate numerical computation into the undergraduate education physics curriculum presents many challenges. The main challenges are the dense curriculum that makes difficult to put new numerical computation course and most students have no programming experience. In this research, we used case study to review how to integrate numerical computation into undergraduate education physics curriculum. The participants of this research were 54 students of the fourth semester of physics education department. As a result, we concluded that numerical computation could be integrated into undergraduate education physics curriculum using spreadsheet excel combined with another course. The results of this research become complements of the study on how to integrate numerical computation in learning physics using spreadsheet excel.

An extension of the finite cell method using boolean operations

NASA Astrophysics Data System (ADS)

Abedian, Alireza; Düster, Alexander

2017-05-01

In the finite cell method, the fictitious domain approach is combined with high-order finite elements. The geometry of the problem is taken into account by integrating the finite cell formulation over the physical domain to obtain the corresponding stiffness matrix and load vector. In this contribution, an extension of the FCM is presented wherein both the physical and fictitious domain of an element are simultaneously evaluated during the integration. In the proposed extension of the finite cell method, the contribution of the stiffness matrix over the fictitious domain is subtracted from the cell, resulting in the desired stiffness matrix which reflects the contribution of the physical domain only. This method results in an exponential rate of convergence for porous domain problems with a smooth solution and accurate integration. In addition, it reduces the computational cost, especially when applying adaptive integration schemes based on the quadtree/octree. Based on 2D and 3D problems of linear elastostatics, numerical examples serve to demonstrate the efficiency and accuracy of the proposed method.

EXTENSION OF THE MURAM RADIATIVE MHD CODE FOR CORONAL SIMULATIONS

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

Rempel, M., E-mail: rempel@ucar.edu

2017-01-01

We present a new version of the MURaM radiative magnetohydrodynamics (MHD) code that allows for simulations spanning from the upper convection zone into the solar corona. We implement the relevant coronal physics in terms of optically thin radiative loss, field aligned heat conduction, and an equilibrium ionization equation of state. We artificially limit the coronal Alfvén and heat conduction speeds to computationally manageable values using an approximation to semi-relativistic MHD with an artificially reduced speed of light (Boris correction). We present example solutions ranging from quiet to active Sun in order to verify the validity of our approach. We quantifymore » the role of numerical diffusivity for the effective coronal heating. We find that the (numerical) magnetic Prandtl number determines the ratio of resistive to viscous heating and that owing to the very large magnetic Prandtl number of the solar corona, heating is expected to happen predominantly through viscous dissipation. We find that reasonable solutions can be obtained with values of the reduced speed of light just marginally larger than the maximum sound speed. Overall this leads to a fully explicit code that can compute the time evolution of the solar corona in response to photospheric driving using numerical time steps not much smaller than 0.1 s. Numerical simulations of the coronal response to flux emergence covering a time span of a few days are well within reach using this approach.« less

Reactor Dosimetry Applications Using RAPTOR-M3G:. a New Parallel 3-D Radiation Transport Code

NASA Astrophysics Data System (ADS)

Longoni, Gianluca; Anderson, Stanwood L.

2009-08-01

The numerical solution of the Linearized Boltzmann Equation (LBE) via the Discrete Ordinates method (SN) requires extensive computational resources for large 3-D neutron and gamma transport applications due to the concurrent discretization of the angular, spatial, and energy domains. This paper will discuss the development RAPTOR-M3G (RApid Parallel Transport Of Radiation - Multiple 3D Geometries), a new 3-D parallel radiation transport code, and its application to the calculation of ex-vessel neutron dosimetry responses in the cavity of a commercial 2-loop Pressurized Water Reactor (PWR). RAPTOR-M3G is based domain decomposition algorithms, where the spatial and angular domains are allocated and processed on multi-processor computer architectures. As compared to traditional single-processor applications, this approach reduces the computational load as well as the memory requirement per processor, yielding an efficient solution methodology for large 3-D problems. Measured neutron dosimetry responses in the reactor cavity air gap will be compared to the RAPTOR-M3G predictions. This paper is organized as follows: Section 1 discusses the RAPTOR-M3G methodology; Section 2 describes the 2-loop PWR model and the numerical results obtained. Section 3 addresses the parallel performance of the code, and Section 4 concludes this paper with final remarks and future work.

Numerical Simulations and Experimental Measurements of Scale-Model Horizontal Axis Hydrokinetic Turbines (HAHT) Arrays

NASA Astrophysics Data System (ADS)

Javaherchi, Teymour; Stelzenmuller, Nick; Seydel, Joseph; Aliseda, Alberto

2014-11-01

The performance, turbulent wake evolution and interaction of multiple Horizontal Axis Hydrokinetic Turbines (HAHT) is analyzed in a 45:1 scale model setup. We combine experimental measurements with different RANS-based computational simulations that model the turbines with sliding-mesh, rotating reference frame and blame element theory strategies. The influence of array spacing and Tip Speed Ratio on performance and wake velocity structure is investigated in three different array configurations: Two coaxial turbines at different downstream spacing (5d to 14d), Three coaxial turbines with 5d and 7d downstream spacing, and Three turbines with lateral offset (0.5d) and downstream spacing (5d & 7d). Comparison with experimental measurements provides insights into the dynamics of HAHT arrays, and by extension to closely packed HAWT arrays. The experimental validation process also highlights the influence of the closure model used (k- ω SST and k- ɛ) and the flow Reynolds number (Re=40,000 to 100,000) on the computational predictions of devices' performance and characteristics of the flow field inside the above-mentioned arrays, establishing the strengths and limitations of existing numerical models for use in industrially-relevant settings (computational cost and time). Supported by DOE through the National Northwest Marine Renewable Energy Center (NNMREC).

Reliability enhancement of Navier-Stokes codes through convergence acceleration

NASA Technical Reports Server (NTRS)

Merkle, Charles L.; Dulikravich, George S.

1995-01-01

Methods for enhancing the reliability of Navier-Stokes computer codes through improving convergence characteristics are presented. The improving of these characteristics decreases the likelihood of code unreliability and user interventions in a design environment. The problem referred to as a 'stiffness' in the governing equations for propulsion-related flowfields is investigated, particularly in regard to common sources of equation stiffness that lead to convergence degradation of CFD algorithms. Von Neumann stability theory is employed as a tool to study the convergence difficulties involved. Based on the stability results, improved algorithms are devised to ensure efficient convergence in different situations. A number of test cases are considered to confirm a correlation between stability theory and numerical convergence. The examples of turbulent and reacting flow are presented, and a generalized form of the preconditioning matrix is derived to handle these problems, i.e., the problems involving additional differential equations for describing the transport of turbulent kinetic energy, dissipation rate and chemical species. Algorithms for unsteady computations are considered. The extension of the preconditioning techniques and algorithms derived for Navier-Stokes computations to three-dimensional flow problems is discussed. New methods to accelerate the convergence of iterative schemes for the numerical integration of systems of partial differential equtions are developed, with a special emphasis on the acceleration of convergence on highly clustered grids.

Fully Implicit, Nonlinear 3D Extended Magnetohydrodynamics

NASA Astrophysics Data System (ADS)

Chacon, Luis; Knoll, Dana

2003-10-01

Extended magnetohydrodynamics (XMHD) includes nonideal effects such as nonlinear, anisotropic transport and two-fluid (Hall) effects. XMHD supports multiple, separate time scales that make explicit time differencing approaches extremely inefficient. While a fully implicit implementation promises efficiency without sacrificing numerical accuracy,(D. A. Knoll et al., phJ. Comput. Phys.) 185 (2), 583-611 (2003) the nonlinear nature of the XMHD system and the numerical stiffness associated with the fast waves make this endeavor difficult. Newton-Krylov methods are, however, ideally suited for such a task. These synergistically combine Newton's method for nonlinear convergence, and Krylov techniques to solve the associated Jacobian (linear) systems. Krylov methods can be implemented Jacobian-free and can be preconditioned for efficiency. Successful preconditioning strategies have been developed for 2D incompressible resistive(L. Chacón et al., phJ. Comput. Phys). 178 (1), 15- 36 (2002) and Hall(L. Chacón and D. A. Knoll, phJ. Comput. Phys.), 188 (2), 573-592 (2003) MHD models. These are based on ``physics-based'' ideas, in which knowledge of the physics is exploited to derive well-conditioned (diagonally-dominant) approximations to the original system that are amenable to optimal solver technologies (multigrid). In this work, we will describe the status of the extension of the 2D preconditioning ideas for a 3D compressible, single-fluid XMHD model.

A generalized chemistry version of SPARK

NASA Technical Reports Server (NTRS)

Carpenter, Mark H.

1988-01-01

An extension of the reacting H2-air computer code SPARK is presented, which enables the code to be used on any reacting flow problem. Routines are developed calculating in a general fashion, the reaction rates, and chemical Jacobians of any reacting system. In addition, an equilibrium routine is added so that the code will have frozen, finite rate, and equilibrium capabilities. The reaction rate for the species is determined from the law of mass action using Arrhenius expressions for the rate constants. The Jacobian routines are determined by numerically or analytically differentiating the law of mass action for each species. The equilibrium routine is based on a Gibbs free energy minimization routine. The routines are written in FORTRAN 77, with special consideration given to vectorization. Run times for the generalized routines are generally 20 percent slower than reaction specific routines. The numerical efficiency of the generalized analytical Jacobian, however, is nearly 300 percent better than the reaction specific numerical Jacobian used in SPARK.

Gravitational geons in asymptotically anti-de Sitter spacetimes

NASA Astrophysics Data System (ADS)

Martinon, Grégoire; Fodor, Gyula; Grandclément, Philippe; Forgács, Peter

2017-06-01

We report on numerical constructions of fully non-linear geons in asymptotically anti-de Sitter (AdS) spacetimes in four dimensions. Our approach is based on 3  +  1 formalism and spectral methods in a gauge combining maximal slicing and spatial harmonic coordinates. We are able to construct several families of geons seeded by different families of spherical harmonics. We can reach unprecedentedly high amplitudes, with mass of order  ∼1/2 of the AdS length, and with deviations of the order of 50% compared to third order perturbative approaches. The consistency of our results with numerical resolution is carefully checked and we give extensive precision monitoring techniques. All global quantities, such as mass and angular momentum, are computed using two independent frameworks that agree with each other at the 0.1% level. We also provide strong evidence for the existence of ‘excited’ (i.e. with one radial node) geon solutions of Einstein equations in asymptotically AdS spacetimes by constructing them numerically.

Improved diffusion Monte Carlo propagators for bosonic systems using Itô calculus

NASA Astrophysics Data System (ADS)

Hâkansson, P.; Mella, M.; Bressanini, Dario; Morosi, Gabriele; Patrone, Marta

2006-11-01

The construction of importance sampled diffusion Monte Carlo (DMC) schemes accurate to second order in the time step is discussed. A central aspect in obtaining efficient second order schemes is the numerical solution of the stochastic differential equation (SDE) associated with the Fokker-Plank equation responsible for the importance sampling procedure. In this work, stochastic predictor-corrector schemes solving the SDE and consistent with Itô calculus are used in DMC simulations of helium clusters. These schemes are numerically compared with alternative algorithms obtained by splitting the Fokker-Plank operator, an approach that we analyze using the analytical tools provided by Itô calculus. The numerical results show that predictor-corrector methods are indeed accurate to second order in the time step and that they present a smaller time step bias and a better efficiency than second order split-operator derived schemes when computing ensemble averages for bosonic systems. The possible extension of the predictor-corrector methods to higher orders is also discussed.

Resolution of the 1D regularized Burgers equation using a spatial wavelet approximation

NASA Technical Reports Server (NTRS)

Liandrat, J.; Tchamitchian, PH.

1990-01-01

The Burgers equation with a small viscosity term, initial and periodic boundary conditions is resolved using a spatial approximation constructed from an orthonormal basis of wavelets. The algorithm is directly derived from the notions of multiresolution analysis and tree algorithms. Before the numerical algorithm is described these notions are first recalled. The method uses extensively the localization properties of the wavelets in the physical and Fourier spaces. Moreover, the authors take advantage of the fact that the involved linear operators have constant coefficients. Finally, the algorithm can be considered as a time marching version of the tree algorithm. The most important point is that an adaptive version of the algorithm exists: it allows one to reduce in a significant way the number of degrees of freedom required for a good computation of the solution. Numerical results and description of the different elements of the algorithm are provided in combination with different mathematical comments on the method and some comparison with more classical numerical algorithms.

Generating Neuron Geometries for Detailed Three-Dimensional Simulations Using AnaMorph.

PubMed

Mörschel, Konstantin; Breit, Markus; Queisser, Gillian

2017-07-01

Generating realistic and complex computational domains for numerical simulations is often a challenging task. In neuroscientific research, more and more one-dimensional morphology data is becoming publicly available through databases. This data, however, only contains point and diameter information not suitable for detailed three-dimensional simulations. In this paper, we present a novel framework, AnaMorph, that automatically generates water-tight surface meshes from one-dimensional point-diameter files. These surface triangulations can be used to simulate the electrical and biochemical behavior of the underlying cell. In addition to morphology generation, AnaMorph also performs quality control of the semi-automatically reconstructed cells coming from anatomical reconstructions. This toolset allows an extension from the classical dimension-reduced modeling and simulation of cellular processes to a full three-dimensional and morphology-including method, leading to novel structure-function interplay studies in the medical field. The developed numerical methods can further be employed in other areas where complex geometries are an essential component of numerical simulations.

Non-hydrostatic semi-elastic hybrid-coordinate SISL extension of HIRLAM. Part I: numerical scheme

NASA Astrophysics Data System (ADS)

Rõõm, Rein; Männik, Aarne; Luhamaa, Andres

2007-10-01

Two-time-level, semi-implicit, semi-Lagrangian (SISL) scheme is applied to the non-hydrostatic pressure coordinate equations, constituting a modified Miller-Pearce-White model, in hybrid-coordinate framework. Neutral background is subtracted in the initial continuous dynamics, yielding modified equations for geopotential, temperature and logarithmic surface pressure fluctuation. Implicit Lagrangian marching formulae for single time-step are derived. A disclosure scheme is presented, which results in an uncoupled diagnostic system, consisting of 3-D Poisson equation for omega velocity and 2-D Helmholtz equation for logarithmic pressure fluctuation. The model is discretized to create a non-hydrostatic extension to numerical weather prediction model HIRLAM. The discretization schemes, trajectory computation algorithms and interpolation routines, as well as the physical parametrization package are maintained from parent hydrostatic HIRLAM. For stability investigation, the derived SISL model is linearized with respect to the initial, thermally non-equilibrium resting state. Explicit residuals of the linear model prove to be sensitive to the relative departures of temperature and static stability from the reference state. Relayed on the stability study, the semi-implicit term in the vertical momentum equation is replaced to the implicit term, which results in stability increase of the model.

Computational Models of Rock Failure

NASA Astrophysics Data System (ADS)

May, Dave A.; Spiegelman, Marc

2017-04-01

Practitioners in computational geodynamics, as per many other branches of applied science, typically do not analyse the underlying PDE's being solved in order to establish the existence or uniqueness of solutions. Rather, such proofs are left to the mathematicians, and all too frequently these results lag far behind (in time) the applied research being conducted, are often unintelligible to the non-specialist, are buried in journals applied scientists simply do not read, or simply have not been proven. As practitioners, we are by definition pragmatic. Thus, rather than first analysing our PDE's, we first attempt to find approximate solutions by throwing all our computational methods and machinery at the given problem and hoping for the best. Typically this approach leads to a satisfactory outcome. Usually it is only if the numerical solutions "look odd" that we start delving deeper into the math. In this presentation I summarise our findings in relation to using pressure dependent (Drucker-Prager type) flow laws in a simplified model of continental extension in which the material is assumed to be an incompressible, highly viscous fluid. Such assumptions represent the current mainstream adopted in computational studies of mantle and lithosphere deformation within our community. In short, we conclude that for the parameter range of cohesion and friction angle relevant to studying rocks, the incompressibility constraint combined with a Drucker-Prager flow law can result in problems which have no solution. This is proven by a 1D analytic model and convincingly demonstrated by 2D numerical simulations. To date, we do not have a robust "fix" for this fundamental problem. The intent of this submission is to highlight the importance of simple analytic models, highlight some of the dangers / risks of interpreting numerical solutions without understanding the properties of the PDE we solved, and lastly to stimulate discussions to develop an improved computational model of rock failure suitable for geodynamic studies.

The Silicon Trypanosome: a test case of iterative model extension in systems biology

PubMed Central

Achcar, Fiona; Fadda, Abeer; Haanstra, Jurgen R.; Kerkhoven, Eduard J.; Kim, Dong-Hyun; Leroux, Alejandro E.; Papamarkou, Theodore; Rojas, Federico; Bakker, Barbara M.; Barrett, Michael P.; Clayton, Christine; Girolami, Mark; Luise Krauth-Siegel, R.; Matthews, Keith R.; Breitling, Rainer

2016-01-01

The African trypanosome, Trypanosoma brucei, is a unicellular parasite causing African Trypanosomiasis (sleeping sickness in humans and nagana in animals). Due to some of its unique properties, it has emerged as a popular model organism in systems biology. A predictive quantitative model of glycolysis in the bloodstream form of the parasite has been constructed and updated several times. The Silicon Trypanosome (SilicoTryp) is a project that brings together modellers and experimentalists to improve and extend this core model with new pathways and additional levels of regulation. These new extensions and analyses use computational methods that explicitly take different levels of uncertainty into account. During this project, numerous tools and techniques have been developed for this purpose, which can now be used for a wide range of different studies in systems biology. PMID:24797926

Effectiveness of Rotation-free Triangular and Quadrilateral Shell Elements in Sheet-metal Forming Simulations

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

Brunet, M.; Sabourin, F.

2005-08-05

This paper is concerned with the effectiveness of triangular 3-node shell element without rotational d.o.f. and the extension to a new 4-node quadrilateral shell element called S4 with only 3 translational degrees of freedom per node and one-point integration. The curvatures are computed resorting to the surrounding elements. Extension from rotation-free triangular element to a quadrilateral element requires internal curvatures in order to avoid singular bending stiffness. Two numerical examples with regular and irregular meshes are performed to show the convergence and accuracy. Deep-drawing of a box, spring-back analysis of a U-shape strip sheet and the crash simulation of amore » beam-box complete the demonstration of the bending capabilities of the proposed rotation-free triangular and quadrilateral elements.« less

Numerical Simulation with Experimental Validation of the Draping Behavior of Woven Fabrics

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

Rodgers, William; Pasupuleti, Praveen; Zhao, Selina

Woven fabric composites are extensively used in molding complex geometrical shapes due to their high conformability compared to other fabrics. Preforming is an important step in the overall process. In this step, the two-dimensional fabric is draped to become the three-dimensional shape of the part prior to resin injection. During preforming, the orientation of the tows may change significantly compared to the initial orientations. Accurate prediction of the tow orientations after molding is important for evaluating the structural performance of the final part. This paper investigates the fiber angle changes for carbon fiber woven fabrics during draping over a truncatedmore » pyramid tool designed and fabricated at the General Motors Research Labs. This aspect of study is a subset of the broad study conducted under the purview of a Department of Energy project funded to GM in developing state of the art computational tools for integrated manufacturing and structural performance prediction of carbon fiber composites. Fabric bending, picture frame testing, and bias-extension evaluations were carried out to determine the material parameters for these fabrics. The PAM-FORM computer program was used to model the draping behavior of these fabrics. Following deformation, fiber angle changes at different locations on the truncated pyramid were measured experimentally. The predicted angles matched the experimental results well as measured along the centerline and at several different locations on the deformed fabric. Details of the test methods used as well as the numerical results with various simulation parameters will be provided.« less

The development of the red giant branch. I - Theoretical evolutionary sequences

NASA Technical Reports Server (NTRS)

Sweigart, Allen V.; Greggio, Laura; Renzini, Alvio

1989-01-01

A grid of 100 evolutionary sequences extending from the zero-age main sequence to the onset of helium burning has been computed for stellar masses between 1.4 and 3.4 solar masses, helium abundances of 0.20 and 0.30, and heavy-element abundances of 0.004, 0.01, and 0.04. Using these computations the transition in the morphology of the red giant branch (RGB) between low-mass stars, which have an extended and luminous first RGB phase prior to helium ignition, and intermediate-mass stars, which do not, is investigated. Extensive tabulations of the numerical results are provided to aid in applying these sequences. The effects of the first dredge-up on the surface helium and CNO abundances of the sequences is discussed.

Handling qualities of large flexible control-configured aircraft

NASA Technical Reports Server (NTRS)

Swaim, R. L.

1980-01-01

The effects on handling qualities of low frequency symmetric elastic mode interaction with the rigid body dynamics of a large flexible aircraft was analyzed by use of a mathematical pilot modeling computer simulation. An extension of the optimal control model for a human pilot was made so that the mode interaction effects on the pilot's control task could be assessed. Pilot ratings were determined for a longitudinal tracking task with parametric variations in the undamped natural frequencies of the two lowest frequency symmetric elastic modes made to induce varying amounts of mode interaction. Relating numerical performance index values associated with the frequency variations used in several dynamic cases, to a numerical Cooper-Harper pilot rating has proved successful in discriminating when the mathematical pilot can or cannot separate rigid from elastic response in the tracking task.

High order entropy conservative central schemes for wide ranges of compressible gas dynamics and MHD flows

NASA Astrophysics Data System (ADS)

Sjögreen, Björn; Yee, H. C.

2018-07-01

The Sjogreen and Yee [31] high order entropy conservative numerical method for compressible gas dynamics is extended to include discontinuities and also extended to equations of ideal magnetohydrodynamics (MHD). The basic idea is based on Tadmor's [40] original work for inviscid perfect gas flows. For the MHD four formulations of the MHD are considered: (a) the conservative MHD, (b) the Godunov [14] non-conservative form, (c) the Janhunen [19] - MHD with magnetic field source terms, and (d) a MHD with source terms by Brackbill and Barnes [5]. Three forms of the high order entropy numerical fluxes for the MHD in the finite difference framework are constructed. They are based on the extension of the low order form of Chandrashekar and Klingenberg [9], and two forms with modifications of the Winters and Gassner [49] numerical fluxes. For flows containing discontinuities and multiscale turbulence fluctuations the high order entropy conservative numerical fluxes as the new base scheme under the Yee and Sjogreen [31] and Kotov et al. [21,22] high order nonlinear filter approach is developed. The added nonlinear filter step on the high order centered entropy conservative spatial base scheme is only utilized at isolated computational regions, while maintaining high accuracy almost everywhere for long time integration of unsteady flows and DNS and LES of turbulence computations. Representative test cases for both smooth flows and problems containing discontinuities for the gas dynamics and the ideal MHD are included. The results illustrate the improved stability by using the high order entropy conservative numerical flux as the base scheme instead of the pure high order central scheme.

Computer Numerical Control: Instructional Manual. The North Dakota High Technology Mobile Laboratory Project.

ERIC Educational Resources Information Center

Sinn, John W.

This instructional manual contains five learning activity packets for use in a workshop on computer numerical control for computer-aided manufacturing. The lessons cover the following topics: introduction to computer-aided manufacturing, understanding the lathe, using the computer, computer numerically controlled part programming, and executing a…

MPBEC, a Matlab Program for Biomolecular Electrostatic Calculations

NASA Astrophysics Data System (ADS)

Vergara-Perez, Sandra; Marucho, Marcelo

2016-01-01

One of the most used and efficient approaches to compute electrostatic properties of biological systems is to numerically solve the Poisson-Boltzmann (PB) equation. There are several software packages available that solve the PB equation for molecules in aqueous electrolyte solutions. Most of these software packages are useful for scientists with specialized training and expertise in computational biophysics. However, the user is usually required to manually take several important choices, depending on the complexity of the biological system, to successfully obtain the numerical solution of the PB equation. This may become an obstacle for researchers, experimentalists, even students with no special training in computational methodologies. Aiming to overcome this limitation, in this article we present MPBEC, a free, cross-platform, open-source software that provides non-experts in the field an easy and efficient way to perform biomolecular electrostatic calculations on single processor computers. MPBEC is a Matlab script based on the Adaptative Poisson-Boltzmann Solver, one of the most popular approaches used to solve the PB equation. MPBEC does not require any user programming, text editing or extensive statistical skills, and comes with detailed user-guide documentation. As a unique feature, MPBEC includes a useful graphical user interface (GUI) application which helps and guides users to configure and setup the optimal parameters and approximations to successfully perform the required biomolecular electrostatic calculations. The GUI also incorporates visualization tools to facilitate users pre- and post-analysis of structural and electrical properties of biomolecules.

MPBEC, a Matlab Program for Biomolecular Electrostatic Calculations

PubMed Central

Vergara-Perez, Sandra; Marucho, Marcelo

2015-01-01

One of the most used and efficient approaches to compute electrostatic properties of biological systems is to numerically solve the Poisson-Boltzmann (PB) equation. There are several software packages available that solve the PB equation for molecules in aqueous electrolyte solutions. Most of these software packages are useful for scientists with specialized training and expertise in computational biophysics. However, the user is usually required to manually take several important choices, depending on the complexity of the biological system, to successfully obtain the numerical solution of the PB equation. This may become an obstacle for researchers, experimentalists, even students with no special training in computational methodologies. Aiming to overcome this limitation, in this article we present MPBEC, a free, cross-platform, open-source software that provides non-experts in the field an easy and efficient way to perform biomolecular electrostatic calculations on single processor computers. MPBEC is a Matlab script based on the Adaptative Poisson Boltzmann Solver, one of the most popular approaches used to solve the PB equation. MPBEC does not require any user programming, text editing or extensive statistical skills, and comes with detailed user-guide documentation. As a unique feature, MPBEC includes a useful graphical user interface (GUI) application which helps and guides users to configure and setup the optimal parameters and approximations to successfully perform the required biomolecular electrostatic calculations. The GUI also incorporates visualization tools to facilitate users pre- and post- analysis of structural and electrical properties of biomolecules. PMID:26924848

MPBEC, a Matlab Program for Biomolecular Electrostatic Calculations.

PubMed

Vergara-Perez, Sandra; Marucho, Marcelo

2016-01-01

One of the most used and efficient approaches to compute electrostatic properties of biological systems is to numerically solve the Poisson-Boltzmann (PB) equation. There are several software packages available that solve the PB equation for molecules in aqueous electrolyte solutions. Most of these software packages are useful for scientists with specialized training and expertise in computational biophysics. However, the user is usually required to manually take several important choices, depending on the complexity of the biological system, to successfully obtain the numerical solution of the PB equation. This may become an obstacle for researchers, experimentalists, even students with no special training in computational methodologies. Aiming to overcome this limitation, in this article we present MPBEC, a free, cross-platform, open-source software that provides non-experts in the field an easy and efficient way to perform biomolecular electrostatic calculations on single processor computers. MPBEC is a Matlab script based on the Adaptative Poisson Boltzmann Solver, one of the most popular approaches used to solve the PB equation. MPBEC does not require any user programming, text editing or extensive statistical skills, and comes with detailed user-guide documentation. As a unique feature, MPBEC includes a useful graphical user interface (GUI) application which helps and guides users to configure and setup the optimal parameters and approximations to successfully perform the required biomolecular electrostatic calculations. The GUI also incorporates visualization tools to facilitate users pre- and post- analysis of structural and electrical properties of biomolecules.

Electric-field-induced shape transition of nematic tactoids

NASA Astrophysics Data System (ADS)

Metselaar, Luuk; Dozov, Ivan; Antonova, Krassimira; Belamie, Emmanuel; Davidson, Patrick; Yeomans, Julia M.; Doostmohammadi, Amin

2017-08-01

The occurrence of new textures of liquid crystals is an important factor in tuning their optical and photonics properties. Here, we show, both experimentally and by numerical computation, that under an electric field chitin tactoids (i.e., nematic droplets) can stretch to aspect ratios of more than 15, leading to a transition from a spindlelike to a cigarlike shape. We argue that the large extensions occur because the elastic contribution to the free energy is dominated by the anchoring. We demonstrate that the elongation involves hydrodynamic flow and is reversible: the tactoids return to their original shapes upon removing the field.

IMAGES: An interactive image processing system

NASA Technical Reports Server (NTRS)

Jensen, J. R.

1981-01-01

The IMAGES interactive image processing system was created specifically for undergraduate remote sensing education in geography. The system is interactive, relatively inexpensive to operate, almost hardware independent, and responsive to numerous users at one time in a time-sharing mode. Most important, it provides a medium whereby theoretical remote sensing principles discussed in lecture may be reinforced in laboratory as students perform computer-assisted image processing. In addition to its use in academic and short course environments, the system has also been used extensively to conduct basic image processing research. The flow of information through the system is discussed including an overview of the programs.

Research in applied mathematics, numerical analysis, and computer science

NASA Technical Reports Server (NTRS)

1984-01-01

Research conducted at the Institute for Computer Applications in Science and Engineering (ICASE) in applied mathematics, numerical analysis, and computer science is summarized and abstracts of published reports are presented. The major categories of the ICASE research program are: (1) numerical methods, with particular emphasis on the development and analysis of basic numerical algorithms; (2) control and parameter identification; (3) computational problems in engineering and the physical sciences, particularly fluid dynamics, acoustics, and structural analysis; and (4) computer systems and software, especially vector and parallel computers.

Reactive transport modeling in the subsurface environment with OGS-IPhreeqc

NASA Astrophysics Data System (ADS)

He, Wenkui; Beyer, Christof; Fleckenstein, Jan; Jang, Eunseon; Kalbacher, Thomas; Naumov, Dimitri; Shao, Haibing; Wang, Wenqing; Kolditz, Olaf

2015-04-01

Worldwide, sustainable water resource management becomes an increasingly challenging task due to the growth of population and extensive applications of fertilizer in agriculture. Moreover, climate change causes further stresses to both water quantity and quality. Reactive transport modeling in the coupled soil-aquifer system is a viable approach to assess the impacts of different land use and groundwater exploitation scenarios on the water resources. However, the application of this approach is usually limited in spatial scale and to simplified geochemical systems due to the huge computational expense involved. Such computational expense is not only caused by solving the high non-linearity of the initial boundary value problems of water flow in the unsaturated zone numerically with rather fine spatial and temporal discretization for the correct mass balance and numerical stability, but also by the intensive computational task of quantifying geochemical reactions. In the present study, a flexible and efficient tool for large scale reactive transport modeling in variably saturated porous media and its applications are presented. The open source scientific software OpenGeoSys (OGS) is coupled with the IPhreeqc module of the geochemical solver PHREEQC. The new coupling approach makes full use of advantages from both codes: OGS provides a flexible choice of different numerical approaches for simulation of water flow in the vadose zone such as the pressure-based or mixed forms of Richards equation; whereas the IPhreeqc module leads to a simplification of data storage and its communication with OGS, which greatly facilitates the coupling and code updating. Moreover, a parallelization scheme with MPI (Message Passing Interface) is applied, in which the computational task of water flow and mass transport is partitioned through domain decomposition, whereas the efficient parallelization of geochemical reactions is achieved by smart allocation of computational workload over multiple compute nodes. The plausibility of the new coupling is verified by several benchmark tests. In addition, the efficiency of the new coupling approach is demonstrated by its application in a large scale scenario, in which the environmental fate of pesticides in a complex soil-aquifer system is studied.

Reactive transport modeling in variably saturated porous media with OGS-IPhreeqc

NASA Astrophysics Data System (ADS)

He, W.; Beyer, C.; Fleckenstein, J. H.; Jang, E.; Kalbacher, T.; Shao, H.; Wang, W.; Kolditz, O.

2014-12-01

Worldwide, sustainable water resource management becomes an increasingly challenging task due to the growth of population and extensive applications of fertilizer in agriculture. Moreover, climate change causes further stresses to both water quantity and quality. Reactive transport modeling in the coupled soil-aquifer system is a viable approach to assess the impacts of different land use and groundwater exploitation scenarios on the water resources. However, the application of this approach is usually limited in spatial scale and to simplified geochemical systems due to the huge computational expense involved. Such computational expense is not only caused by solving the high non-linearity of the initial boundary value problems of water flow in the unsaturated zone numerically with rather fine spatial and temporal discretization for the correct mass balance and numerical stability, but also by the intensive computational task of quantifying geochemical reactions. In the present study, a flexible and efficient tool for large scale reactive transport modeling in variably saturated porous media and its applications are presented. The open source scientific software OpenGeoSys (OGS) is coupled with the IPhreeqc module of the geochemical solver PHREEQC. The new coupling approach makes full use of advantages from both codes: OGS provides a flexible choice of different numerical approaches for simulation of water flow in the vadose zone such as the pressure-based or mixed forms of Richards equation; whereas the IPhreeqc module leads to a simplification of data storage and its communication with OGS, which greatly facilitates the coupling and code updating. Moreover, a parallelization scheme with MPI (Message Passing Interface) is applied, in which the computational task of water flow and mass transport is partitioned through domain decomposition, whereas the efficient parallelization of geochemical reactions is achieved by smart allocation of computational workload over multiple compute nodes. The plausibility of the new coupling is verified by several benchmark tests. In addition, the efficiency of the new coupling approach is demonstrated by its application in a large scale scenario, in which the environmental fate of pesticides in a complex soil-aquifer system is studied.

Aerodynamic sound of flow past an airfoil

NASA Technical Reports Server (NTRS)

Wang, Meng

1995-01-01

The long term objective of this project is to develop a computational method for predicting the noise of turbulence-airfoil interactions, particularly at the trailing edge. We seek to obtain the energy-containing features of the turbulent boundary layers and the near-wake using Navier-Stokes Simulation (LES or DNS), and then to calculate the far-field acoustic characteristics by means of acoustic analogy theories, using the simulation data as acoustic source functions. Two distinct types of noise can be emitted from airfoil trailing edges. The first, a tonal or narrowband sound caused by vortex shedding, is normally associated with blunt trailing edges, high angles of attack, or laminar flow airfoils. The second source is of broadband nature arising from the aeroacoustic scattering of turbulent eddies by the trailing edge. Due to its importance to airframe noise, rotor and propeller noise, etc., trailing edge noise has been the subject of extensive theoretical (e.g. Crighton & Leppington 1971; Howe 1978) as well as experimental investigations (e.g. Brooks & Hodgson 1981; Blake & Gershfeld 1988). A number of challenges exist concerning acoustic analogy based noise computations. These include the elimination of spurious sound caused by vortices crossing permeable computational boundaries in the wake, the treatment of noncompact source regions, and the accurate description of wave reflection by the solid surface and scattering near the edge. In addition, accurate turbulence statistics in the flow field are required for the evaluation of acoustic source functions. Major efforts to date have been focused on the first two challenges. To this end, a paradigm problem of laminar vortex shedding, generated by a two dimensional, uniform stream past a NACA0012 airfoil, is used to address the relevant numerical issues. Under the low Mach number approximation, the near-field flow quantities are obtained by solving the incompressible Navier-Stokes equations numerically at chord Reynolds number of 104. The far-field noise is computed using Curle's extension to the Lighthill analogy (Curle 1955). An effective method for separating the physical noise source from spurious boundary contributions is developed. This allows an accurate evaluation of the Reynolds stress volume quadrupoles, in addition to the more readily computable surface dipoles due to the unsteady lift and drag. The effect of noncompact source distribution on the far-field sound is assessed using an efficient integration scheme for the Curle integral, with full account of retarded-time variations. The numerical results confirm in quantitative terms that the far-field sound is dominated by the surface pressure dipoles at low Mach number. The techniques developed are applicable to a wide range of flows, including jets and mixing layers, where the Reynolds stress quadrupoles play a prominent or even dominant role in the overall sound generation.

INTEGRATION OF PARTICLE-GAS SYSTEMS WITH STIFF MUTUAL DRAG INTERACTION

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

Yang, Chao-Chin; Johansen, Anders, E-mail: ccyang@astro.lu.se, E-mail: anders@astro.lu.se

2016-06-01

Numerical simulation of numerous mm/cm-sized particles embedded in a gaseous disk has become an important tool in the study of planet formation and in understanding the dust distribution in observed protoplanetary disks. However, the mutual drag force between the gas and the particles can become so stiff—particularly because of small particles and/or strong local solid concentration—that an explicit integration of this system is computationally formidable. In this work, we consider the integration of the mutual drag force in a system of Eulerian gas and Lagrangian solid particles. Despite the entanglement between the gas and the particles under the particle-mesh construct,more » we are able to devise a numerical algorithm that effectively decomposes the globally coupled system of equations for the mutual drag force, and makes it possible to integrate this system on a cell-by-cell basis, which considerably reduces the computational task required. We use an analytical solution for the temporal evolution of each cell to relieve the time-step constraint posed by the mutual drag force, as well as to achieve the highest degree of accuracy. To validate our algorithm, we use an extensive suite of benchmarks with known solutions in one, two, and three dimensions, including the linear growth and the nonlinear saturation of the streaming instability. We demonstrate numerical convergence and satisfactory consistency in all cases. Our algorithm can, for example, be applied to model the evolution of the streaming instability with mm/cm-sized pebbles at high mass loading, which has important consequences for the formation scenarios of planetesimals.« less

Early MIMD experience on the CRAY X-MP

NASA Astrophysics Data System (ADS)

Rhoades, Clifford E.; Stevens, K. G.

1985-07-01

This paper describes some early experience with converting four physics simulation programs to the CRAY X-MP, a current Multiple Instruction, Multiple Data (MIMD) computer consisting of two processors each with an architecture similar to that of the CRAY-1. As a multi-processor, the CRAY X-MP together with the high speed Solid-state Storage Device (SSD) in an ideal machine upon which to study MIMD algorithms for solving the equations of mathematical physics because it is fast enough to run real problems. The computer programs used in this study are all FORTRAN versions of original production codes. They range in sophistication from a one-dimensional numerical simulation of collisionless plasma to a two-dimensional hydrodynamics code with heat flow to a couple of three-dimensional fluid dynamics codes with varying degrees of viscous modeling. Early research with a dual processor configuration has shown speed-ups ranging from 1.55 to 1.98. It has been observed that a few simple extensions to FORTRAN allow a typical programmer to achieve a remarkable level of efficiency. These extensions involve the concept of memory local to a concurrent subprogram and memory common to all concurrent subprograms.

Imaging a non-singular rotating black hole at the center of the Galaxy

NASA Astrophysics Data System (ADS)

Lamy, F.; Gourgoulhon, E.; Paumard, T.; Vincent, F. H.

2018-06-01

We show that the rotating generalization of Hayward’s non-singular black hole previously studied in the literature is geodesically incomplete, and that its straightforward extension leads to a singular spacetime. We present another extension, which is devoid of any curvature singularity. The obtained metric depends on three parameters and, depending on their values, yields an event horizon or not. These two regimes, named respectively regular rotating Hayward black hole and naked rotating wormhole, are studied both numerically and analytically. In preparation for the upcoming results of the Event Horizon Telescope, the images of an accretion torus around Sgr A*, the supermassive object at the center of the Galaxy, are computed. These images contain, even in the absence of a horizon, a central faint region which bears a resemblance to the shadow of Kerr black holes and emphasizes the difficulty of claiming the existence of an event horizon from the analysis of strong-field images. The frequencies of the co- and contra-rotating orbits at the innermost stable circular orbit (ISCO) in this geometry are also computed, in the hope that quasi-periodic oscillations may permit to compare this model with Kerr’s black hole on observational grounds.

10 CFR 76.74 - Computation and extension of time.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 2 2011-01-01 2011-01-01 false Computation and extension of time. 76.74 Section 76.74 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) CERTIFICATION OF GASEOUS DIFFUSION PLANTS Certification § 76.74 Computation and extension of time. (a) In computing any period of time, the day of the act...

10 CFR 76.74 - Computation and extension of time.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 2 2012-01-01 2012-01-01 false Computation and extension of time. 76.74 Section 76.74 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) CERTIFICATION OF GASEOUS DIFFUSION PLANTS Certification § 76.74 Computation and extension of time. (a) In computing any period of time, the day of the act...

10 CFR 76.74 - Computation and extension of time.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 2 2013-01-01 2013-01-01 false Computation and extension of time. 76.74 Section 76.74 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) CERTIFICATION OF GASEOUS DIFFUSION PLANTS Certification § 76.74 Computation and extension of time. (a) In computing any period of time, the day of the act...

10 CFR 76.74 - Computation and extension of time.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 2 2010-01-01 2010-01-01 false Computation and extension of time. 76.74 Section 76.74 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) CERTIFICATION OF GASEOUS DIFFUSION PLANTS Certification § 76.74 Computation and extension of time. (a) In computing any period of time, the day of the act...

10 CFR 76.74 - Computation and extension of time.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 2 2014-01-01 2014-01-01 false Computation and extension of time. 76.74 Section 76.74 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) CERTIFICATION OF GASEOUS DIFFUSION PLANTS Certification § 76.74 Computation and extension of time. (a) In computing any period of time, the day of the act...

Solving Fuzzy Fractional Differential Equations Using Zadeh's Extension Principle

PubMed Central

Ahmad, M. Z.; Hasan, M. K.; Abbasbandy, S.

2013-01-01

We study a fuzzy fractional differential equation (FFDE) and present its solution using Zadeh's extension principle. The proposed study extends the case of fuzzy differential equations of integer order. We also propose a numerical method to approximate the solution of FFDEs. To solve nonlinear problems, the proposed numerical method is then incorporated into an unconstrained optimisation technique. Several numerical examples are provided. PMID:24082853

Numerical simulation and validation of helicopter blade-vortex interaction using coupled CFD/CSD and three levels of aerodynamic modeling

NASA Astrophysics Data System (ADS)

Amiraux, Mathieu

Rotorcraft Blade-Vortex Interaction (BVI) remains one of the most challenging flow phenomenon to simulate numerically. Over the past decade, the HART-II rotor test and its extensive experimental dataset has been a major database for validation of CFD codes. Its strong BVI signature, with high levels of intrusive noise and vibrations, makes it a difficult test for computational methods. The main challenge is to accurately capture and preserve the vortices which interact with the rotor, while predicting correct blade deformations and loading. This doctoral dissertation presents the application of a coupled CFD/CSD methodology to the problem of helicopter BVI and compares three levels of fidelity for aerodynamic modeling: a hybrid lifting-line/free-wake (wake coupling) method, with modified compressible unsteady model; a hybrid URANS/free-wake method; and a URANS-based wake capturing method, using multiple overset meshes to capture the entire flow field. To further increase numerical correlation, three helicopter fuselage models are implemented in the framework. The first is a high resolution 3D GPU panel code; the second is an immersed boundary based method, with 3D elliptic grid adaption; the last one uses a body-fitted, curvilinear fuselage mesh. The main contribution of this work is the implementation and systematic comparison of multiple numerical methods to perform BVI modeling. The trade-offs between solution accuracy and computational cost are highlighted for the different approaches. Various improvements have been made to each code to enhance physical fidelity, while advanced technologies, such as GPU computing, have been employed to increase efficiency. The resulting numerical setup covers all aspects of the simulation creating a truly multi-fidelity and multi-physics framework. Overall, the wake capturing approach showed the best BVI phasing correlation and good blade deflection predictions, with slightly under-predicted aerodynamic loading magnitudes. However, it proved to be much more expensive than the other two methods. Wake coupling with RANS solver had very good loading magnitude predictions, and therefore good acoustic intensities, with acceptable computational cost. The lifting-line based technique often had over-predicted aerodynamic levels, due to the degree of empiricism of the model, but its very short run-times, thanks to GPU technology, makes it a very attractive approach.

Numerical study of the flow in a three-dimensional thermally driven cavity

NASA Astrophysics Data System (ADS)

Rauwoens, Pieter; Vierendeels, Jan; Merci, Bart

2008-06-01

Solutions for the fully compressible Navier-Stokes equations are presented for the flow and temperature fields in a cubic cavity with large horizontal temperature differences. The ideal-gas approximation for air is assumed and viscosity is computed using Sutherland's law. The three-dimensional case forms an extension of previous studies performed on a two-dimensional square cavity. The influence of imposed boundary conditions in the third dimension is investigated as a numerical experiment. Comparison is made between convergence rates in case of periodic and free-slip boundary conditions. Results with no-slip boundary conditions are presented as well. The effect of the Rayleigh number is studied. Results are computed using a finite volume method on a structured, collocated grid. An explicit third-order discretization for the convective part and an implicit central discretization for the acoustic part and for the diffusive part are used. To stabilize the scheme an artificial dissipation term for the pressure and the temperature is introduced. The discrete equations are solved using a time-marching method with restrictions on the timestep corresponding to the explicit parts of the solver. Multigrid is used as acceleration technique.

ExGUtils: A Python Package for Statistical Analysis With the ex-Gaussian Probability Density.

PubMed

Moret-Tatay, Carmen; Gamermann, Daniel; Navarro-Pardo, Esperanza; Fernández de Córdoba Castellá, Pedro

2018-01-01

The study of reaction times and their underlying cognitive processes is an important field in Psychology. Reaction times are often modeled through the ex-Gaussian distribution, because it provides a good fit to multiple empirical data. The complexity of this distribution makes the use of computational tools an essential element. Therefore, there is a strong need for efficient and versatile computational tools for the research in this area. In this manuscript we discuss some mathematical details of the ex-Gaussian distribution and apply the ExGUtils package, a set of functions and numerical tools, programmed for python, developed for numerical analysis of data involving the ex-Gaussian probability density. In order to validate the package, we present an extensive analysis of fits obtained with it, discuss advantages and differences between the least squares and maximum likelihood methods and quantitatively evaluate the goodness of the obtained fits (which is usually an overlooked point in most literature in the area). The analysis done allows one to identify outliers in the empirical datasets and criteriously determine if there is a need for data trimming and at which points it should be done.

Upwind schemes and bifurcating solutions in real gas computations

NASA Technical Reports Server (NTRS)

Suresh, Ambady; Liou, Meng-Sing

1992-01-01

The area of high speed flow is seeing a renewed interest due to advanced propulsion concepts such as the National Aerospace Plane (NASP), Space Shuttle, and future civil transport concepts. Upwind schemes to solve such flows have become increasingly popular in the last decade due to their excellent shock capturing properties. In the first part of this paper the authors present the extension of the Osher scheme to equilibrium and non-equilibrium gases. For simplicity, the source terms are treated explicitly. Computations based on the above scheme are presented to demonstrate the feasibility, accuracy and efficiency of the proposed scheme. One of the test problems is a Chapman-Jouguet detonation problem for which numerical solutions have been known to bifurcate into spurious weak detonation solutions on coarse grids. Results indicate that the numerical solution obtained depends both on the upwinding scheme used and the limiter employed to obtain second order accuracy. For example, the Osher scheme gives the correct CJ solution when the super-bee limiter is used, but gives the spurious solution when the Van Leer limiter is used. With the Roe scheme the spurious solution is obtained for all limiters.

ExGUtils: A Python Package for Statistical Analysis With the ex-Gaussian Probability Density

PubMed Central

Moret-Tatay, Carmen; Gamermann, Daniel; Navarro-Pardo, Esperanza; Fernández de Córdoba Castellá, Pedro

2018-01-01

The study of reaction times and their underlying cognitive processes is an important field in Psychology. Reaction times are often modeled through the ex-Gaussian distribution, because it provides a good fit to multiple empirical data. The complexity of this distribution makes the use of computational tools an essential element. Therefore, there is a strong need for efficient and versatile computational tools for the research in this area. In this manuscript we discuss some mathematical details of the ex-Gaussian distribution and apply the ExGUtils package, a set of functions and numerical tools, programmed for python, developed for numerical analysis of data involving the ex-Gaussian probability density. In order to validate the package, we present an extensive analysis of fits obtained with it, discuss advantages and differences between the least squares and maximum likelihood methods and quantitatively evaluate the goodness of the obtained fits (which is usually an overlooked point in most literature in the area). The analysis done allows one to identify outliers in the empirical datasets and criteriously determine if there is a need for data trimming and at which points it should be done. PMID:29765345

Efficient numerical methods for the random-field Ising model: Finite-size scaling, reweighting extrapolation, and computation of response functions.

PubMed

Fytas, Nikolaos G; Martín-Mayor, Víctor

2016-06-01

It was recently shown [Phys. Rev. Lett. 110, 227201 (2013)PRLTAO0031-900710.1103/PhysRevLett.110.227201] that the critical behavior of the random-field Ising model in three dimensions is ruled by a single universality class. This conclusion was reached only after a proper taming of the large scaling corrections of the model by applying a combined approach of various techniques, coming from the zero- and positive-temperature toolboxes of statistical physics. In the present contribution we provide a detailed description of this combined scheme, explaining in detail the zero-temperature numerical scheme and developing the generalized fluctuation-dissipation formula that allowed us to compute connected and disconnected correlation functions of the model. We discuss the error evolution of our method and we illustrate the infinite limit-size extrapolation of several observables within phenomenological renormalization. We present an extension of the quotients method that allows us to obtain estimates of the critical exponent α of the specific heat of the model via the scaling of the bond energy and we discuss the self-averaging properties of the system and the algorithmic aspects of the maximum-flow algorithm used.

A Finite-Volume approach for compressible single- and two-phase flows in flexible pipelines with fluid-structure interaction

NASA Astrophysics Data System (ADS)

Daude, F.; Galon, P.

2018-06-01

A Finite-Volume scheme for the numerical computations of compressible single- and two-phase flows in flexible pipelines is proposed based on an approximate Godunov-type approach. The spatial discretization is here obtained using the HLLC scheme. In addition, the numerical treatment of abrupt changes in area and network including several pipelines connected at junctions is also considered. The proposed approach is based on the integral form of the governing equations making it possible to tackle general equations of state. A coupled approach for the resolution of fluid-structure interaction of compressible fluid flowing in flexible pipes is considered. The structural problem is solved using Euler-Bernoulli beam finite elements. The present Finite-Volume method is applied to ideal gas and two-phase steam-water based on the Homogeneous Equilibrium Model (HEM) in conjunction with a tabulated equation of state in order to demonstrate its ability to tackle general equations of state. The extensive application of the scheme for both shock tube and other transient flow problems demonstrates its capability to resolve such problems accurately and robustly. Finally, the proposed 1-D fluid-structure interaction model appears to be computationally efficient.

Robust and Simple Non-Reflecting Boundary Conditions for the Euler Equations - A New Approach based on the Space-Time CE/SE Method

NASA Technical Reports Server (NTRS)

Chang, S.-C.; Himansu, A.; Loh, C.-Y.; Wang, X.-Y.; Yu, S.-T.J.

2005-01-01

This paper reports on a significant advance in the area of nonreflecting boundary conditions (NRBCs) for unsteady flow computations. As a part of t he development of t he space-time conservation element and solution element (CE/SE) method, sets of NRBCs for 1D Euler problems are developed without using any characteristics- based techniques. These conditions are much simpler than those commonly reported in the literature, yet so robust that they are applicable to subsonic, transonic and supersonic flows even in the presence of discontinuities. In addition, the straightforward multidimensional extensions of the present 1D NRBCs have been shown numerically to be equally simple and robust. The paper details the theoretical underpinning of these NRBCs, and explains t heir unique robustness and accuracy in terms of t he conservation of space-time fluxes. Some numerical results for an extended Sod's shock-tube problem, illustrating the effectiveness of the present NRBCs are included, together with an associated simple Fortran computer program. As a preliminary to the present development, a review of the basic CE/SE schemes is also included.

Droplet evaporation and combustion in a liquid-gas multiphase system

NASA Astrophysics Data System (ADS)

Muradoglu, Metin; Irfan, Muhammad

2017-11-01

Droplet evaporation and combustion in a liquid-gas multiphase system are studied computationally using a front-tracking method. One field formulation is used to solve the flow, energy and species equations with suitable jump conditions. Both phases are assumed to be incompressible; however, the divergence-free velocity field condition is modified to account for the phase change at the interface. Both temperature and species gradient driven phase change processes are simulated. Extensive validation studies are performed using the benchmark cases: The Stefan and the sucking interface problems, d2 law and wet bulb temperature comparison with the psychrometric chart values. The phase change solver is then extended to incorporate the burning process following the evaporation as a first step towards the development of a computational framework for spray combustion. We used detailed chemistry, variable transport properties and ideal gas behaviour for a n-heptane droplet combustion; the chemical kinetics being handled by the CHEMKIN. An operator-splitting approach is used to advance temperature and species mass fraction in time. The numerical results of the droplet burning rate, flame temperature and flame standoff ratio show good agreement with the experimental and previous numeric.

Development of iterative techniques for the solution of unsteady compressible viscous flows

NASA Technical Reports Server (NTRS)

Hixon, Duane; Sankar, L. N.

1993-01-01

During the past two decades, there has been significant progress in the field of numerical simulation of unsteady compressible viscous flows. At present, a variety of solution techniques exist such as the transonic small disturbance analyses (TSD), transonic full potential equation-based methods, unsteady Euler solvers, and unsteady Navier-Stokes solvers. These advances have been made possible by developments in three areas: (1) improved numerical algorithms; (2) automation of body-fitted grid generation schemes; and (3) advanced computer architectures with vector processing and massively parallel processing features. In this work, the GMRES scheme has been considered as a candidate for acceleration of a Newton iteration time marching scheme for unsteady 2-D and 3-D compressible viscous flow calculation; from preliminary calculations, this will provide up to a 65 percent reduction in the computer time requirements over the existing class of explicit and implicit time marching schemes. The proposed method has ben tested on structured grids, but is flexible enough for extension to unstructured grids. The described scheme has been tested only on the current generation of vector processor architecture of the Cray Y/MP class, but should be suitable for adaptation to massively parallel machines.

Studies of Inviscid Flux Schemes for Acoustics and Turbulence Problems

NASA Technical Reports Server (NTRS)

Morris, C. I.

2013-01-01

The last two decades have witnessed tremendous growth in computational power, the development of computational fluid dynamics (CFD) codes which scale well over thousands of processors, and the refinement of unstructured grid-generation tools which facilitate rapid surface and volume gridding of complex geometries. Thus, engineering calculations of 10(exp 7) - 10(exp 8) finite-volume cells have become routine for some types of problems. Although the Reynolds Averaged Navier Stokes (RANS) approach to modeling turbulence is still in extensive and wide use, increasingly large-eddy simulation (LES) and hybrid RANS-LES approaches are being applied to resolve the largest scales of turbulence in many engineering problems. However, it has also become evident that LES places different requirements on the numerical approaches for both the spatial and temporal discretization of the Navier Stokes equations than does RANS. In particular, LES requires high time accuracy and minimal intrinsic numerical dispersion and dissipation over a wide spectral range. In this paper, the performance of both central-difference and upwind-biased spatial discretizations is examined for a one-dimensional acoustic standing wave problem, the Taylor-Green vortex problem, and the turbulent channel fl ow problem.

Studies of Inviscid Flux Schemes for Acoustics and Turbulence Problems

NASA Technical Reports Server (NTRS)

Morris, Christopher I.

2013-01-01

The last two decades have witnessed tremendous growth in computational power, the development of computational fluid dynamics (CFD) codes which scale well over thousands of processors, and the refinement of unstructured grid-generation tools which facilitate rapid surface and volume gridding of complex geometries. Thus, engineering calculations of 10(exp 7) - 10(exp 8) finite-volume cells have become routine for some types of problems. Although the Reynolds Averaged Navier Stokes (RANS) approach to modeling turbulence is still in extensive and wide use, increasingly large-eddy simulation (LES) and hybrid RANS-LES approaches are being applied to resolve the largest scales of turbulence in many engineering problems. However, it has also become evident that LES places different requirements on the numerical approaches for both the spatial and temporal discretization of the Navier Stokes equations than does RANS. In particular, LES requires high time accuracy and minimal intrinsic numerical dispersion and dissipation over a wide spectral range. In this paper, the performance of both central-difference and upwind-biased spatial discretizations is examined for a one-dimensional acoustic standing wave problem, the Taylor-Green vortex problem, and the turbulent channel ow problem.

On dynamics of integrate-and-fire neural networks with conductance based synapses.

PubMed

Cessac, Bruno; Viéville, Thierry

2008-01-01

We present a mathematical analysis of networks with integrate-and-fire (IF) neurons with conductance based synapses. Taking into account the realistic fact that the spike time is only known within some finite precision, we propose a model where spikes are effective at times multiple of a characteristic time scale delta, where delta can be arbitrary small (in particular, well beyond the numerical precision). We make a complete mathematical characterization of the model-dynamics and obtain the following results. The asymptotic dynamics is composed by finitely many stable periodic orbits, whose number and period can be arbitrary large and can diverge in a region of the synaptic weights space, traditionally called the "edge of chaos", a notion mathematically well defined in the present paper. Furthermore, except at the edge of chaos, there is a one-to-one correspondence between the membrane potential trajectories and the raster plot. This shows that the neural code is entirely "in the spikes" in this case. As a key tool, we introduce an order parameter, easy to compute numerically, and closely related to a natural notion of entropy, providing a relevant characterization of the computational capabilities of the network. This allows us to compare the computational capabilities of leaky and IF models and conductance based models. The present study considers networks with constant input, and without time-dependent plasticity, but the framework has been designed for both extensions.

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

McNamara, B.

Tandem and stellarator equilibria at high ..beta.. have proved hard to compute and the relaxation methods of Bauer et al., Chodura and Schluter, Hirshman, Strauss, and Pearlstein et al. have been slow to converge. This paper reports an extension of the low-..beta.. analytic method of Pearlstein, Kaiser, and Newcomb to arbitrary ..beta.. for tandem mirrors which converges in 10 to 20 iterations. Extensions of the method to stellarator equilibria are proposed and are very close to the analytic method of Johnson and Greene - the stellarator expansion. Most of the results of all these calculations can be adequately described bymore » low-..beta.. approximations since the MHD stability limits occur at low ..beta... The tandem mirror, having weak curvature and a long central cell, allows finite Larmor radius effects to eliminate most ballooning modes and offers the possibility of really high average ..beta... This is the interest in developing such three-dimensional numerical algorithms.« less

A software architecture for multidisciplinary applications: Integrating task and data parallelism

NASA Technical Reports Server (NTRS)

Chapman, Barbara; Mehrotra, Piyush; Vanrosendale, John; Zima, Hans

1994-01-01

Data parallel languages such as Vienna Fortran and HPF can be successfully applied to a wide range of numerical applications. However, many advanced scientific and engineering applications are of a multidisciplinary and heterogeneous nature and thus do not fit well into the data parallel paradigm. In this paper we present new Fortran 90 language extensions to fill this gap. Tasks can be spawned as asynchronous activities in a homogeneous or heterogeneous computing environment; they interact by sharing access to Shared Data Abstractions (SDA's). SDA's are an extension of Fortran 90 modules, representing a pool of common data, together with a set of Methods for controlled access to these data and a mechanism for providing persistent storage. Our language supports the integration of data and task parallelism as well as nested task parallelism and thus can be used to express multidisciplinary applications in a natural and efficient way.

Integrated Multiregional Analysis Proposing a New Model of Colorectal Cancer Evolution.

PubMed

Uchi, Ryutaro; Takahashi, Yusuke; Niida, Atsushi; Shimamura, Teppei; Hirata, Hidenari; Sugimachi, Keishi; Sawada, Genta; Iwaya, Takeshi; Kurashige, Junji; Shinden, Yoshiaki; Iguchi, Tomohiro; Eguchi, Hidetoshi; Chiba, Kenichi; Shiraishi, Yuichi; Nagae, Genta; Yoshida, Kenichi; Nagata, Yasunobu; Haeno, Hiroshi; Yamamoto, Hirofumi; Ishii, Hideshi; Doki, Yuichiro; Iinuma, Hisae; Sasaki, Shin; Nagayama, Satoshi; Yamada, Kazutaka; Yachida, Shinichi; Kato, Mamoru; Shibata, Tatsuhiro; Oki, Eiji; Saeki, Hiroshi; Shirabe, Ken; Oda, Yoshinao; Maehara, Yoshihiko; Komune, Shizuo; Mori, Masaki; Suzuki, Yutaka; Yamamoto, Ken; Aburatani, Hiroyuki; Ogawa, Seishi; Miyano, Satoru; Mimori, Koshi

2016-02-01

Understanding intratumor heterogeneity is clinically important because it could cause therapeutic failure by fostering evolutionary adaptation. To this end, we profiled the genome and epigenome in multiple regions within each of nine colorectal tumors. Extensive intertumor heterogeneity is observed, from which we inferred the evolutionary history of the tumors. First, clonally shared alterations appeared, in which C>T transitions at CpG site and CpG island hypermethylation were relatively enriched. Correlation between mutation counts and patients' ages suggests that the early-acquired alterations resulted from aging. In the late phase, a parental clone was branched into numerous subclones. Known driver alterations were observed frequently in the early-acquired alterations, but rarely in the late-acquired alterations. Consistently, our computational simulation of the branching evolution suggests that extensive intratumor heterogeneity could be generated by neutral evolution. Collectively, we propose a new model of colorectal cancer evolution, which is useful for understanding and confronting this heterogeneous disease.

An Overview of R in Health Decision Sciences.

PubMed

Jalal, Hawre; Pechlivanoglou, Petros; Krijkamp, Eline; Alarid-Escudero, Fernando; Enns, Eva; Hunink, M G Myriam

2017-10-01

As the complexity of health decision science applications increases, high-level programming languages are increasingly adopted for statistical analyses and numerical computations. These programming languages facilitate sophisticated modeling, model documentation, and analysis reproducibility. Among the high-level programming languages, the statistical programming framework R is gaining increased recognition. R is freely available, cross-platform compatible, and open source. A large community of users who have generated an extensive collection of well-documented packages and functions supports it. These functions facilitate applications of health decision science methodology as well as the visualization and communication of results. Although R's popularity is increasing among health decision scientists, methodological extensions of R in the field of decision analysis remain isolated. The purpose of this article is to provide an overview of existing R functionality that is applicable to the various stages of decision analysis, including model design, input parameter estimation, and analysis of model outputs.

Summary of research in applied mathematics, numerical analysis, and computer sciences

NASA Technical Reports Server (NTRS)

1986-01-01

The major categories of current ICASE research programs addressed include: numerical methods, with particular emphasis on the development and analysis of basic numerical algorithms; control and parameter identification problems, with emphasis on effective numerical methods; computational problems in engineering and physical sciences, particularly fluid dynamics, acoustics, and structural analysis; and computer systems and software, especially vector and parallel computers.

A Practical Engineering Approach to Predicting Fatigue Crack Growth in Riveted Lap Joints

NASA Technical Reports Server (NTRS)

Harris, Charles E.; Piascik, Robert S.; Newman, James C., Jr.

1999-01-01

An extensive experimental database has been assembled from very detailed teardown examinations of fatigue cracks found in rivet holes of fuselage structural components. Based on this experimental database, a comprehensive analysis methodology was developed to predict the onset of widespread fatigue damage in lap joints of fuselage structure. Several computer codes were developed with specialized capabilities to conduct the various analyses that make up the comprehensive methodology. Over the past several years, the authors have interrogated various aspects of the analysis methods to determine the degree of computational rigor required to produce numerical predictions with acceptable engineering accuracy. This study led to the formulation of a practical engineering approach to predicting fatigue crack growth in riveted lap joints. This paper describes the practical engineering approach and compares predictions with the results from several experimental studies.

A Practical Engineering Approach to Predicting Fatigue Crack Growth in Riveted Lap Joints

NASA Technical Reports Server (NTRS)

Harris, C. E.; Piascik, R. S.; Newman, J. C., Jr.

2000-01-01

An extensive experimental database has been assembled from very detailed teardown examinations of fatigue cracks found in rivet holes of fuselage structural components. Based on this experimental database, a comprehensive analysis methodology was developed to predict the onset of widespread fatigue damage in lap joints of fuselage structure. Several computer codes were developed with specialized capabilities to conduct the various analyses that make up the comprehensive methodology. Over the past several years, the authors have interrogated various aspects of the analysis methods to determine the degree of computational rigor required to produce numerical predictions with acceptable engineering accuracy. This study led to the formulation of a practical engineering approach to predicting fatigue crack growth in riveted lap joints. This paper describes the practical engineering approach and compares predictions with the results from several experimental studies.

Multitask neurovision processor with extensive feedback and feedforward connections

NASA Astrophysics Data System (ADS)

Gupta, Madan M.; Knopf, George K.

1991-11-01

A multi-task neuro-vision parameter which performs a variety of information processing operations associated with the early stages of biological vision is presented. The network architecture of this neuro-vision processor, called the positive-negative (PN) neural processor, is loosely based on the neural activity fields exhibited by thalamic and cortical nervous tissue layers. The computational operation performed by the processor arises from the strength of the recurrent feedback among the numerous positive and negative neural computing units. By adjusting the feedback connections it is possible to generate diverse dynamic behavior that may be used for short-term visual memory (STVM), spatio-temporal filtering (STF), and pulse frequency modulation (PFM). The information attributes that are to be processes may be regulated by modifying the feedforward connections from the signal space to the neural processor.

Numerical modelling in friction lap joining of aluminium alloy and carbon-fiber-reinforced-plastic sheets

NASA Astrophysics Data System (ADS)

Das, A.; Bang, H. S.; Bang, H. S.

2018-05-01

Multi-material combinations of aluminium alloy and carbon-fiber-reinforced-plastics (CFRP) have gained attention in automotive and aerospace industries to enhance fuel efficiency and strength-to-weight ratio of components. Various limitations of laser beam welding, adhesive bonding and mechanical fasteners make these processes inefficient to join metal and CFRP sheets. Friction lap joining is an alternative choice for the same. Comprehensive studies in friction lap joining of aluminium to CFRP sheets are essential and scare in the literature. The present work reports a combined theoretical and experimental study in joining of AA5052 and CFRP sheets using friction lap joining process. A three-dimensional finite element based heat transfer model is developed to compute the temperature fields and thermal cycles. The computed results are validated extensively with the corresponding experimentally measured results.

An empirically derived basis for calculating the area, rate, and distribution of water-drop impingement on airfoils

NASA Technical Reports Server (NTRS)

Bergrun, Norman R

1952-01-01

An empirically derived basis for predicting the area, rate, and distribution of water-drop impingement on airfoils of arbitrary section is presented. The concepts involved represent an initial step toward the development of a calculation technique which is generally applicable to the design of thermal ice-prevention equipment for airplane wing and tail surfaces. It is shown that sufficiently accurate estimates, for the purpose of heated-wing design, can be obtained by a few numerical computations once the velocity distribution over the airfoil has been determined. The calculation technique presented is based on results of extensive water-drop trajectory computations for five airfoil cases which consisted of 15-percent-thick airfoils encompassing a moderate lift-coefficient range. The differential equations pertaining to the paths of the drops were solved by a differential analyzer.

An algebraic iterative reconstruction technique for differential X-ray phase-contrast computed tomography.

PubMed

Fu, Jian; Schleede, Simone; Tan, Renbo; Chen, Liyuan; Bech, Martin; Achterhold, Klaus; Gifford, Martin; Loewen, Rod; Ruth, Ronald; Pfeiffer, Franz

2013-09-01

Iterative reconstruction has a wide spectrum of proven advantages in the field of conventional X-ray absorption-based computed tomography (CT). In this paper, we report on an algebraic iterative reconstruction technique for grating-based differential phase-contrast CT (DPC-CT). Due to the differential nature of DPC-CT projections, a differential operator and a smoothing operator are added to the iterative reconstruction, compared to the one commonly used for absorption-based CT data. This work comprises a numerical study of the algorithm and its experimental verification using a dataset measured at a two-grating interferometer setup. Since the algorithm is easy to implement and allows for the extension to various regularization possibilities, we expect a significant impact of the method for improving future medical and industrial DPC-CT applications. Copyright © 2012. Published by Elsevier GmbH.

Interaction entropy for protein-protein binding

NASA Astrophysics Data System (ADS)

Sun, Zhaoxi; Yan, Yu N.; Yang, Maoyou; Zhang, John Z. H.

2017-03-01

Protein-protein interactions are at the heart of signal transduction and are central to the function of protein machine in biology. The highly specific protein-protein binding is quantitatively characterized by the binding free energy whose accurate calculation from the first principle is a grand challenge in computational biology. In this paper, we show how the interaction entropy approach, which was recently proposed for protein-ligand binding free energy calculation, can be applied to computing the entropic contribution to the protein-protein binding free energy. Explicit theoretical derivation of the interaction entropy approach for protein-protein interaction system is given in detail from the basic definition. Extensive computational studies for a dozen realistic protein-protein interaction systems are carried out using the present approach and comparisons of the results for these protein-protein systems with those from the standard normal mode method are presented. Analysis of the present method for application in protein-protein binding as well as the limitation of the method in numerical computation is discussed. Our study and analysis of the results provided useful information for extracting correct entropic contribution in protein-protein binding from molecular dynamics simulations.

Interaction entropy for protein-protein binding.

PubMed

Sun, Zhaoxi; Yan, Yu N; Yang, Maoyou; Zhang, John Z H

2017-03-28

Protein-protein interactions are at the heart of signal transduction and are central to the function of protein machine in biology. The highly specific protein-protein binding is quantitatively characterized by the binding free energy whose accurate calculation from the first principle is a grand challenge in computational biology. In this paper, we show how the interactionentropy approach, which was recently proposed for protein-ligand binding free energy calculation, can be applied to computing the entropic contribution to the protein-protein binding free energy. Explicit theoretical derivation of the interactionentropy approach for protein-protein interaction system is given in detail from the basic definition. Extensive computational studies for a dozen realistic protein-protein interaction systems are carried out using the present approach and comparisons of the results for these protein-protein systems with those from the standard normal mode method are presented. Analysis of the present method for application in protein-protein binding as well as the limitation of the method in numerical computation is discussed. Our study and analysis of the results provided useful information for extracting correct entropic contribution in protein-protein binding from molecular dynamics simulations.

Fluid Dynamics of Competitive Swimming: A Computational Study

NASA Astrophysics Data System (ADS)

Mittal, Rajat; Loebbeck, Alfred; Singh, Hersh; Mark, Russell; Wei, Timothy

2004-11-01

The dolphin kick is an important component in competitive swimming and is used extensively by swimmers immediately following the starting dive as well as after turns. In this stroke, the swimmer swims about three feet under the water surface and the stroke is executed by performing an undulating wave-like motion of the body that is quite similar to the anguilliform propulsion mode in fish. Despite the relatively simple kinematics of this stoke, considerable variability in style and performance is observed even among Olympic level swimmers. Motivated by this, a joint experimental-numerical study has been initiated to examine the fluid-dynamics of this stroke. The current presentation will describe the computational portion of this study. The computations employ a sharp interface immersed boundary method (IBM) which allows us to simulate flows with complex moving boudnaries on stationary Cartesian grids. 3D body scans of male and female Olympic swimmers have been obtained and these are used in conjuction with high speed videos to recreate a realistic dolphin kick for the IBM solver. Preliminary results from these computations will be presented.

Accurate computation and continuation of homoclinic and heteroclinic orbits for singular perturbation problems

NASA Technical Reports Server (NTRS)

Vaughan, William W.; Friedman, Mark J.; Monteiro, Anand C.

1993-01-01

In earlier papers, Doedel and the authors have developed a numerical method and derived error estimates for the computation of branches of heteroclinic orbits for a system of autonomous ordinary differential equations in R(exp n). The idea of the method is to reduce a boundary value problem on the real line to a boundary value problem on a finite interval by using a local (linear or higher order) approximation of the stable and unstable manifolds. A practical limitation for the computation of homoclinic and heteroclinic orbits has been the difficulty in obtaining starting orbits. Typically these were obtained from a closed form solution or via a homotopy from a known solution. Here we consider extensions of our algorithm which allow us to obtain starting orbits on the continuation branch in a more systematic way as well as make the continuation algorithm more flexible. In applications, we use the continuation software package AUTO in combination with some initial value software. The examples considered include computation of homoclinic orbits in a singular perturbation problem and in a turbulent fluid boundary layer in the wall region problem.

Comparison of different models for non-invasive FFR estimation

NASA Astrophysics Data System (ADS)

Mirramezani, Mehran; Shadden, Shawn

2017-11-01

Coronary artery disease is a leading cause of death worldwide. Fractional flow reserve (FFR), derived from invasively measuring the pressure drop across a stenosis, is considered the gold standard to diagnose disease severity and need for treatment. Non-invasive estimation of FFR has gained recent attention for its potential to reduce patient risk and procedural cost versus invasive FFR measurement. Non-invasive FFR can be obtained by using image-based computational fluid dynamics to simulate blood flow and pressure in a patient-specific coronary model. However, 3D simulations require extensive effort for model construction and numerical computation, which limits their routine use. In this study we compare (ordered by increasing computational cost/complexity): reduced-order algebraic models of pressure drop across a stenosis; 1D, 2D (multiring) and 3D CFD models; as well as 3D FSI for the computation of FFR in idealized and patient-specific stenosis geometries. We demonstrate the ability of an appropriate reduced order algebraic model to closely predict FFR when compared to FFR from a full 3D simulation. This work was supported by the NIH, Grant No. R01-HL103419.

Finite element solution of optimal control problems with inequality constraints

NASA Technical Reports Server (NTRS)

Bless, Robert R.; Hodges, Dewey H.

1990-01-01

A finite-element method based on a weak Hamiltonian form of the necessary conditions is summarized for optimal control problems. Very crude shape functions (so simple that element numerical quadrature is not necessary) can be used to develop an efficient procedure for obtaining candidate solutions (i.e., those which satisfy all the necessary conditions) even for highly nonlinear problems. An extension of the formulation allowing for discontinuities in the states and derivatives of the states is given. A theory that includes control inequality constraints is fully developed. An advanced launch vehicle (ALV) model is presented. The model involves staging and control constraints, thus demonstrating the full power of the weak formulation to date. Numerical results are presented along with total elapsed computer time required to obtain the results. The speed and accuracy in obtaining the results make this method a strong candidate for a real-time guidance algorithm.

Numerical study of the geometry of the phase space of the Augmented Hill Three-Body problem

NASA Astrophysics Data System (ADS)

Farrés, Ariadna; Jorba, Àngel; Mondelo, Josep-Maria

2017-09-01

The Augmented Hill Three-Body problem is an extension of the classical Hill problem that, among other applications, has been used to model the motion of a solar sail around an asteroid. This model is a 3 degrees of freedom (3DoF) Hamiltonian system that depends on four parameters. This paper describes the bounded motions (periodic orbits and invariant tori) in an extended neighbourhood of some of the equilibrium points of the model. An interesting feature is the existence of equilibrium points with a 1:1 resonance, whose neighbourhood we also describe. The main tools used are the computation of periodic orbits (including their stability and bifurcations), the reduction of the Hamiltonian to centre manifolds at equilibria, and the numerical approximation of invariant tori. It is remarkable how the combination of these techniques allows the description of the dynamics of a 3DoF Hamiltonian system.

A FEniCS-based programming framework for modeling turbulent flow by the Reynolds-averaged Navier-Stokes equations

NASA Astrophysics Data System (ADS)

Mortensen, Mikael; Langtangen, Hans Petter; Wells, Garth N.

2011-09-01

Finding an appropriate turbulence model for a given flow case usually calls for extensive experimentation with both models and numerical solution methods. This work presents the design and implementation of a flexible, programmable software framework for assisting with numerical experiments in computational turbulence. The framework targets Reynolds-averaged Navier-Stokes models, discretized by finite element methods. The novel implementation makes use of Python and the FEniCS package, the combination of which leads to compact and reusable code, where model- and solver-specific code resemble closely the mathematical formulation of equations and algorithms. The presented ideas and programming techniques are also applicable to other fields that involve systems of nonlinear partial differential equations. We demonstrate the framework in two applications and investigate the impact of various linearizations on the convergence properties of nonlinear solvers for a Reynolds-averaged Navier-Stokes model.

Detailed Comparison of DNS to PSE for Oblique Breakdown at Mach 3

NASA Technical Reports Server (NTRS)

Mayer, Christian S. J.; Fasel, Hermann F.; Choudhari, Meelan; Chang, Chau-Lyan

2010-01-01

A pair of oblique waves at low amplitudes is introduced in a supersonic flat-plate boundary layer. Their downstream development and the concomitant process of laminar to turbulent transition is then investigated numerically using Direct Numerical Simulations (DNS) and Parabolized Stability Equations (PSE). This abstract is the last part of an extensive study of the complete transition process initiated by oblique breakdown at Mach 3. In contrast to the previous simulations, the symmetry condition in the spanwise direction is removed for the simulation presented in this abstract. By removing the symmetry condition, we are able to confirm that the flow is indeed symmetric over the entire computational domain. Asymmetric modes grow in the streamwise direction but reach only small amplitude values at the outflow. Furthermore, this abstract discusses new time-averaged data from our previous simulation CASE 3 and compares PSE data obtained from NASA's LASTRAC code to DNS results.

Polymer translocation under a pulling force: Scaling arguments and threshold forces

NASA Astrophysics Data System (ADS)

Menais, Timothée

2018-02-01

DNA translocation through nanopores is one of the most promising strategies for next-generation sequencing technologies. Most experimental and numerical works have focused on polymer translocation biased by electrophoresis, where a pulling force acts on the polymer within the nanopore. An alternative strategy, however, is emerging, which uses optical or magnetic tweezers. In this case, the pulling force is exerted directly at one end of the polymer, which strongly modifies the translocation process. In this paper, we report numerical simulations of both linear and structured (mimicking DNA) polymer models, simple enough to allow for a statistical treatment of the pore structure effects on the translocation time probability distributions. Based on extremely extended computer simulation data, we (i) propose scaling arguments for an extension of the predicted translocation times τ ˜N2F-1 over the moderate forces range and (ii) analyze the effect of pore size and polymer structuration on translocation times τ .

Nuclear Energy Gradients for Internally Contracted Complete Active Space Second-Order Perturbation Theory: Multistate Extensions.

PubMed

Vlaisavljevich, Bess; Shiozaki, Toru

2016-08-09

We report the development of the theory and computer program for analytical nuclear energy gradients for (extended) multistate complete active space perturbation theory (CASPT2) with full internal contraction. The vertical shifts are also considered in this work. This is an extension of the fully internally contracted CASPT2 nuclear gradient program recently developed for a state-specific variant by us [MacLeod and Shiozaki, J. Chem. Phys. 2015, 142, 051103]; in this extension, the so-called λ equation is solved to account for the variation of the multistate CASPT2 energies with respect to the change in the amplitudes obtained in the preceding state-specific CASPT2 calculations, and the Z vector equations are modified accordingly. The program is parallelized using the MPI3 remote memory access protocol that allows us to perform efficient one-sided communication. The optimized geometries of the ground and excited states of a copper corrole and benzophenone are presented as numerical examples. The code is publicly available under the GNU General Public License.

Numerical sensitivity analysis of a variational data assimilation procedure for cardiac conductivities

NASA Astrophysics Data System (ADS)

Barone, Alessandro; Fenton, Flavio; Veneziani, Alessandro

2017-09-01

An accurate estimation of cardiac conductivities is critical in computational electro-cardiology, yet experimental results in the literature significantly disagree on the values and ratios between longitudinal and tangential coefficients. These are known to have a strong impact on the propagation of potential particularly during defibrillation shocks. Data assimilation is a procedure for merging experimental data and numerical simulations in a rigorous way. In particular, variational data assimilation relies on the least-square minimization of the misfit between simulations and experiments, constrained by the underlying mathematical model, which in this study is represented by the classical Bidomain system, or its common simplification given by the Monodomain problem. Operating on the conductivity tensors as control variables of the minimization, we obtain a parameter estimation procedure. As the theory of this approach currently provides only an existence proof and it is not informative for practical experiments, we present here an extensive numerical simulation campaign to assess practical critical issues such as the size and the location of the measurement sites needed for in silico test cases of potential experimental and realistic settings. This will be finalized with a real validation of the variational data assimilation procedure. Results indicate the presence of lower and upper bounds for the number of sites which guarantee an accurate and minimally redundant parameter estimation, the location of sites being generally non critical for properly designed experiments. An effective combination of parameter estimation based on the Monodomain and Bidomain models is tested for the sake of computational efficiency. Parameter estimation based on the Monodomain equation potentially leads to the accurate computation of the transmembrane potential in real settings.

Optimal structure and parameter learning of Ising models

DOE PAGES

Lokhov, Andrey; Vuffray, Marc Denis; Misra, Sidhant; ...

2018-03-16

Reconstruction of the structure and parameters of an Ising model from binary samples is a problem of practical importance in a variety of disciplines, ranging from statistical physics and computational biology to image processing and machine learning. The focus of the research community shifted toward developing universal reconstruction algorithms that are both computationally efficient and require the minimal amount of expensive data. Here, we introduce a new method, interaction screening, which accurately estimates model parameters using local optimization problems. The algorithm provably achieves perfect graph structure recovery with an information-theoretically optimal number of samples, notably in the low-temperature regime, whichmore » is known to be the hardest for learning. Here, the efficacy of interaction screening is assessed through extensive numerical tests on synthetic Ising models of various topologies with different types of interactions, as well as on real data produced by a D-Wave quantum computer. Finally, this study shows that the interaction screening method is an exact, tractable, and optimal technique that universally solves the inverse Ising problem.« less

Distributed computer system enhances productivity for SRB joint optimization

NASA Technical Reports Server (NTRS)

Rogers, James L., Jr.; Young, Katherine C.; Barthelemy, Jean-Francois M.

1987-01-01

Initial calculations of a redesign of the solid rocket booster joint that failed during the shuttle tragedy showed that the design had a weight penalty associated with it. Optimization techniques were to be applied to determine if there was any way to reduce the weight while keeping the joint opening closed and limiting the stresses. To allow engineers to examine as many alternatives as possible, a system was developed consisting of existing software that coupled structural analysis with optimization which would execute on a network of computer workstations. To increase turnaround, this system took advantage of the parallelism offered by the finite difference technique of computing gradients to allow several workstations to contribute to the solution of the problem simultaneously. The resulting system reduced the amount of time to complete one optimization cycle from two hours to one-half hour with a potential of reducing it to 15 minutes. The current distributed system, which contains numerous extensions, requires one hour turnaround per optimization cycle. This would take four hours for the sequential system.

Optimal structure and parameter learning of Ising models

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

Lokhov, Andrey; Vuffray, Marc Denis; Misra, Sidhant

Reconstruction of the structure and parameters of an Ising model from binary samples is a problem of practical importance in a variety of disciplines, ranging from statistical physics and computational biology to image processing and machine learning. The focus of the research community shifted toward developing universal reconstruction algorithms that are both computationally efficient and require the minimal amount of expensive data. Here, we introduce a new method, interaction screening, which accurately estimates model parameters using local optimization problems. The algorithm provably achieves perfect graph structure recovery with an information-theoretically optimal number of samples, notably in the low-temperature regime, whichmore » is known to be the hardest for learning. Here, the efficacy of interaction screening is assessed through extensive numerical tests on synthetic Ising models of various topologies with different types of interactions, as well as on real data produced by a D-Wave quantum computer. Finally, this study shows that the interaction screening method is an exact, tractable, and optimal technique that universally solves the inverse Ising problem.« less

Computation of three-dimensional nozzle-exhaust flow fields with the GIM code

NASA Technical Reports Server (NTRS)

Spradley, L. W.; Anderson, P. G.

1978-01-01

A methodology is introduced for constructing numerical analogs of the partial differential equations of continuum mechanics. A general formulation is provided which permits classical finite element and many of the finite difference methods to be derived directly. The approach, termed the General Interpolants Method (GIM), can combined the best features of finite element and finite difference methods. A quasi-variational procedure is used to formulate the element equations, to introduce boundary conditions into the method and to provide a natural assembly sequence. A derivation is given in terms of general interpolation functions from this procedure. Example computations for transonic and supersonic flows in two and three dimensions are given to illustrate the utility of GIM. A three-dimensional nozzle-exhaust flow field is solved including interaction with the freestream and a coupled treatment of the shear layer. Potential applications of the GIM code to a variety of computational fluid dynamics problems is then discussed in terms of existing capability or by extension of the methodology.

System on a chip with MPEG-4 capability

NASA Astrophysics Data System (ADS)

Yassa, Fathy; Schonfeld, Dan

2002-12-01

Current products supporting video communication applications rely on existing computer architectures. RISC processors have been used successfully in numerous applications over several decades. DSP processors have become ubiquitous in signal processing and communication applications. Real-time applications such as speech processing in cellular telephony rely extensively on the computational power of these processors. Video processors designed to implement the computationally intensive codec operations have also been used to address the high demands of video communication applications (e.g., cable set-top boxes and DVDs). This paper presents an overview of a system-on-chip (SOC) architecture used for real-time video in wireless communication applications. The SOC specifications answer to the system requirements imposed by the application environment. A CAM-based video processor is used to accelerate data intensive video compression tasks such as motion estimations and filtering. Other components are dedicated to system level data processing and audio processing. A rich set of I/Os allows the SOC to communicate with other system components such as baseband and memory subsystems.

COSIM: A Finite-Difference Computer Model to Predict Ternary Concentration Profiles Associated with Oxidation and Interdiffusion of Overlay-Coated Substrates

NASA Technical Reports Server (NTRS)

Nesbitt, James A.

2000-01-01

A finite-difference computer program (COSIM) has been written which models the one-dimensional, diffusional transport associated with high-temperature oxidation and interdiffusion of overlay-coated substrates. The program predicts concentration profiles for up to three elements in the coating and substrate after various oxidation exposures. Surface recession due to solute loss is also predicted. Ternary cross terms and concentration-dependent diffusion coefficients are taken into account. The program also incorporates a previously-developed oxide growth and spalling model to simulate either isothermal or cyclic oxidation exposures. In addition to predicting concentration profiles after various oxidation exposures, the program can also be used to predict coating fife based on a concentration dependent failure criterion (e.g., surface solute content drops to two percent). The computer code, written in an extension of FORTRAN 77, employs numerous subroutines to make the program flexible and easily modifiable to other coating oxidation problems.

Computational Model of Population Dynamics Based on the Cell Cycle and Local Interactions

NASA Astrophysics Data System (ADS)

Oprisan, Sorinel Adrian; Oprisan, Ana

2005-03-01

Our study bridges cellular (mesoscopic) level interactions and global population (macroscopic) dynamics of carcinoma. The morphological differences and transitions between well and smooth defined benign tumors and tentacular malignat tumors suggest a theoretical analysis of tumor invasion based on the development of mathematical models exhibiting bifurcations of spatial patterns in the density of tumor cells. Our computational model views the most representative and clinically relevant features of oncogenesis as a fight between two distinct sub-systems: the immune system of the host and the neoplastic system. We implemented the neoplastic sub-system using a three-stage cell cycle: active, dormant, and necrosis. The second considered sub-system consists of cytotoxic active (effector) cells — EC, with a very broad phenotype ranging from NK cells to CTL cells, macrophages, etc. Based on extensive numerical simulations, we correlated the fractal dimensions for carcinoma, which could be obtained from tumor imaging, with the malignat stage. Our computational model was able to also simulate the effects of surgical, chemotherapeutical, and radiotherapeutical treatments.

Practical Aspects of Stabilized FEM Discretizations of Nonlinear Conservation Law Systems with Convex Extension

NASA Technical Reports Server (NTRS)

Barth, Timothy; Saini, Subhash (Technical Monitor)

1999-01-01

This talk considers simplified finite element discretization techniques for first-order systems of conservation laws equipped with a convex (entropy) extension. Using newly developed techniques in entropy symmetrization theory, simplified forms of the Galerkin least-squares (GLS) and the discontinuous Galerkin (DG) finite element method have been developed and analyzed. The use of symmetrization variables yields numerical schemes which inherit global entropy stability properties of the POE system. Central to the development of the simplified GLS and DG methods is the Degenerative Scaling Theorem which characterizes right symmetrizes of an arbitrary first-order hyperbolic system in terms of scaled eigenvectors of the corresponding flux Jacobean matrices. A constructive proof is provided for the Eigenvalue Scaling Theorem with detailed consideration given to the Euler, Navier-Stokes, and magnetohydrodynamic (MHD) equations. Linear and nonlinear energy stability is proven for the simplified GLS and DG methods. Spatial convergence properties of the simplified GLS and DO methods are numerical evaluated via the computation of Ringleb flow on a sequence of successively refined triangulations. Finally, we consider a posteriori error estimates for the GLS and DG demoralization assuming error functionals related to the integrated lift and drag of a body. Sample calculations in 20 are shown to validate the theory and implementation.

UltraPse: A Universal and Extensible Software Platform for Representing Biological Sequences.

PubMed

Du, Pu-Feng; Zhao, Wei; Miao, Yang-Yang; Wei, Le-Yi; Wang, Likun

2017-11-14

With the avalanche of biological sequences in public databases, one of the most challenging problems in computational biology is to predict their biological functions and cellular attributes. Most of the existing prediction algorithms can only handle fixed-length numerical vectors. Therefore, it is important to be able to represent biological sequences with various lengths using fixed-length numerical vectors. Although several algorithms, as well as software implementations, have been developed to address this problem, these existing programs can only provide a fixed number of representation modes. Every time a new sequence representation mode is developed, a new program will be needed. In this paper, we propose the UltraPse as a universal software platform for this problem. The function of the UltraPse is not only to generate various existing sequence representation modes, but also to simplify all future programming works in developing novel representation modes. The extensibility of UltraPse is particularly enhanced. It allows the users to define their own representation mode, their own physicochemical properties, or even their own types of biological sequences. Moreover, UltraPse is also the fastest software of its kind. The source code package, as well as the executables for both Linux and Windows platforms, can be downloaded from the GitHub repository.

SLUG - stochastically lighting up galaxies - III. A suite of tools for simulated photometry, spectroscopy, and Bayesian inference with stochastic stellar populations

NASA Astrophysics Data System (ADS)

Krumholz, Mark R.; Fumagalli, Michele; da Silva, Robert L.; Rendahl, Theodore; Parra, Jonathan

2015-09-01

Stellar population synthesis techniques for predicting the observable light emitted by a stellar population have extensive applications in numerous areas of astronomy. However, accurate predictions for small populations of young stars, such as those found in individual star clusters, star-forming dwarf galaxies, and small segments of spiral galaxies, require that the population be treated stochastically. Conversely, accurate deductions of the properties of such objects also require consideration of stochasticity. Here we describe a comprehensive suite of modular, open-source software tools for tackling these related problems. These include the following: a greatly-enhanced version of the SLUG code introduced by da Silva et al., which computes spectra and photometry for stochastically or deterministically sampled stellar populations with nearly arbitrary star formation histories, clustering properties, and initial mass functions; CLOUDY_SLUG, a tool that automatically couples SLUG-computed spectra with the CLOUDY radiative transfer code in order to predict stochastic nebular emission; BAYESPHOT, a general-purpose tool for performing Bayesian inference on the physical properties of stellar systems based on unresolved photometry; and CLUSTER_SLUG and SFR_SLUG, a pair of tools that use BAYESPHOT on a library of SLUG models to compute the mass, age, and extinction of mono-age star clusters, and the star formation rate of galaxies, respectively. The latter two tools make use of an extensive library of pre-computed stellar population models, which are included in the software. The complete package is available at http://www.slugsps.com.

An efficient numerical method for solving the Boltzmann equation in multidimensions

NASA Astrophysics Data System (ADS)

Dimarco, Giacomo; Loubère, Raphaël; Narski, Jacek; Rey, Thomas

2018-01-01

In this paper we deal with the extension of the Fast Kinetic Scheme (FKS) (Dimarco and Loubère, 2013 [26]) originally constructed for solving the BGK equation, to the more challenging case of the Boltzmann equation. The scheme combines a robust and fast method for treating the transport part based on an innovative Lagrangian technique supplemented with conservative fast spectral schemes to treat the collisional operator by means of an operator splitting approach. This approach along with several implementation features related to the parallelization of the algorithm permits to construct an efficient simulation tool which is numerically tested against exact and reference solutions on classical problems arising in rarefied gas dynamic. We present results up to the 3 D × 3 D case for unsteady flows for the Variable Hard Sphere model which may serve as benchmark for future comparisons between different numerical methods for solving the multidimensional Boltzmann equation. For this reason, we also provide for each problem studied details on the computational cost and memory consumption as well as comparisons with the BGK model or the limit model of compressible Euler equations.

Dynamic stresses in a Francis model turbine at deep part load

NASA Astrophysics Data System (ADS)

Weber, Wilhelm; von Locquenghien, Florian; Conrad, Philipp; Koutnik, Jiri

2017-04-01

A comparison between numerically obtained dynamic stresses in a Francis model turbine at deep part load with experimental ones is presented. Due to the change in the electrical power mix to more content of new renewable energy sources, Francis turbines are forced to operate at deep part load in order to compensate stochastic nature of wind and solar power and to ensure grid stability. For the extension of the operating range towards deep part load improved understanding of the harsh flow conditions and their impact on material fatigue of hydraulic components is required in order to ensure long life time of the power unit. In this paper pressure loads on a model turbine runner from unsteady two-phase computational fluid dynamics simulation at deep part load are used for calculation of mechanical stresses by finite element analysis. Therewith, stress distribution over time is determined. Since only few runner rotations are simulated due to enormous numerical cost, more effort has to be spent to evaluation procedure in order to obtain objective results. By comparing the numerical results with measured strains accuracy of the whole simulation procedure is verified.

Direct numerical simulations of on-demand vortex generators: Mathematical formulation

NASA Technical Reports Server (NTRS)

Koumoutsakos, Petros

1994-01-01

The objective of the present research is the development and application of efficient adaptive numerical algorithms for the study, via direct numerical simulations, of active vortex generators. We are using innovative computational schemes to investigate flows past complex configurations undergoing arbitrary motions. Some of the questions we try to answer are: Can and how may we control the dynamics of the wake? What is the importance of body shape and motion in the active control of the flow? What is the effect of three-dimensionality in laboratory experiments? We are interested not only in coupling our results to ongoing, related experimental work, but furthermore to develop an extensive database relating the above mechanisms to the vortical wake structures with the long-range objective of developing feedback control mechanisms. This technology is very important to aircraft, ship, automotive, and other industries that require predictive capability for fluid mechanical problems. The results would have an impact in high angle of attack aerodynamics and help design ways to improve the efficiency of ships and submarines (maneuverability, vortex induced vibration, and noise).

A comparison between implicit and hybrid methods for the calculation of steady and unsteady inlet flows

NASA Technical Reports Server (NTRS)

Coakley, T. J.; Hsieh, T.

1985-01-01

Numerical simulation of steady and unsteady transonic diffuser flows using two different computer codes are discussed and compared with experimental data. The codes solve the Reynolds-averaged, compressible, Navier-Stokes equations using various turbulence models. One of the codes has been applied extensively to diffuser flows and uses the hybrid method of MacCormack. This code is relatively inefficient numerically. The second code, which was developed more recently, is fully implicit and is relatively efficient numerically. Simulations of steady flows using the implicit code are shown to be in good agreement with simulations using the hybrid code. Both simulations are in good agreement with experimental results. Simulations of unsteady flows using the two codes are in good qualitative agreement with each other, although the quantitative agreement is not as good as in the steady flow cases. The implicit code is shown to be eight times faster than the hybrid code for unsteady flow calculations and up to 32 times faster for steady flow calculations. Results of calculations using alternative turbulence models are also discussed.

A microkernel design for component-based parallel numerical software systems.

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

Balay, S.

1999-01-13

What is the minimal software infrastructure and what type of conventions are needed to simplify development of sophisticated parallel numerical application codes using a variety of software components that are not necessarily available as source code? We propose an opaque object-based model where the objects are dynamically loadable from the file system or network. The microkernel required to manage such a system needs to include, at most: (1) a few basic services, namely--a mechanism for loading objects at run time via dynamic link libraries, and consistent schemes for error handling and memory management; and (2) selected methods that all objectsmore » share, to deal with object life (destruction, reference counting, relationships), and object observation (viewing, profiling, tracing). We are experimenting with these ideas in the context of extensible numerical software within the ALICE (Advanced Large-scale Integrated Computational Environment) project, where we are building the microkernel to manage the interoperability among various tools for large-scale scientific simulations. This paper presents some preliminary observations and conclusions from our work with microkernel design.« less

Direct numerical simulations of on-demand vortex generators: Mathematical formulation

NASA Astrophysics Data System (ADS)

Koumoutsakos, Petros

1994-12-01

The objective of the present research is the development and application of efficient adaptive numerical algorithms for the study, via direct numerical simulations, of active vortex generators. We are using innovative computational schemes to investigate flows past complex configurations undergoing arbitrary motions. Some of the questions we try to answer are: Can and how may we control the dynamics of the wake? What is the importance of body shape and motion in the active control of the flow? What is the effect of three-dimensionality in laboratory experiments? We are interested not only in coupling our results to ongoing, related experimental work, but furthermore to develop an extensive database relating the above mechanisms to the vortical wake structures with the long-range objective of developing feedback control mechanisms. This technology is very important to aircraft, ship, automotive, and other industries that require predictive capability for fluid mechanical problems. The results would have an impact in high angle of attack aerodynamics and help design ways to improve the efficiency of ships and submarines (maneuverability, vortex induced vibration, and noise).

CFD Simulation On The Pressure Distribution For An Isolated Single-Story House With Extension: Grid Sensitivity Analysis

NASA Astrophysics Data System (ADS)

Yahya, W. N. W.; Zaini, S. S.; Ismail, M. A.; Majid, T. A.; Deraman, S. N. C.; Abdullah, J.

2018-04-01

Damage due to wind-related disasters is increasing due to global climate change. Many studies have been conducted to study the wind effect surrounding low-rise building using wind tunnel tests or numerical simulations. The use of numerical simulation is relatively cheap but requires very good command in handling the software, acquiring the correct input parameters and obtaining the optimum grid or mesh. However, before a study can be conducted, a grid sensitivity test must be conducted to get a suitable cell number for the final to ensure an accurate result with lesser computing time. This study demonstrates the numerical procedures for conducting a grid sensitivity analysis using five models with different grid schemes. The pressure coefficients (CP) were observed along the wall and roof profile and compared between the models. The results showed that medium grid scheme can be used and able to produce high accuracy results compared to finer grid scheme as the difference in terms of the CP values was found to be insignificant.

Computational Study of Chaotic and Ordered Solutions of the Kuramoto-Sivashinsky Equation

NASA Technical Reports Server (NTRS)

Smyrlis, Yiorgos S.; Papageorgiou, Demetrios T.

1996-01-01

We report the results of extensive numerical experiments on the Kuramoto-Sivashinsky equation in the strongly chaotic regime as the viscosity parameter is decreased and increasingly more linearly unstable modes enter the dynamics. General initial conditions are used and evolving states do not assume odd-parity. A large number of numerical experiments are employed in order to obtain quantitative characteristics of the dynamics. We report on different routes to chaos and provide numerical evidence and construction of strange attractors with self-similar characteristics. As the 'viscosity' parameter decreases the dynamics becomes increasingly more complicated and chaotic. In particular it is found that regular behavior in the form of steady state or steady state traveling waves is supported amidst the time-dependent and irregular motions. We show that multimodal steady states emerge and are supported on decreasing windows in parameter space. In addition we invoke a self-similarity property of the equation, to show that these profiles are obtainable from global fixed point attractors of the Kuramoto-Sivashinsky equation at much larger values of the viscosity.

Gridless, pattern-driven point cloud completion and extension

NASA Astrophysics Data System (ADS)

Gravey, Mathieu; Mariethoz, Gregoire

2016-04-01

While satellites offer Earth observation with a wide coverage, other remote sensing techniques such as terrestrial LiDAR can acquire very high-resolution data on an area that is limited in extension and often discontinuous due to shadow effects. Here we propose a numerical approach to merge these two types of information, thereby reconstructing high-resolution data on a continuous large area. It is based on a pattern matching process that completes the areas where only low-resolution data is available, using bootstrapped high-resolution patterns. Currently, the most common approach to pattern matching is to interpolate the point data on a grid. While this approach is computationally efficient, it presents major drawbacks for point clouds processing because a significant part of the information is lost in the point-to-grid resampling, and that a prohibitive amount of memory is needed to store large grids. To address these issues, we propose a gridless method that compares point clouds subsets without the need to use a grid. On-the-fly interpolation involves a heavy computational load, which is met by using a GPU high-optimized implementation and a hierarchical pattern searching strategy. The method is illustrated using data from the Val d'Arolla, Swiss Alps, where high-resolution terrestrial LiDAR data are fused with lower-resolution Landsat and WorldView-3 acquisitions, such that the density of points is homogeneized (data completion) and that it is extend to a larger area (data extension).

A computational model of in vitro angiogenesis based on extracellular matrix fibre orientation.

PubMed

Edgar, Lowell T; Sibole, Scott C; Underwood, Clayton J; Guilkey, James E; Weiss, Jeffrey A

2013-01-01

Recent interest in the process of vascularisation within the biomedical community has motivated numerous new research efforts focusing on the process of angiogenesis. Although the role of chemical factors during angiogenesis has been well documented, the role of mechanical factors, such as the interaction between angiogenic vessels and the extracellular matrix, remains poorly understood. In vitro methods for studying angiogenesis exist; however, measurements available using such techniques often suffer from limited spatial and temporal resolutions. For this reason, computational models have been extensively employed to investigate various aspects of angiogenesis. This paper outlines the formulation and validation of a simple and robust computational model developed to accurately simulate angiogenesis based on length, branching and orientation morphometrics collected from vascularised tissue constructs. Microvessels were represented as a series of connected line segments. The morphology of the vessels was determined by a linear combination of the collagen fibre orientation, the vessel density gradient and a random walk component. Excellent agreement was observed between computational and experimental morphometric data over time. Computational predictions of microvessel orientation within an anisotropic matrix correlated well with experimental data. The accuracy of this modelling approach makes it a valuable platform for investigating the role of mechanical interactions during angiogenesis.

Verification of Software: The Textbook and Real Problems

NASA Technical Reports Server (NTRS)

Carlson, Jan-Renee

2006-01-01

The process of verification, or determining the order of accuracy of computational codes, can be problematic when working with large, legacy computational methods that have been used extensively in industry or government. Verification does not ensure that the computer program is producing a physically correct solution, it ensures merely that the observed order of accuracy of solutions are the same as the theoretical order of accuracy. The Method of Manufactured Solutions (MMS) is one of several ways for determining the order of accuracy. MMS is used to verify a series of computer codes progressing in sophistication from "textbook" to "real life" applications. The degree of numerical precision in the computations considerably influenced the range of mesh density to achieve the theoretical order of accuracy even for 1-D problems. The choice of manufactured solutions and mesh form shifted the observed order in specific areas but not in general. Solution residual (iterative) convergence was not always achieved for 2-D Euler manufactured solutions. L(sub 2,norm) convergence differed variable to variable therefore an observed order of accuracy could not be determined conclusively in all cases, the cause of which is currently under investigation.

Ab initio molecular simulations with numeric atom-centered orbitals

NASA Astrophysics Data System (ADS)

Blum, Volker; Gehrke, Ralf; Hanke, Felix; Havu, Paula; Havu, Ville; Ren, Xinguo; Reuter, Karsten; Scheffler, Matthias

2009-11-01

We describe a complete set of algorithms for ab initio molecular simulations based on numerically tabulated atom-centered orbitals (NAOs) to capture a wide range of molecular and materials properties from quantum-mechanical first principles. The full algorithmic framework described here is embodied in the Fritz Haber Institute "ab initio molecular simulations" (FHI-aims) computer program package. Its comprehensive description should be relevant to any other first-principles implementation based on NAOs. The focus here is on density-functional theory (DFT) in the local and semilocal (generalized gradient) approximations, but an extension to hybrid functionals, Hartree-Fock theory, and MP2/GW electron self-energies for total energies and excited states is possible within the same underlying algorithms. An all-electron/full-potential treatment that is both computationally efficient and accurate is achieved for periodic and cluster geometries on equal footing, including relaxation and ab initio molecular dynamics. We demonstrate the construction of transferable, hierarchical basis sets, allowing the calculation to range from qualitative tight-binding like accuracy to meV-level total energy convergence with the basis set. Since all basis functions are strictly localized, the otherwise computationally dominant grid-based operations scale as O(N) with system size N. Together with a scalar-relativistic treatment, the basis sets provide access to all elements from light to heavy. Both low-communication parallelization of all real-space grid based algorithms and a ScaLapack-based, customized handling of the linear algebra for all matrix operations are possible, guaranteeing efficient scaling (CPU time and memory) up to massively parallel computer systems with thousands of CPUs.

FOLDER: A numerical tool to simulate the development of structures in layered media

NASA Astrophysics Data System (ADS)

Adamuszek, Marta; Dabrowski, Marcin; Schmid, Daniel W.

2015-04-01

FOLDER is a numerical toolbox for modelling deformation in layered media during layer parallel shortening or extension in two dimensions. FOLDER builds on MILAMIN [1], a finite element method based mechanical solver, with a range of utilities included from the MUTILS package [2]. Numerical mesh is generated using the Triangle software [3]. The toolbox includes features that allow for: 1) designing complex structures such as multi-layer stacks, 2) accurately simulating large-strain deformation of linear and non-linear viscous materials, 3) post-processing of various physical fields such as velocity (total and perturbing), rate of deformation, finite strain, stress, deviatoric stress, pressure, apparent viscosity. FOLDER is designed to ensure maximum flexibility to configure model geometry, define material parameters, specify range of numerical parameters in simulations and choose the plotting options. FOLDER is an open source MATLAB application and comes with a user friendly graphical interface. The toolbox additionally comprises an educational application that illustrates various analytical solutions of growth rates calculated for the cases of folding and necking of a single layer with interfaces perturbed with a single sinusoidal waveform. We further derive two novel analytical expressions for the growth rate in the cases of folding and necking of a linear viscous layer embedded in a linear viscous medium of a finite thickness. We use FOLDER to test the accuracy of single-layer folding simulations using various 1) spatial and temporal resolutions, 2) time integration schemes, and 3) iterative algorithms for non-linear materials. The accuracy of the numerical results is quantified by: 1) comparing them to analytical solution, if available, or 2) running convergence tests. As a result, we provide a map of the most optimal choice of grid size, time step, and number of iterations to keep the results of the numerical simulations below a given error for a given time integration scheme. We also demonstrate that Euler and Leapfrog time integration schemes are not recommended for any practical use. Finally, the capabilities of the toolbox are illustrated based on two examples: 1) shortening of a synthetic multi-layer sequence and 2) extension of a folded quartz vein embedded in phyllite from Sprague Upper Reservoir (example discussed by Sherwin and Chapple [4]). The latter example demonstrates that FOLDER can be successfully used for reverse modelling and mechanical restoration. [1] Dabrowski, M., Krotkiewski, M., and Schmid, D. W., 2008, MILAMIN: MATLAB-based finite element method solver for large problems. Geochemistry Geophysics Geosystems, vol. 9. [2] Krotkiewski, M. and Dabrowski M., 2010 Parallel symmetric sparse matrix-vector product on scalar multi-core cpus. Parallel Computing, 36(4):181-198 [3] Shewchuk, J. R., 1996, Triangle: Engineering a 2D Quality Mesh Generator and Delaunay Triangulator, In: Applied Computational Geometry: Towards Geometric Engineering'' (Ming C. Lin and Dinesh Manocha, editors), Vol. 1148 of Lecture Notes in Computer Science, pp. 203-222, Springer-Verlag, Berlin [4] Sherwin, J.A., Chapple, W.M., 1968. Wavelengths of single layer folds - a Comparison between theory and Observation. American Journal of Science 266 (3), p. 167-179

Advances in Numerical Boundary Conditions for Computational Aeroacoustics

NASA Technical Reports Server (NTRS)

Tam, Christopher K. W.

1997-01-01

Advances in Computational Aeroacoustics (CAA) depend critically on the availability of accurate, nondispersive, least dissipative computation algorithm as well as high quality numerical boundary treatments. This paper focuses on the recent developments of numerical boundary conditions. In a typical CAA problem, one often encounters two types of boundaries. Because a finite computation domain is used, there are external boundaries. On the external boundaries, boundary conditions simulating the solution outside the computation domain are to be imposed. Inside the computation domain, there may be internal boundaries. On these internal boundaries, boundary conditions simulating the presence of an object or surface with specific acoustic characteristics are to be applied. Numerical boundary conditions, both external or internal, developed for simple model problems are reviewed and examined. Numerical boundary conditions for real aeroacoustic problems are also discussed through specific examples. The paper concludes with a description of some much needed research in numerical boundary conditions for CAA.

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

Sidler, Rolf, E-mail: rsidler@gmail.com; Carcione, José M.; Holliger, Klaus

We present a novel numerical approach for the comprehensive, flexible, and accurate simulation of poro-elastic wave propagation in 2D polar coordinates. An important application of this method and its extensions will be the modeling of complex seismic wave phenomena in fluid-filled boreholes, which represents a major, and as of yet largely unresolved, computational problem in exploration geophysics. In view of this, we consider a numerical mesh, which can be arbitrarily heterogeneous, consisting of two or more concentric rings representing the fluid in the center and the surrounding porous medium. The spatial discretization is based on a Chebyshev expansion in themore » radial direction and a Fourier expansion in the azimuthal direction and a Runge–Kutta integration scheme for the time evolution. A domain decomposition method is used to match the fluid–solid boundary conditions based on the method of characteristics. This multi-domain approach allows for significant reductions of the number of grid points in the azimuthal direction for the inner grid domain and thus for corresponding increases of the time step and enhancements of computational efficiency. The viability and accuracy of the proposed method has been rigorously tested and verified through comparisons with analytical solutions as well as with the results obtained with a corresponding, previously published, and independently benchmarked solution for 2D Cartesian coordinates. Finally, the proposed numerical solution also satisfies the reciprocity theorem, which indicates that the inherent singularity associated with the origin of the polar coordinate system is adequately handled.« less

Integrating Numerical Computation into the Modeling Instruction Curriculum

ERIC Educational Resources Information Center

Caballero, Marcos D.; Burk, John B.; Aiken, John M.; Thoms, Brian D.; Douglas, Scott S.; Scanlon, Erin M.; Schatz, Michael F.

2014-01-01

Numerical computation (the use of a computer to solve, simulate, or visualize a physical problem) has fundamentally changed the way scientific research is done. Systems that are too difficult to solve in closed form are probed using computation. Experiments that are impossible to perform in the laboratory are studied numerically. Consequently, in…

Numerical Package in Computer Supported Numeric Analysis Teaching

ERIC Educational Resources Information Center

Tezer, Murat

2007-01-01

At universities in the faculties of Engineering, Sciences, Business and Economics together with higher education in Computing, it is stated that because of the difficulty, calculators and computers can be used in Numerical Analysis (NA). In this study, the learning computer supported NA will be discussed together with important usage of the…

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.

Numerical simulations of icing in turbomachinery

NASA Astrophysics Data System (ADS)

Das, Kaushik

Safety concerns over aircraft icing and the high experimental cost of testing have spurred global interest in numerical simulations of the ice accretion process. Extensive experimental and computational studies have been carried out to understand the icing on external surfaces. No parallel initiatives were reported for icing on engine components. However, the supercooled water droplets in moist atmosphere that are ingested into the engine can impinge on the component surfaces and freeze to form ice deposits. Ice accretion could block the engine passage causing reduced airflow. It raises safety and performance concerns such as mechanical damage from ice shedding as well as slow acceleration leading to compressor stall. The current research aims at developing a computational methodology for prediction of icing phenomena on turbofan compression system. Numerical simulation of ice accretion in aircraft engines is highly challenging because of the complex 3-D unsteady turbomachinery flow and the effects of rotation on droplet trajectories. The aim of the present research focuses on (i) Developing a computational methodology for ice accretion in rotating turbomachinery components; (ii) Investigate the effect of inter-phase heat exchange; (iii) Characterize droplet impingement pattern and ice accretion at different operating conditions. The simulations of droplet trajectories are based on a Eulerian-Lagrangian approach for the continuous and discrete phases. The governing equations are solved in the rotating blade frame of reference. The flow field is computed by solving the 3-D solution of the compressible Reynolds Averaged Navier Stokes (RANS) equations. One-way interaction models simulate the effects of aerodynamic forces and the energy exchange between the flow and the droplets. The methodology is implemented in the cool, TURBODROP and applied to the flow field and droplet trajectories in NASA Roto-67r and NASA-GE E3 booster rotor. The results highlight the variation of impingement location and temperature with droplet size. It also illustrates the effect of rotor speed on droplet temperature rise. The computed droplet impingement statistics and flow properties are used to calculate ice shapes. It was found that the mass of accreted ice and maximum thickness is highly sensitive to rotor speed and radial location.

Numerical Study of Plasmonic Efficiency of Gold Nanostripes for Molecule Detection

PubMed Central

2015-01-01

In plasmonics, the accurate computation of the electromagnetic field enhancement is necessary in determining the amplitude and the spatial extension of the field around nanostructures. Here, the problem of the interaction between an electromagnetic excitation and gold nanostripes is solved. An optimization scheme, including an adaptive remeshing process with error estimator, is used to solve the problem through a finite element method. The variations of the electromagnetic field amplitude and the plasmonic active zones around nanostructures for molecule detection are studied in this paper taking into account the physical and geometrical parameters of the nanostripes. The evolution between the sizes and number of nanostripes is shown. PMID:25734184

The Extensibility of an Interpreted Language Using Plugin Libraries

NASA Astrophysics Data System (ADS)

Herceg, Dorde; Radaković, Davorka

2011-09-01

Dynamic geometry software (DGS) are computer programs that allow one to create and manipulate geometrical drawings. They are mostly used in teaching and studying geometry. However, DGS can also be used to develop interactive drawings not directly related to geometry. Examples include teaching materials for numerical mathematics at secondary school and university levels, or interactive mathematical games for elementary school children. Such applications often surpass the intended purposes of the DGS and may require complicated programming on behalf of the user. In this paper we present a simple plug-in model which enables easy development and deployment of interactive GUI components for "Geometrijica", a DGS we are developing on Silverlight.

A survey of keystroke dynamics biometrics.

PubMed

Teh, Pin Shen; Teoh, Andrew Beng Jin; Yue, Shigang

2013-01-01

Research on keystroke dynamics biometrics has been increasing, especially in the last decade. The main motivation behind this effort is due to the fact that keystroke dynamics biometrics is economical and can be easily integrated into the existing computer security systems with minimal alteration and user intervention. Numerous studies have been conducted in terms of data acquisition devices, feature representations, classification methods, experimental protocols, and evaluations. However, an up-to-date extensive survey and evaluation is not yet available. The objective of this paper is to provide an insightful survey and comparison on keystroke dynamics biometrics research performed throughout the last three decades, as well as offering suggestions and possible future research directions.

Downstream boundary effects on the frequency of self-excited oscillations in transonic diffuser flows

NASA Astrophysics Data System (ADS)

Hsieh, T.

1986-10-01

Investigation of downstream boundary effects on the frequency of self-excited oscillations in two-dimensional, separated transonic diffuser flows were conducted numerically by solving the compressible, Reynolds-averaged, thin-layer Navier-Stokes equation with two equation turbulence models. It was found that the flow fields are very sensitive to the location of the downstream boundary. Extension of the diffuser downstream boundary significantly reduces the frequency and amplitude of oscillations for pressure, velocity, and shock. The existence of a suction slot in the experimental setpup obscures the physical downstream boundary and therefore presents a difficulty for quantitative comparisons between computation and experiment.

Final mission design for IRAS

NASA Technical Reports Server (NTRS)

Mclaughlin, W. I.

1984-01-01

The Infrared Astronomical Satellite (IRAS) was operated on orbit from 26 January to 22 November 1983 (GMT). Its primary purpose, successfully accomplished, was to conduct an all-sky survey in the infrared from 8 to 120 microns. The mission design for this project featured orbit selection; numerous exercises in the geometry of the sphere; computer simulation of mission, sky, and telescope; and an active interface with the IRAS Science Team. In addition to mission design, the subject of mission planning after launch is addressed. The paper makes extensive use of reference to other works on the topic and seeks to derive some general conclusions on the subject based upon the IRAS experience.

Matrix preconditioning: a robust operation for optical linear algebra processors.

PubMed

Ghosh, A; Paparao, P

1987-07-15

Analog electrooptical processors are best suited for applications demanding high computational throughput with tolerance for inaccuracies. Matrix preconditioning is one such application. Matrix preconditioning is a preprocessing step for reducing the condition number of a matrix and is used extensively with gradient algorithms for increasing the rate of convergence and improving the accuracy of the solution. In this paper, we describe a simple parallel algorithm for matrix preconditioning, which can be implemented efficiently on a pipelined optical linear algebra processor. From the results of our numerical experiments we show that the efficacy of the preconditioning algorithm is affected very little by the errors of the optical system.

Image restoration by minimizing zero norm of wavelet frame coefficients

NASA Astrophysics Data System (ADS)

Bao, Chenglong; Dong, Bin; Hou, Likun; Shen, Zuowei; Zhang, Xiaoqun; Zhang, Xue

2016-11-01

In this paper, we propose two algorithms, namely the extrapolated proximal iterative hard thresholding (EPIHT) algorithm and the EPIHT algorithm with line-search, for solving the {{\\ell }}0-norm regularized wavelet frame balanced approach for image restoration. Under the theoretical framework of Kurdyka-Łojasiewicz property, we show that the sequences generated by the two algorithms converge to a local minimizer with linear convergence rate. Moreover, extensive numerical experiments on sparse signal reconstruction and wavelet frame based image restoration problems including CT reconstruction, image deblur, demonstrate the improvement of {{\\ell }}0-norm based regularization models over some prevailing ones, as well as the computational efficiency of the proposed algorithms.

Cellerator: extending a computer algebra system to include biochemical arrows for signal transduction simulations

NASA Technical Reports Server (NTRS)

Shapiro, Bruce E.; Levchenko, Andre; Meyerowitz, Elliot M.; Wold, Barbara J.; Mjolsness, Eric D.

2003-01-01

Cellerator describes single and multi-cellular signal transduction networks (STN) with a compact, optionally palette-driven, arrow-based notation to represent biochemical reactions and transcriptional activation. Multi-compartment systems are represented as graphs with STNs embedded in each node. Interactions include mass-action, enzymatic, allosteric and connectionist models. Reactions are translated into differential equations and can be solved numerically to generate predictive time courses or output as systems of equations that can be read by other programs. Cellerator simulations are fully extensible and portable to any operating system that supports Mathematica, and can be indefinitely nested within larger data structures to produce highly scaleable models.

Calculating Trajectories And Orbits

NASA Technical Reports Server (NTRS)

Alderson, Daniel J.; Brady, Franklyn H.; Breckheimer, Peter J.; Campbell, James K.; Christensen, Carl S.; Collier, James B.; Ekelund, John E.; Ellis, Jordan; Goltz, Gene L.; Hintz, Gerarld R.;

Numerical investigation of a modified family of centered schemes applied to multiphase equations with nonconservative sources

NASA Astrophysics Data System (ADS)

Crochet, M. W.; Gonthier, K. A.

2013-12-01

Systems of hyperbolic partial differential equations are frequently used to model the flow of multiphase mixtures. These equations often contain sources, referred to as nozzling terms, that cannot be posed in divergence form, and have proven to be particularly challenging in the development of finite-volume methods. Upwind schemes have recently shown promise in properly resolving the steady wave solution of the associated multiphase Riemann problem. However, these methods require a full characteristic decomposition of the system eigenstructure, which may be either unavailable or computationally expensive. Central schemes, such as the Kurganov-Tadmor (KT) family of methods, require minimal characteristic information, which makes them easily applicable to systems with an arbitrary number of phases. However, the proper implementation of nozzling terms in these schemes has been mathematically ambiguous. The primary objectives of this work are twofold: first, an extension of the KT family of schemes is proposed that formally accounts for the nonconservative nozzling sources. This modification results in a semidiscrete form that retains the simplicity of its predecessor and introduces little additional computational expense. Second, this modified method is applied to multiple, but equivalent, forms of the multiphase equations to perform a numerical study by solving several one-dimensional test problems. Both ideal and Mie-Grüneisen equations of state are used, with the results compared to an analytical solution. This study demonstrates that the magnitudes of the resulting numerical errors are sensitive to the form of the equations considered, and suggests an optimal form to minimize these errors. Finally, a separate modification of the wave propagation speeds used in the KT family is also suggested that can reduce the extent of numerical diffusion in multiphase flows.

Numerical simulations of electromagnetic scattering by Solar system objects

NASA Astrophysics Data System (ADS)

Dlugach, Janna M.

2016-11-01

Having been profoundly stimulated by the seminal work of Viktor V. Sobolev, I have been involved in multi-decadal research in the fields of radiative transfer, electromagnetic scattering by morphologically complex particles and particulate media, and planetary remote sensing. Much of this research has been done in close collaboration with other "descendants" of Academician Sobolev. This tutorial paper gives a representative overview of the results of extensive numerical simulations (in the vast majority carried out in collaboration with Michael Mishchenko) used to analyze remote-sensing observations of Solar system objects and based on highly accurate methods of the radiative transfer theory and direct computer solvers of the Maxwell equations. Using the atmosphere of Jupiter as a proving ground and performing T-matrix and radiative-transfer calculations helps demonstrate the strong effect of aerosol-particle shapes on the accuracy of remote-sensing retrievals. I then discuss the application of the T-matrix method, a numerically exact solution of the vector radiative transfer equation, and the theory of coherent backscattering to an analysis of polarimetric radar observations of Saturn's rings. Numerical modeling performed by using the superposition T-matrix method in application to cometary dust in the form of aggregates serves to reproduce the results of polarimetric observations of the distant comet C/2010 S1. On the basis of direct computer solutions of the Maxwell equations, it is demonstrated that all backscattering effects predicted by the low-density theories of radiative transfer and coherent backscattering can also be identified for media with volume packing densities typically encountered in natural and artificial environments. This result implies that spectacular opposition effects observed for some high-albedo atmoshereless Solar system bodies can be attributed to coherent backscattering of sunlight by regolith layers composed of microscopic particles.

Small-Body Extensions for the Satellite Orbit Analysis Program (SOAP)

NASA Technical Reports Server (NTRS)

Carnright, Robert; Stodden, David; Coggi, John

2008-01-01

An extension to the SOAP software allows users to work with tri-axial ellipsoid-based representations of planetary bodies, primarily for working with small, natural satellites, asteroids, and comets. SOAP is a widely used tool for the visualization and analysis of space missions. The small body extension provides the same visualization and analysis constructs for use with small bodies. These constructs allow the user to characterize satellite path and instrument cover information for small bodies in both 3D display and numerical output formats. Tri-axial ellipsoids are geometric shapes the diameters of which are different in each of three principal x, y, and z dimensions. This construct provides a better approximation than using spheres or oblate spheroids (ellipsoids comprising two common equatorial diameters as a distinct polar diameter). However, the tri-axial ellipsoid is considerably more difficult to work with from a modeling perspective. In addition, the SOAP small-body extensions allow the user to actually employ a plate model for highly irregular surfaces. Both tri-axial ellipsoids and plate models can be assigned to coordinate frames, thus allowing for the modeling of arbitrary changes to body orientation. A variety of features have been extended to support tri-axial ellipsoids, including the computation and display of the spacecraft sub-orbital point, ground trace, instrument footprints, and swathes. Displays of 3D instrument volumes can be shown interacting with the ellipsoids. Longitude/latitude grids, contour plots, and texture maps can be displayed on the ellipsoids using a variety of projections. The distance along an arbitrary line of sight can be computed between the spacecraft and the ellipsoid, and the coordinates of that intersection can be plotted as a function of time. The small-body extension supports the same visual and analytical constructs that are supported for spheres and oblate spheroids in SOAP making the implementation of the more complex algorithms largely transparent to the user.

Modeling Biodegradation and Reactive Transport: Analytical and Numerical Models

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

Sun, Y; Glascoe, L

The computational modeling of the biodegradation of contaminated groundwater systems accounting for biochemical reactions coupled to contaminant transport is a valuable tool for both the field engineer/planner with limited computational resources and the expert computational researcher less constrained by time and computer power. There exists several analytical and numerical computer models that have been and are being developed to cover the practical needs put forth by users to fulfill this spectrum of computational demands. Generally, analytical models provide rapid and convenient screening tools running on very limited computational power, while numerical models can provide more detailed information with consequent requirementsmore » of greater computational time and effort. While these analytical and numerical computer models can provide accurate and adequate information to produce defensible remediation strategies, decisions based on inadequate modeling output or on over-analysis can have costly and risky consequences. In this chapter we consider both analytical and numerical modeling approaches to biodegradation and reactive transport. Both approaches are discussed and analyzed in terms of achieving bioremediation goals, recognizing that there is always a tradeoff between computational cost and the resolution of simulated systems.« less

Computational analysis of Variable Thrust Engine (VTE) performance

NASA Technical Reports Server (NTRS)

Giridharan, M. G.; Krishnan, A.; Przekwas, A. J.

1993-01-01

The Variable Thrust Engine (VTE) of the Orbital Maneuvering Vehicle (OMV) uses a hypergolic propellant combination of Monomethyl Hydrazine (MMH) and Nitrogen Tetroxide (NTO) as fuel and oxidizer, respectively. The performance of the VTE depends on a number of complex interacting phenomena such as atomization, spray dynamics, vaporization, turbulent mixing, convective/radiative heat transfer, and hypergolic combustion. This study involved the development of a comprehensive numerical methodology to facilitate detailed analysis of the VTE. An existing Computational Fluid Dynamics (CFD) code was extensively modified to include the following models: a two-liquid, two-phase Eulerian-Lagrangian spray model; a chemical equilibrium model; and a discrete ordinate radiation heat transfer model. The modified code was used to conduct a series of simulations to assess the effects of various physical phenomena and boundary conditions on the VTE performance. The details of the models and the results of the simulations are presented.

Computational wing optimization and comparisons with experiment for a semi-span wing model

NASA Technical Reports Server (NTRS)

Waggoner, E. G.; Haney, H. P.; Ballhaus, W. F.

1978-01-01

A computational wing optimization procedure was developed and verified by an experimental investigation of a semi-span variable camber wing model in the NASA Ames Research Center 14 foot transonic wind tunnel. The Bailey-Ballhaus transonic potential flow analysis and Woodward-Carmichael linear theory codes were linked to Vanderplaats constrained minimization routine to optimize model configurations at several subsonic and transonic design points. The 35 deg swept wing is characterized by multi-segmented leading and trailing edge flaps whose hinge lines are swept relative to the leading and trailing edges of the wing. By varying deflection angles of the flap segments, camber and twist distribution can be optimized for different design conditions. Results indicate that numerical optimization can be both an effective and efficient design tool. The optimized configurations had as good or better lift to drag ratios at the design points as the best designs previously tested during an extensive parametric study.

Computational fluid dynamic modelling of cavitation

NASA Technical Reports Server (NTRS)

Deshpande, Manish; Feng, Jinzhang; Merkle, Charles L.

1993-01-01

Models in sheet cavitation in cryogenic fluids are developed for use in Euler and Navier-Stokes codes. The models are based upon earlier potential-flow models but enable the cavity inception point, length, and shape to be determined as part of the computation. In the present paper, numerical solutions are compared with experimental measurements for both pressure distribution and cavity length. Comparisons between models are also presented. The CFD model provides a relatively simple modification to an existing code to enable cavitation performance predictions to be included. The analysis also has the added ability of incorporating thermodynamic effects of cryogenic fluids into the analysis. Extensions of the current two-dimensional steady state analysis to three-dimensions and/or time-dependent flows are, in principle, straightforward although geometrical issues become more complicated. Linearized models, however offer promise of providing effective cavitation modeling in three-dimensions. This analysis presents good potential for improved understanding of many phenomena associated with cavity flows.

Computation of the turbulent boundary layer downstream of vortex generators

NASA Astrophysics Data System (ADS)

Chang, Paul K.

1987-12-01

The approximate analysis of three-dimensional incompressible turbulent boundary layer downstream of vortex generators is presented. Extensive numerical computations are carried out to assess the effectiveness of single-row, counter-rotating vane-type vortex generators to alleviate flow separation lines. Flow separation downstream of the vortex generators on a thick airfoil are determined in terms of size, location, and arrangement of the vortex generators. These lines are compared with the separation line without the vortex generators. High efficiency is obtained with the moderately slender rectangular blade of the generator. The results indicate that separations is alleviated more effectively in the region closer to the symmetry axis of the generator than in the outer region of the symmetry axis. No optimum conditions for the alleviation of flow separation are established in this investigation, and no comparisons are made with other analytical results and experimental data.

Automatic mesh refinement and parallel load balancing for Fokker-Planck-DSMC algorithm

NASA Astrophysics Data System (ADS)

Küchlin, Stephan; Jenny, Patrick

2018-06-01

Recently, a parallel Fokker-Planck-DSMC algorithm for rarefied gas flow simulation in complex domains at all Knudsen numbers was developed by the authors. Fokker-Planck-DSMC (FP-DSMC) is an augmentation of the classical DSMC algorithm, which mitigates the near-continuum deficiencies in terms of computational cost of pure DSMC. At each time step, based on a local Knudsen number criterion, the discrete DSMC collision operator is dynamically switched to the Fokker-Planck operator, which is based on the integration of continuous stochastic processes in time, and has fixed computational cost per particle, rather than per collision. In this contribution, we present an extension of the previous implementation with automatic local mesh refinement and parallel load-balancing. In particular, we show how the properties of discrete approximations to space-filling curves enable an efficient implementation. Exemplary numerical studies highlight the capabilities of the new code.

An implicit solution of the three-dimensional Navier-Stokes equations for an airfoil spanning a wind tunnel. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Moitra, A.

1982-01-01

An implicit finite-difference algorithm is developed for the numerical solution of the incompressible three dimensional Navier-Stokes equations in the non-conservative primitive-variable formulation. The flow field about an airfoil spanning a wind-tunnel is computed. The coordinate system is generated by an extension of the two dimensional body-fitted coordinate generation techniques of Thompson, as well as that of Sorenson, into three dimensions. Two dimensional grids are stacked along a spanwise coordinate defined by a simple analytical function. A Poisson pressure equation for advancing the pressure in time is arrived at by performing a divergence operation on the momentum equations. The pressure at each time-step is calculated on the assumption that continuity be unconditionally satisfied. An eddy viscosity coefficient, computed according to the algebraic turbulence formulation of Baldwin and Lomax, simulates the effects of turbulence.

Numerical, analytical, experimental study of fluid dynamic forces in seals

NASA Technical Reports Server (NTRS)

Shapiro, William; Artiles, Antonio; Aggarwal, Bharat; Walowit, Jed; Athavale, Mahesh M.; Preskwas, Andrzej J.

1992-01-01

NASA/Lewis Research Center is sponsoring a program for providing computer codes for analyzing and designing turbomachinery seals for future aerospace and engine systems. The program is made up of three principal components: (1) the development of advanced three dimensional (3-D) computational fluid dynamics codes, (2) the production of simpler two dimensional (2-D) industrial codes, and (3) the development of a knowledge based system (KBS) that contains an expert system to assist in seal selection and design. The first task has been to concentrate on cylindrical geometries with straight, tapered, and stepped bores. Improvements have been made by adoption of a colocated grid formulation, incorporation of higher order, time accurate schemes for transient analysis and high order discretization schemes for spatial derivatives. This report describes the mathematical formulations and presents a variety of 2-D results, including labyrinth and brush seal flows. Extensions of 3-D are presently in progress.

Programming a hillslope water movement model on the MPP

NASA Technical Reports Server (NTRS)

Devaney, J. E.; Irving, A. R.; Camillo, P. J.; Gurney, R. J.

1987-01-01

A physically based numerical model was developed of heat and moisture flow within a hillslope on a parallel architecture computer, as a precursor to a model of a complete catchment. Moisture flow within a catchment includes evaporation, overland flow, flow in unsaturated soil, and flow in saturated soil. Because of the empirical evidence that moisture flow in unsaturated soil is mainly in the vertical direction, flow in the unsaturated zone can be modeled as a series of one dimensional columns. This initial version of the hillslope model includes evaporation and a single column of one dimensional unsaturated zone flow. This case has already been solved on an IBM 3081 computer and is now being applied to the massively parallel processor architecture so as to make the extension to the one dimensional case easier and to check the problems and benefits of using a parallel architecture machine.

A New Low Complexity Angle of Arrival Algorithm for 1D and 2D Direction Estimation in MIMO Smart Antenna Systems

PubMed Central

Al-Sadoon, Mohammed A. G.; Zuid, Abdulkareim; Jones, Stephen M. R.; Noras, James M.

2017-01-01

This paper proposes a new low complexity angle of arrival (AOA) method for signal direction estimation in multi-element smart wireless communication systems. The new method estimates the AOAs of the received signals directly from the received signals with significantly reduced complexity since it does not need to construct the correlation matrix, invert the matrix or apply eigen-decomposition, which are computationally expensive. A mathematical model of the proposed method is illustrated and then verified using extensive computer simulations. Both linear and circular sensors arrays are studied using various numerical examples. The method is systematically compared with other common and recently introduced AOA methods over a wide range of scenarios. The simulated results show that the new method has several advantages in terms of reduced complexity and improved accuracy under the assumptions of correlated signals and limited numbers of snapshots. PMID:29140313

A second order discontinuous Galerkin fast sweeping method for Eikonal equations

NASA Astrophysics Data System (ADS)

Li, Fengyan; Shu, Chi-Wang; Zhang, Yong-Tao; Zhao, Hongkai

2008-09-01

In this paper, we construct a second order fast sweeping method with a discontinuous Galerkin (DG) local solver for computing viscosity solutions of a class of static Hamilton-Jacobi equations, namely the Eikonal equations. Our piecewise linear DG local solver is built on a DG method developed recently [Y. Cheng, C.-W. Shu, A discontinuous Galerkin finite element method for directly solving the Hamilton-Jacobi equations, Journal of Computational Physics 223 (2007) 398-415] for the time-dependent Hamilton-Jacobi equations. The causality property of Eikonal equations is incorporated into the design of this solver. The resulting local nonlinear system in the Gauss-Seidel iterations is a simple quadratic system and can be solved explicitly. The compactness of the DG method and the fast sweeping strategy lead to fast convergence of the new scheme for Eikonal equations. Extensive numerical examples verify efficiency, convergence and second order accuracy of the proposed method.

A New Low Complexity Angle of Arrival Algorithm for 1D and 2D Direction Estimation in MIMO Smart Antenna Systems.

PubMed

Al-Sadoon, Mohammed A G; Ali, Nazar T; Dama, Yousf; Zuid, Abdulkareim; Jones, Stephen M R; Abd-Alhameed, Raed A; Noras, James M

2017-11-15

This paper proposes a new low complexity angle of arrival (AOA) method for signal direction estimation in multi-element smart wireless communication systems. The new method estimates the AOAs of the received signals directly from the received signals with significantly reduced complexity since it does not need to construct the correlation matrix, invert the matrix or apply eigen-decomposition, which are computationally expensive. A mathematical model of the proposed method is illustrated and then verified using extensive computer simulations. Both linear and circular sensors arrays are studied using various numerical examples. The method is systematically compared with other common and recently introduced AOA methods over a wide range of scenarios. The simulated results show that the new method has several advantages in terms of reduced complexity and improved accuracy under the assumptions of correlated signals and limited numbers of snapshots.

On computing stress in polymer systems involving multi-body potentials from molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Fu, Yao; Song, Jeong-Hoon

2014-08-01

Hardy stress definition has been restricted to pair potentials and embedded-atom method potentials due to the basic assumptions in the derivation of a symmetric microscopic stress tensor. Force decomposition required in the Hardy stress expression becomes obscure for multi-body potentials. In this work, we demonstrate the invariance of the Hardy stress expression for a polymer system modeled with multi-body interatomic potentials including up to four atoms interaction, by applying central force decomposition of the atomic force. The balance of momentum has been demonstrated to be valid theoretically and tested under various numerical simulation conditions. The validity of momentum conservation justifies the extension of Hardy stress expression to multi-body potential systems. Computed Hardy stress has been observed to converge to the virial stress of the system with increasing spatial averaging volume. This work provides a feasible and reliable linkage between the atomistic and continuum scales for multi-body potential systems.

From empirical data to time-inhomogeneous continuous Markov processes.

PubMed

Lencastre, Pedro; Raischel, Frank; Rogers, Tim; Lind, Pedro G

2016-03-01

We present an approach for testing for the existence of continuous generators of discrete stochastic transition matrices. Typically, existing methods to ascertain the existence of continuous Markov processes are based on the assumption that only time-homogeneous generators exist. Here a systematic extension to time inhomogeneity is presented, based on new mathematical propositions incorporating necessary and sufficient conditions, which are then implemented computationally and applied to numerical data. A discussion concerning the bridging between rigorous mathematical results on the existence of generators to its computational implementation is presented. Our detection algorithm shows to be effective in more than 60% of tested matrices, typically 80% to 90%, and for those an estimate of the (nonhomogeneous) generator matrix follows. We also solve the embedding problem analytically for the particular case of three-dimensional circulant matrices. Finally, a discussion of possible applications of our framework to problems in different fields is briefly addressed.

Verification of Space Station Secondary Power System Stability Using Design of Experiment

NASA Technical Reports Server (NTRS)

Karimi, Kamiar J.; Booker, Andrew J.; Mong, Alvin C.; Manners, Bruce

1998-01-01

This paper describes analytical methods used in verification of large DC power systems with applications to the International Space Station (ISS). Large DC power systems contain many switching power converters with negative resistor characteristics. The ISS power system presents numerous challenges with respect to system stability such as complex sources and undefined loads. The Space Station program has developed impedance specifications for sources and loads. The overall approach to system stability consists of specific hardware requirements coupled with extensive system analysis and testing. Testing of large complex distributed power systems is not practical due to size and complexity of the system. Computer modeling has been extensively used to develop hardware specifications as well as to identify system configurations for lab testing. The statistical method of Design of Experiments (DoE) is used as an analysis tool for verification of these large systems. DOE reduces the number of computer runs which are necessary to analyze the performance of a complex power system consisting of hundreds of DC/DC converters. DoE also provides valuable information about the effect of changes in system parameters on the performance of the system. DoE provides information about various operating scenarios and identification of the ones with potential for instability. In this paper we will describe how we have used computer modeling to analyze a large DC power system. A brief description of DoE is given. Examples using applications of DoE to analysis and verification of the ISS power system are provided.

Knowledge-based environment for optical system design

NASA Astrophysics Data System (ADS)

Johnson, R. Barry

1991-01-01

Optical systems are extensively utilized by industry government and military organizations. The conceptual design engineering design fabrication and testing of these systems presently requires significant time typically on the order of 3-5 years. The Knowledge-Based Environment for Optical System Design (KB-OSD) Program has as its principal objectives the development of a methodology and tool(s) that will make a notable reduction in the development time of optical system projects reduce technical risk and overall cost. KB-OSD can be considered as a computer-based optical design associate for system engineers and design engineers. By utilizing artificial intelligence technology coupled with extensive design/evaluation computer application programs and knowledge bases the KB-OSD will provide the user with assistance and guidance to accomplish such activities as (i) develop system level and hardware level requirements from mission requirements (ii) formulate conceptual designs (iii) construct a statement of work for an RFP (iv) develop engineering level designs (v) evaluate an existing design and (vi) explore the sensitivity of a system to changing scenarios. The KB-OSD comprises a variety of computer platforms including a Stardent Titan supercomputer numerous design programs (lens design coating design thermal materials structural atmospherics etc. ) data bases and heuristic knowledge bases. An important element of the KB-OSD Program is the inclusion of the knowledge of individual experts in various areas of optics and optical system engineering. This knowledge is obtained by KB-OSD knowledge engineers performing

Sull'Integrazione delle Strutture Numeriche nella Scuola dell'Obbligo (Integrating Numerical Structures in Mandatory School).

ERIC Educational Resources Information Center

Bonotto, C.

1995-01-01

Attempted to verify knowledge regarding decimal and rational numbers in children ages 10-14. Discusses how pupils can receive and assimilate extensions of the number system from natural numbers to decimals and fractions and later can integrate this extension into a single and coherent numerical structure. (Author/MKR)

3D numerical simulations of multiphase continental rifting

NASA Astrophysics Data System (ADS)

Naliboff, J.; Glerum, A.; Brune, S.

2017-12-01

Observations of rifted margin architecture suggest continental breakup occurs through multiple phases of extension with distinct styles of deformation. The initial rifting stages are often characterized by slow extension rates and distributed normal faulting in the upper crust decoupled from deformation in the lower crust and mantle lithosphere. Further rifting marks a transition to higher extension rates and coupling between the crust and mantle lithosphere, with deformation typically focused along large-scale detachment faults. Significantly, recent detailed reconstructions and high-resolution 2D numerical simulations suggest that rather than remaining focused on a single long-lived detachment fault, deformation in this phase may progress toward lithospheric breakup through a complex process of fault interaction and development. The numerical simulations also suggest that an initial phase of distributed normal faulting can play a key role in the development of these complex fault networks and the resulting finite deformation patterns. Motivated by these findings, we will present 3D numerical simulations of continental rifting that examine the role of temporal increases in extension velocity on rifted margin structure. The numerical simulations are developed with the massively parallel finite-element code ASPECT. While originally designed to model mantle convection using advanced solvers and adaptive mesh refinement techniques, ASPECT has been extended to model visco-plastic deformation that combines a Drucker Prager yield criterion with non-linear dislocation and diffusion creep. To promote deformation localization, the internal friction angle and cohesion weaken as a function of accumulated plastic strain. Rather than prescribing a single zone of weakness to initiate deformation, an initial random perturbation of the plastic strain field combined with rapid strain weakening produces distributed normal faulting at relatively slow rates of extension in both 2D and 3D simulations. Our presentation will focus on both the numerical assumptions required to produce these results and variations in 3D rifted margin architecture arising from a transition from slow to rapid rates of extension.

Algorithm and code development for unsteady three-dimensional Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Obayashi, Shigeru

1994-01-01

Aeroelastic tests require extensive cost and risk. An aeroelastic wind-tunnel experiment is an order of magnitude more expensive than a parallel experiment involving only aerodynamics. By complementing the wind-tunnel experiments with numerical simulations, the overall cost of the development of aircraft can be considerably reduced. In order to accurately compute aeroelastic phenomenon it is necessary to solve the unsteady Euler/Navier-Stokes equations simultaneously with the structural equations of motion. These equations accurately describe the flow phenomena for aeroelastic applications. At ARC a code, ENSAERO, is being developed for computing the unsteady aerodynamics and aeroelasticity of aircraft, and it solves the Euler/Navier-Stokes equations. The purpose of this cooperative agreement was to enhance ENSAERO in both algorithm and geometric capabilities. During the last five years, the algorithms of the code have been enhanced extensively by using high-resolution upwind algorithms and efficient implicit solvers. The zonal capability of the code has been extended from a one-to-one grid interface to a mismatching unsteady zonal interface. The geometric capability of the code has been extended from a single oscillating wing case to a full-span wing-body configuration with oscillating control surfaces. Each time a new capability was added, a proper validation case was simulated, and the capability of the code was demonstrated.

Computational design of an experimental laser-powered thruster

NASA Technical Reports Server (NTRS)

Jeng, San-Mou; Litchford, Ronald; Keefer, Dennis

1988-01-01

An extensive numerical experiment, using the developed computer code, was conducted to design an optimized laser-sustained hydrogen plasma thruster. The plasma was sustained using a 30 kW CO2 laser beam operated at 10.6 micrometers focused inside the thruster. The adopted physical model considers two-dimensional compressible Navier-Stokes equations coupled with the laser power absorption process, geometric ray tracing for the laser beam, and the thermodynamically equilibrium (LTE) assumption for the plasma thermophysical and optical properties. A pressure based Navier-Stokes solver using body-fitted coordinate was used to calculate the laser-supported rocket flow which consists of both recirculating and transonic flow regions. The computer code was used to study the behavior of laser-sustained plasmas within a pipe over a wide range of forced convection and optical arrangements before it was applied to the thruster design, and these theoretical calculations agree well with existing experimental results. Several different throat size thrusters operated at 150 and 300 kPa chamber pressure were evaluated in the numerical experiment. It is found that the thruster performance (vacuum specific impulse) is highly dependent on the operating conditions, and that an adequately designed laser-supported thruster can have a specific impulse around 1500 sec. The heat loading on the wall of the calculated thrusters were also estimated, and it is comparable to heat loading on the conventional chemical rocket. It was also found that the specific impulse of the calculated thrusters can be reduced by 200 secs due to the finite chemical reaction rate.

COMMIX-PPC: A three-dimensional transient multicomponent computer program for analyzing performance of power plant condensers. Volume 1, Equations and numerics

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

Chien, T.H.; Domanus, H.M.; Sha, W.T.

1993-02-01

The COMMIX-PPC computer pregrain is an extended and improved version of earlier COMMIX codes and is specifically designed for evaluating the thermal performance of power plant condensers. The COMMIX codes are general-purpose computer programs for the analysis of fluid flow and heat transfer in complex Industrial systems. In COMMIX-PPC, two major features have been added to previously published COMMIX codes. One feature is the incorporation of one-dimensional equations of conservation of mass, momentum, and energy on the tube stile and the proper accounting for the thermal interaction between shell and tube side through the porous-medium approach. The other added featuremore » is the extension of the three-dimensional conservation equations for shell-side flow to treat the flow of a multicomponent medium. COMMIX-PPC is designed to perform steady-state and transient. Three-dimensional analysis of fluid flow with heat transfer tn a power plant condenser. However, the code is designed in a generalized fashion so that, with some modification, it can be used to analyze processes in any heat exchanger or other single-phase engineering applications. Volume I (Equations and Numerics) of this report describes in detail the basic equations, formulation, solution procedures, and models for a phenomena. Volume II (User`s Guide and Manual) contains the input instruction, flow charts, sample problems, and descriptions of available options and boundary conditions.« less

Second-order Poisson Nernst-Planck solver for ion channel transport

PubMed Central

Zheng, Qiong; Chen, Duan; Wei, Guo-Wei

2010-01-01

The Poisson Nernst-Planck (PNP) theory is a simplified continuum model for a wide variety of chemical, physical and biological applications. Its ability of providing quantitative explanation and increasingly qualitative predictions of experimental measurements has earned itself much recognition in the research community. Numerous computational algorithms have been constructed for the solution of the PNP equations. However, in the realistic ion-channel context, no second order convergent PNP algorithm has ever been reported in the literature, due to many numerical obstacles, including discontinuous coefficients, singular charges, geometric singularities, and nonlinear couplings. The present work introduces a number of numerical algorithms to overcome the abovementioned numerical challenges and constructs the first second-order convergent PNP solver in the ion-channel context. First, a Dirichlet to Neumann mapping (DNM) algorithm is designed to alleviate the charge singularity due to the protein structure. Additionally, the matched interface and boundary (MIB) method is reformulated for solving the PNP equations. The MIB method systematically enforces the interface jump conditions and achieves the second order accuracy in the presence of complex geometry and geometric singularities of molecular surfaces. Moreover, two iterative schemes are utilized to deal with the coupled nonlinear equations. Furthermore, extensive and rigorous numerical validations are carried out over a number of geometries, including a sphere, two proteins and an ion channel, to examine the numerical accuracy and convergence order of the present numerical algorithms. Finally, application is considered to a real transmembrane protein, the Gramicidin A channel protein. The performance of the proposed numerical techniques is tested against a number of factors, including mesh sizes, diffusion coefficient profiles, iterative schemes, ion concentrations, and applied voltages. Numerical predictions are compared with experimental measurements. PMID:21552336

Efficient Numeric and Geometric Computations using Heterogeneous Shared Memory Architectures

DTIC Science & Technology

2017-10-04

Report: Efficient Numeric and Geometric Computations using Heterogeneous Shared Memory Architectures The views, opinions and/or findings contained in this...Chapel Hill Title: Efficient Numeric and Geometric Computations using Heterogeneous Shared Memory Architectures Report Term: 0-Other Email: dm...algorithms for scientific and geometric computing by exploiting the power and performance efficiency of heterogeneous shared memory architectures . These

A numerical performance assessment of a commercial cardiopulmonary by-pass blood heat exchanger.

PubMed

Consolo, Filippo; Fiore, Gianfranco B; Pelosi, Alessandra; Reggiani, Stefano; Redaelli, Alberto

2015-06-01

We developed a numerical model, based on multi-physics computational fluid dynamics (CFD) simulations, to assist the design process of a plastic hollow-fiber bundle blood heat exchanger (BHE) integrated within the INSPIRE(TM), a blood oxygenator (OXY) for cardiopulmonary by-pass procedures, recently released by Sorin Group Italia. In a comparative study, we analyzed five different geometrical design solutions of the BHE module. Quantitative geometrical-dependent parameters providing a comprehensive evaluation of both the hemo- and thermo-dynamics performance of the device were extracted to identify the best-performing prototypical solution. A convenient design configuration was identified, characterized by (i) a uniform blood flow pattern within the fiber bundle, preventing blood flow shunting and the onset of stagnation/recirculation areas and/or high velocity pathways, (ii) an enhanced blood heating efficiency, and (iii) a reduced blood pressure drop. The selected design configuration was then prototyped and tested to experimentally characterize the device performance. Experimental results confirmed numerical predictions, proving the effectiveness of CFD modeling as a reliable tool for in silico identification of suitable working conditions of blood handling medical devices. Notably, the numerical approach limited the need for extensive prototyping, thus reducing the corresponding machinery costs and time-to-market. Copyright © 2015 IPEM. Published by Elsevier Ltd. All rights reserved.

Numerical Investigation of the Acoustic Damping of Plane Acoustic Waves by Perforated Liners with Bias Flow

NASA Astrophysics Data System (ADS)

Zhao, Dan; Zhong, Zhi Yuan

Perforated liners are extensively used in aero-engines and gas turbine combustors to suppress combustion instabilities. These liners, typically subjected to a low Mach number bias flow (a cooling flow through perforated holes), are fitted along the bounding walls of a combustor to convert acoustic energy into flow energy by generating vorticity at the rims of the perforated apertures. To investigate the acoustic damping of such liners with bias flow on plane acoustic waves, a time-domain numerical model is developed to compute acoustic wave propagation in a cylindrical duct with a single-layer liner attached. The damping mechanism of the liner is characterized in real-time by using a 'compliance', developed especially for this work. It is a rational function representation of the frequency-domain homogeneous compliance adapted from the Rayleigh conductivity of a single aperture with mean bias flow in the z-domain. The liner 'compliance' model is then incorporated into partial differential equations of the duct system, which are solved by using the method of lines. The numerical results are then evaluated by comparing with the numerical results of Eldredge and Dowling's frequency-domain model. Good agreement is observed. This confirms that the model and the approach developed are suitable for real-time characterizing the acoustic damping of perforated liners.

A comparison of Monte Carlo-based Bayesian parameter estimation methods for stochastic models of genetic networks

PubMed Central

Zaikin, Alexey; Míguez, Joaquín

2017-01-01

We compare three state-of-the-art Bayesian inference methods for the estimation of the unknown parameters in a stochastic model of a genetic network. In particular, we introduce a stochastic version of the paradigmatic synthetic multicellular clock model proposed by Ullner et al., 2007. By introducing dynamical noise in the model and assuming that the partial observations of the system are contaminated by additive noise, we enable a principled mechanism to represent experimental uncertainties in the synthesis of the multicellular system and pave the way for the design of probabilistic methods for the estimation of any unknowns in the model. Within this setup, we tackle the Bayesian estimation of a subset of the model parameters. Specifically, we compare three Monte Carlo based numerical methods for the approximation of the posterior probability density function of the unknown parameters given a set of partial and noisy observations of the system. The schemes we assess are the particle Metropolis-Hastings (PMH) algorithm, the nonlinear population Monte Carlo (NPMC) method and the approximate Bayesian computation sequential Monte Carlo (ABC-SMC) scheme. We present an extensive numerical simulation study, which shows that while the three techniques can effectively solve the problem there are significant differences both in estimation accuracy and computational efficiency. PMID:28797087

Comparisons of Particle Tracking Techniques and Galerkin Finite Element Methods in Flow Simulations on Watershed Scales

NASA Astrophysics Data System (ADS)

Shih, D.; Yeh, G.

2009-12-01

This paper applies two numerical approximations, the particle tracking technique and Galerkin finite element method, to solve the diffusive wave equation in both one-dimensional and two-dimensional flow simulations. The finite element method is one of most commonly approaches in numerical problems. It can obtain accurate solutions, but calculation times may be rather extensive. The particle tracking technique, using either single-velocity or average-velocity tracks to efficiently perform advective transport, could use larger time-step sizes than the finite element method to significantly save computational time. Comparisons of the alternative approximations are examined in this poster. We adapt the model WASH123D to examine the work. WASH123D is an integrated multimedia, multi-processes, physics-based computational model suitable for various spatial-temporal scales, was first developed by Yeh et al., at 1998. The model has evolved in design capability and flexibility, and has been used for model calibrations and validations over the course of many years. In order to deliver a locally hydrological model in Taiwan, the Taiwan Typhoon and Flood Research Institute (TTFRI) is working with Prof. Yeh to develop next version of WASH123D. So, the work of our preliminary cooperationx is also sketched in this poster.

Numerical Study of g-Jitter Induced Double-Diffusive Convection

NASA Technical Reports Server (NTRS)

Shu, Y.; Li, B. Q.; deGroh, Henry C.

2001-01-01

A finite element study is presented of double-diffusive convection driven by g-jitter in a microgravity environment. Mathematical formulations are presented and extensive simulations are carried out for g-jitter induced fluid flow, temperature distribution, and solutal transport in an alloy system under consideration for space flights. Computations include the use of idealized single-frequency and multi-frequency g-jitter as well as the real g-jitter data taken during an actual Space Shuttle fight. Little correlation is seen between these velocity components for the g-jitter components studied. The temperature field is basically undisturbed by convection because of a small Pr number for the fluid. The disturbance of the concentration field, however, is pronounced, and the local variation of the concentration follows the velocity oscillation in time. It is found that although the concentration field varies in both position and time, the local concentration gradient remains approximately constant in time. Numerical study further indicates that with an increase in g-jitter force (or amplitude), the nonlinear convective effects become much more obvious, which in turn drastically change the concentration fields. The simulated results computed using the g-jitter data taken during space flights show that both the velocity and concentration become random, following approximately the same pattern as the g-jitter perturbations.

Numerically Exact Long Time Magnetization Dynamics Near the Nonequilibrium Kondo Regime

NASA Astrophysics Data System (ADS)

Cohen, Guy; Gull, Emanuel; Reichman, David; Millis, Andrew; Rabani, Eran

2013-03-01

The dynamical and steady-state spin response of the nonequilibrium Anderson impurity model to magnetic fields, bias voltages, and temperature is investigated by a numerically exact method which allows access to unprecedentedly long times. The method is based on using real, continuous time bold Monte Carlo techniques--quantum Monte Carlo sampling of diagrammatic corrections to a partial re-summation--in order to compute the kernel of a memory function, which is then used to determine the reduced density matrix. The method owes its effectiveness to the fact that the memory kernel is dominated by relatively short-time properties even when the system's dynamics are long-ranged. We make predictions regarding the non-monotonic temperature dependence of the system at high bias voltage and the oscillatory quench dynamics at high magnetic fields. We also discuss extensions of the method to the computation of transport properties and correlation functions, and its suitability as an impurity solver free from the need for analytical continuation in the context of dynamical mean field theory. This work is supported by the US Department of Energy under grant DE-SC0006613, by NSF-DMR-1006282 and by the US-Israel Binational Science Foundation. GC is grateful to the Yad Hanadiv-Rothschild Foundation for the award of a Rothschild Fellowship.

Development of a methodology to compute solvation free energies on the basis of the theory of energy representation for solutions represented with a polarizable force field.

PubMed

Suzuoka, Daiki; Takahashi, Hideaki; Ishiyama, Tatsuya; Morita, Akihiro

2012-12-07

We have developed a method of molecular simulations utilizing a polarizable force field in combination with the theory of energy representation (ER) for the purpose of establishing an efficient and accurate methodology to compute solvation free energies. The standard version of the ER method is, however, based on the assumption that the solute-solvent interaction is pairwise additive for its construction. A crucial step in the present method is to introduce an intermediate state in the solvation process to treat separately the many-body interaction associated with the polarizable model. The intermediate state is chosen so that the solute-solvent interaction can be formally written in the pairwise form, though the solvent molecules are interacting with each other with polarizable charges dependent on the solvent configuration. It is, then, possible to extract the free energy contribution δμ due to the many-body interaction between solute and solvent from the total solvation free energy Δμ. It is shown that the free energy δμ can be computed by an extension of the recent development implemented in quantum mechanical∕molecular mechanical simulations. To assess the numerical robustness of the approach, we computed the solvation free energies of a water and a methanol molecule in water solvent, where two paths for the solvation processes were examined by introducing different intermediate states. The solvation free energies of a water molecule associated with the two paths were obtained as -5.3 and -5.8 kcal∕mol. Those of a methanol molecule were determined as -3.5 and -3.7 kcal∕mol. These results of the ER simulations were also compared with those computed by a numerically exact approach. It was demonstrated that the present approach produces the solvation free energies in comparable accuracies to simulations of thermodynamic integration (TI) method within a tenth of computational time used for the TI simulations.

An Object Oriented Extensible Architecture for Affordable Aerospace Propulsion Systems

NASA Technical Reports Server (NTRS)

Follen, Gregory J.; Lytle, John K. (Technical Monitor)

2002-01-01

Driven by a need to explore and develop propulsion systems that exceeded current computing capabilities, NASA Glenn embarked on a novel strategy leading to the development of an architecture that enables propulsion simulations never thought possible before. Full engine 3 Dimensional Computational Fluid Dynamic propulsion system simulations were deemed impossible due to the impracticality of the hardware and software computing systems required. However, with a software paradigm shift and an embracing of parallel and distributed processing, an architecture was designed to meet the needs of future propulsion system modeling. The author suggests that the architecture designed at the NASA Glenn Research Center for propulsion system modeling has potential for impacting the direction of development of affordable weapons systems currently under consideration by the Applied Vehicle Technology Panel (AVT). This paper discusses the salient features of the NPSS Architecture including its interface layer, object layer, implementation for accessing legacy codes, numerical zooming infrastructure and its computing layer. The computing layer focuses on the use and deployment of these propulsion simulations on parallel and distributed computing platforms which has been the focus of NASA Ames. Additional features of the object oriented architecture that support MultiDisciplinary (MD) Coupling, computer aided design (CAD) access and MD coupling objects will be discussed. Included will be a discussion of the successes, challenges and benefits of implementing this architecture.

Interactive numerals

PubMed Central

2017-01-01

Although Arabic numerals (like ‘2016’ and ‘3.14’) are ubiquitous, we show that in interactive computer applications they are often misleading and surprisingly unreliable. We introduce interactive numerals as a new concept and show, like Roman numerals and Arabic numerals, interactive numerals introduce another way of using and thinking about numbers. Properly understanding interactive numerals is essential for all computer applications that involve numerical data entered by users, including finance, medicine, aviation and science. PMID:28484609

Bounding the electrostatic free energies associated with linear continuum models of molecular solvation.

PubMed

Bardhan, Jaydeep P; Knepley, Matthew G; Anitescu, Mihai

2009-03-14

The importance of electrostatic interactions in molecular biology has driven extensive research toward the development of accurate and efficient theoretical and computational models. Linear continuum electrostatic theory has been surprisingly successful, but the computational costs associated with solving the associated partial differential equations (PDEs) preclude the theory's use in most dynamical simulations. Modern generalized-Born models for electrostatics can reproduce PDE-based calculations to within a few percent and are extremely computationally efficient but do not always faithfully reproduce interactions between chemical groups. Recent work has shown that a boundary-integral-equation formulation of the PDE problem leads naturally to a new approach called boundary-integral-based electrostatics estimation (BIBEE) to approximate electrostatic interactions. In the present paper, we prove that the BIBEE method can be used to rigorously bound the actual continuum-theory electrostatic free energy. The bounds are validated using a set of more than 600 proteins. Detailed numerical results are presented for structures of the peptide met-enkephalin taken from a molecular-dynamics simulation. These bounds, in combination with our demonstration that the BIBEE methods accurately reproduce pairwise interactions, suggest a new approach toward building a highly accurate yet computationally tractable electrostatic model.

Bounding the electrostatic free energies associated with linear continuum models of molecular solvation

NASA Astrophysics Data System (ADS)

Bardhan, Jaydeep P.; Knepley, Matthew G.; Anitescu, Mihai

2009-03-01

The importance of electrostatic interactions in molecular biology has driven extensive research toward the development of accurate and efficient theoretical and computational models. Linear continuum electrostatic theory has been surprisingly successful, but the computational costs associated with solving the associated partial differential equations (PDEs) preclude the theory's use in most dynamical simulations. Modern generalized-Born models for electrostatics can reproduce PDE-based calculations to within a few percent and are extremely computationally efficient but do not always faithfully reproduce interactions between chemical groups. Recent work has shown that a boundary-integral-equation formulation of the PDE problem leads naturally to a new approach called boundary-integral-based electrostatics estimation (BIBEE) to approximate electrostatic interactions. In the present paper, we prove that the BIBEE method can be used to rigorously bound the actual continuum-theory electrostatic free energy. The bounds are validated using a set of more than 600 proteins. Detailed numerical results are presented for structures of the peptide met-enkephalin taken from a molecular-dynamics simulation. These bounds, in combination with our demonstration that the BIBEE methods accurately reproduce pairwise interactions, suggest a new approach toward building a highly accurate yet computationally tractable electrostatic model.

Computational analysis of a multistage axial compressor

NASA Astrophysics Data System (ADS)

Mamidoju, Chaithanya

Turbomachines are used extensively in Aerospace, Power Generation, and Oil & Gas Industries. Efficiency of these machines is often an important factor and has led to the continuous effort to improve the design to achieve better efficiency. The axial flow compressor is a major component in a gas turbine with the turbine's overall performance depending strongly on compressor performance. Traditional analysis of axial compressors involves throughflow calculations, isolated blade passage analysis, Quasi-3D blade-to-blade analysis, single-stage (rotor-stator) analysis, and multi-stage analysis involving larger design cycles. In the current study, the detailed flow through a 15 stage axial compressor is analyzed using a 3-D Navier Stokes CFD solver in a parallel computing environment. Methodology is described for steady state (frozen rotor stator) analysis of one blade passage per component. Various effects such as mesh type and density, boundary conditions, tip clearance and numerical issues such as turbulence model choice, advection model choice, and parallel processing performance are analyzed. A high sensitivity of the predictions to the above was found. Physical explanation to the flow features observed in the computational study are given. The total pressure rise verses mass flow rate was computed.

New Developments of Computational Fluid Dynamics and Their Applications to Practical Engineering Problems

NASA Astrophysics Data System (ADS)

Chen, Hudong

2001-06-01

There have been considerable advances in Lattice Boltzmann (LB) based methods in the last decade. By now, the fundamental concept of using the approach as an alternative tool for computational fluid dynamics (CFD) has been substantially appreciated and validated in mainstream scientific research and in industrial engineering communities. Lattice Boltzmann based methods possess several major advantages: a) less numerical dissipation due to the linear Lagrange type advection operator in the Boltzmann equation; b) local dynamic interactions suitable for highly parallel processing; c) physical handling of boundary conditions for complicated geometries and accurate control of fluxes; d) microscopically consistent modeling of thermodynamics and of interface properties in complex multiphase flows. It provides a great opportunity to apply the method to practical engineering problems encountered in a wide range of industries from automotive, aerospace to chemical, biomedical, petroleum, nuclear, and others. One of the key challenges is to extend the applicability of this alternative approach to regimes of highly turbulent flows commonly encountered in practical engineering situations involving high Reynolds numbers. Over the past ten years, significant efforts have been made on this front at Exa Corporation in developing a lattice Boltzmann based commercial CFD software, PowerFLOW. It has become a useful computational tool for the simulation of turbulent aerodynamics in practical engineering problems involving extremely complex geometries and flow situations, such as in new automotive vehicle designs world wide. In this talk, we present an overall LB based algorithm concept along with certain key extensions in order to accurately handle turbulent flows involving extremely complex geometries. To demonstrate the accuracy of turbulent flow simulations, we provide a set of validation results for some well known academic benchmarks. These include straight channels, backward-facing steps, flows over a curved hill and typical NACA airfoils at various angles of attack including prediction of stall angle. We further provide numerous engineering cases, ranging from external aerodynamics around various car bodies to internal flows involved in various industrial devices. We conclude with a discussion of certain future extensions for complex fluids.

Phantom-GRAPE: Numerical software library to accelerate collisionless N-body simulation with SIMD instruction set on x86 architecture

NASA Astrophysics Data System (ADS)

Tanikawa, Ataru; Yoshikawa, Kohji; Nitadori, Keigo; Okamoto, Takashi

2013-02-01

We have developed a numerical software library for collisionless N-body simulations named "Phantom-GRAPE" which highly accelerates force calculations among particles by use of a new SIMD instruction set extension to the x86 architecture, Advanced Vector eXtensions (AVX), an enhanced version of the Streaming SIMD Extensions (SSE). In our library, not only the Newton's forces, but also central forces with an arbitrary shape f(r), which has a finite cutoff radius rcut (i.e. f(r)=0 at r>rcut), can be quickly computed. In computing such central forces with an arbitrary force shape f(r), we refer to a pre-calculated look-up table. We also present a new scheme to create the look-up table whose binning is optimal to keep good accuracy in computing forces and whose size is small enough to avoid cache misses. Using an Intel Core i7-2600 processor, we measure the performance of our library for both of the Newton's forces and the arbitrarily shaped central forces. In the case of Newton's forces, we achieve 2×109 interactions per second with one processor core (or 75 GFLOPS if we count 38 operations per interaction), which is 20 times higher than the performance of an implementation without any explicit use of SIMD instructions, and 2 times than that with the SSE instructions. With four processor cores, we obtain the performance of 8×109 interactions per second (or 300 GFLOPS). In the case of the arbitrarily shaped central forces, we can calculate 1×109 and 4×109 interactions per second with one and four processor cores, respectively. The performance with one processor core is 6 times and 2 times higher than those of the implementations without any use of SIMD instructions and with the SSE instructions. These performances depend only weakly on the number of particles, irrespective of the force shape. It is good contrast with the fact that the performance of force calculations accelerated by graphics processing units (GPUs) depends strongly on the number of particles. Substantially weak dependence of the performance on the number of particles is suitable to collisionless N-body simulations, since these simulations are usually performed with sophisticated N-body solvers such as Tree- and TreePM-methods combined with an individual timestep scheme. We conclude that collisionless N-body simulations accelerated with our library have significant advantage over those accelerated by GPUs, especially on massively parallel environments.

An enhanced beam model for constrained layer damping and a parameter study of damping contribution

NASA Astrophysics Data System (ADS)

Xie, Zhengchao; Shepard, W. Steve, Jr.

2009-01-01

An enhanced analytical model is presented based on an extension of previous models for constrained layer damping (CLD) in beam-like structures. Most existing CLD models are based on the assumption that shear deformation in the core layer is the only source of damping in the structure. However, previous research has shown that other types of deformation in the core layer, such as deformations from longitudinal extension and transverse compression, can also be important. In the enhanced analytical model developed here, shear, extension, and compression deformations are all included. This model can be used to predict the natural frequencies and modal loss factors. The numerical study shows that compared to other models, this enhanced model is accurate in predicting the dynamic characteristics. As a result, the model can be accepted as a general computation model. With all three types of damping included and the formulation used here, it is possible to study the impact of the structure's geometry and boundary conditions on the relative contribution of each type of damping. To that end, the relative contributions in the frequency domain for a few sample cases are presented.

Neyman, Markov processes and survival analysis.

PubMed

Yang, Grace

2013-07-01

J. Neyman used stochastic processes extensively in his applied work. One example is the Fix and Neyman (F-N) competing risks model (1951) that uses finite homogeneous Markov processes to analyse clinical trials with breast cancer patients. We revisit the F-N model, and compare it with the Kaplan-Meier (K-M) formulation for right censored data. The comparison offers a way to generalize the K-M formulation to include risks of recovery and relapses in the calculation of a patient's survival probability. The generalization is to extend the F-N model to a nonhomogeneous Markov process. Closed-form solutions of the survival probability are available in special cases of the nonhomogeneous processes, like the popular multiple decrement model (including the K-M model) and Chiang's staging model, but these models do not consider recovery and relapses while the F-N model does. An analysis of sero-epidemiology current status data with recurrent events is illustrated. Fix and Neyman used Neyman's RBAN (regular best asymptotic normal) estimates for the risks, and provided a numerical example showing the importance of considering both the survival probability and the length of time of a patient living a normal life in the evaluation of clinical trials. The said extension would result in a complicated model and it is unlikely to find analytical closed-form solutions for survival analysis. With ever increasing computing power, numerical methods offer a viable way of investigating the problem.

A Computational and Experimental Study of Resonators in Three Dimensions

NASA Technical Reports Server (NTRS)

Tam, C. K. W.; Ju, H.; Jones, Michael G.; Watson, Willie R.; Parrott, Tony L.

2009-01-01

In a previous work by the present authors, a computational and experimental investigation of the acoustic properties of two-dimensional slit resonators was carried out. The present paper reports the results of a study extending the previous work to three dimensions. This investigation has two basic objectives. The first is to validate the computed results from direct numerical simulations of the flow and acoustic fields of slit resonators in three dimensions by comparing with experimental measurements in a normal incidence impedance tube. The second objective is to study the flow physics of resonant liners responsible for sound wave dissipation. Extensive comparisons are provided between computed and measured acoustic liner properties with both discrete frequency and broadband sound sources. Good agreements are found over a wide range of frequencies and sound pressure levels. Direct numerical simulation confirms the previous finding in two dimensions that vortex shedding is the dominant dissipation mechanism at high sound pressure intensity. However, it is observed that the behavior of the shed vortices in three dimensions is quite different from those of two dimensions. In three dimensions, the shed vortices tend to evolve into ring (circular in plan form) vortices, even though the slit resonator opening from which the vortices are shed has an aspect ratio of 2.5. Under the excitation of discrete frequency sound, the shed vortices align themselves into two regularly spaced vortex trains moving away from the resonator opening in opposite directions. This is different from the chaotic shedding of vortices found in two-dimensional simulations. The effect of slit aspect ratio at a fixed porosity is briefly studied. For the range of liners considered in this investigation, it is found that the absorption coefficient of a liner increases when the open area of the single slit is subdivided into multiple, smaller slits.

Hall-Effect Thruster Simulations with 2-D Electron Transport and Hydrodynamic Ions

NASA Technical Reports Server (NTRS)

Mikellides, Ioannis G.; Katz, Ira; Hofer, Richard H.; Goebel, Dan M.

2009-01-01

A computational approach that has been used extensively in the last two decades for Hall thruster simulations is to solve a diffusion equation and energy conservation law for the electrons in a direction that is perpendicular to the magnetic field, and use discrete-particle methods for the heavy species. This "hybrid" approach has allowed for the capture of bulk plasma phenomena inside these thrusters within reasonable computational times. Regions of the thruster with complex magnetic field arrangements (such as those near eroded walls and magnets) and/or reduced Hall parameter (such as those near the anode and the cathode plume) challenge the validity of the quasi-one-dimensional assumption for the electrons. This paper reports on the development of a computer code that solves numerically the 2-D axisymmetric vector form of Ohm's law, with no assumptions regarding the rate of electron transport in the parallel and perpendicular directions. The numerical challenges related to the large disparity of the transport coefficients in the two directions are met by solving the equations in a computational mesh that is aligned with the magnetic field. The fully-2D approach allows for a large physical domain that extends more than five times the thruster channel length in the axial direction, and encompasses the cathode boundary. Ions are treated as an isothermal, cold (relative to the electrons) fluid, accounting for charge-exchange and multiple-ionization collisions in the momentum equations. A first series of simulations of two Hall thrusters, namely the BPT-4000 and a 6-kW laboratory thruster, quantifies the significance of ion diffusion in the anode region and the importance of the extended physical domain on studies related to the impact of the transport coefficients on the electron flow field.

Assessing the Electromagnetic Fields Generated by a Radiofrequency MRI Body Coil at 64 MHz: Defeaturing vs. Accuracy

PubMed Central

Lucano, Elena; Liberti, Micaela; Mendoza, Gonzalo G.; Lloyd, Tom; Iacono, Maria Ida; Apollonio, Francesca; Wedan, Steve; Kainz, Wolfgang; Angelone, Leonardo M.

2016-01-01

Goal This study aims at a systematic assessment of five computational models of a birdcage coil for magnetic resonance imaging (MRI) with respect to accuracy and computational cost. Methods The models were implemented using the same geometrical model and numerical algorithm, but different driving methods (i.e., coil “defeaturing”). The defeatured models were labeled as: specific (S2), generic (G32, G16), and hybrid (H16, H16fr-forced). The accuracy of the models was evaluated using the “Symmetric Mean Absolute Percentage Error” (“SMAPE”), by comparison with measurements in terms of frequency response, as well as electric (||E⃗||) and magnetic (||B⃗||) field magnitude. Results All the models computed the ||B⃗|| within 35 % of the measurements, only the S2, G32, and H16 were able to accurately model the ||E⃗|| inside the phantom with a maximum SMAPE of 16 %. Outside the phantom, only the S2 showed a SMAPE lower than 11 %. Conclusions Results showed that assessing the accuracy of ||B⃗|| based only on comparison along the central longitudinal line of the coil can be misleading. Generic or hybrid coils – when properly modeling the currents along the rings/rungs – were sufficient to accurately reproduce the fields inside a phantom while a specific model was needed to accurately model ||E⃗|| in the space between coil and phantom. Significance Computational modeling of birdcage body coils is extensively used in the evaluation of RF-induced heating during MRI. Experimental validation of numerical models is needed to determine if a model is an accurate representation of a physical coil. PMID:26685220

Cause and Cure - Deterioration in Accuracy of CFD Simulations With Use of High-Aspect-Ratio Triangular Tetrahedral Grids

NASA Technical Reports Server (NTRS)

Chang, Sin-Chung; Chang, Chau-Lyan; Venkatachari, Balaji Shankar

2017-01-01

Traditionally high-aspect ratio triangular/tetrahedral meshes are avoided by CFD re-searchers in the vicinity of a solid wall, as it is known to reduce the accuracy of gradient computations in those regions and also cause numerical instability. Although for certain complex geometries, the use of high-aspect ratio triangular/tetrahedral elements in the vicinity of a solid wall can be replaced by quadrilateral/prismatic elements, ability to use triangular/tetrahedral elements in such regions without any degradation in accuracy can be beneficial from a mesh generation point of view. The benefits also carry over to numerical frameworks such as the space-time conservation element and solution element (CESE), where triangular/tetrahedral elements are the mandatory building blocks. With the requirement of the CESE method in mind, a rigorous mathematical framework that clearly identities the reason behind the difficulties in use of such high-aspect ratio triangular/tetrahedral elements is presented here. As will be shown, it turns out that the degree of accuracy deterioration of gradient computation involving a triangular element is hinged on the value of its shape factor Gamma def = sq sin Alpha1 + sq sin Alpha2 + sq sin Alpha3, where Alpha1; Alpha2 and Alpha3 are the internal angles of the element. In fact, it is shown that the degree of accuracy deterioration increases monotonically as the value of Gamma decreases monotonically from its maximal value 9/4 (attained by an equilateral triangle only) to a value much less than 1 (associated with a highly obtuse triangle). By taking advantage of the fact that a high-aspect ratio triangle is not necessarily highly obtuse, and in fact it can have a shape factor whose value is close to the maximal value 9/4, a potential solution to avoid accuracy deterioration of gradient computation associated with a high-aspect ratio triangular grid is given. Also a brief discussion on the extension of the current mathematical framework to the tetrahedral-grid case along with some of the practical results of this extension is also provided. Furthermore, through the use of numerical simulations of practical viscous problems involving high-Reynolds number flows, the effectiveness of the gradient evaluation procedures within the CESE framework (that have their basis on the analysis presented here) to produce accurate and stable results on such high-aspect ratio meshes is also showcased.

Integrated Multiregional Analysis Proposing a New Model of Colorectal Cancer Evolution

PubMed Central

Niida, Atsushi; Shimamura, Teppei; Hirata, Hidenari; Sugimachi, Keishi; Sawada, Genta; Iwaya, Takeshi; Kurashige, Junji; Shinden, Yoshiaki; Iguchi, Tomohiro; Eguchi, Hidetoshi; Chiba, Kenichi; Shiraishi, Yuichi; Nagae, Genta; Yoshida, Kenichi; Nagata, Yasunobu; Haeno, Hiroshi; Yamamoto, Hirofumi; Ishii, Hideshi; Doki, Yuichiro; Iinuma, Hisae; Sasaki, Shin; Nagayama, Satoshi; Yamada, Kazutaka; Yachida, Shinichi; Kato, Mamoru; Shibata, Tatsuhiro; Oki, Eiji; Saeki, Hiroshi; Shirabe, Ken; Oda, Yoshinao; Maehara, Yoshihiko; Komune, Shizuo; Mori, Masaki; Suzuki, Yutaka; Yamamoto, Ken; Aburatani, Hiroyuki; Ogawa, Seishi; Miyano, Satoru; Mimori, Koshi

2016-01-01

Understanding intratumor heterogeneity is clinically important because it could cause therapeutic failure by fostering evolutionary adaptation. To this end, we profiled the genome and epigenome in multiple regions within each of nine colorectal tumors. Extensive intertumor heterogeneity is observed, from which we inferred the evolutionary history of the tumors. First, clonally shared alterations appeared, in which C>T transitions at CpG site and CpG island hypermethylation were relatively enriched. Correlation between mutation counts and patients’ ages suggests that the early-acquired alterations resulted from aging. In the late phase, a parental clone was branched into numerous subclones. Known driver alterations were observed frequently in the early-acquired alterations, but rarely in the late-acquired alterations. Consistently, our computational simulation of the branching evolution suggests that extensive intratumor heterogeneity could be generated by neutral evolution. Collectively, we propose a new model of colorectal cancer evolution, which is useful for understanding and confronting this heterogeneous disease. PMID:26890883

Biological knowledge bases using Wikis: combining the flexibility of Wikis with the structure of databases.

PubMed

Brohée, Sylvain; Barriot, Roland; Moreau, Yves

2010-09-01

In recent years, the number of knowledge bases developed using Wiki technology has exploded. Unfortunately, next to their numerous advantages, classical Wikis present a critical limitation: the invaluable knowledge they gather is represented as free text, which hinders their computational exploitation. This is in sharp contrast with the current practice for biological databases where the data is made available in a structured way. Here, we present WikiOpener an extension for the classical MediaWiki engine that augments Wiki pages by allowing on-the-fly querying and formatting resources external to the Wiki. Those resources may provide data extracted from databases or DAS tracks, or even results returned by local or remote bioinformatics analysis tools. This also implies that structured data can be edited via dedicated forms. Hence, this generic resource combines the structure of biological databases with the flexibility of collaborative Wikis. The source code and its documentation are freely available on the MediaWiki website: http://www.mediawiki.org/wiki/Extension:WikiOpener.

Integrative Analysis of Cancer Diagnosis Studies with Composite Penalization

PubMed Central

Liu, Jin; Huang, Jian; Ma, Shuangge

2013-01-01

Summary In cancer diagnosis studies, high-throughput gene profiling has been extensively conducted, searching for genes whose expressions may serve as markers. Data generated from such studies have the “large d, small n” feature, with the number of genes profiled much larger than the sample size. Penalization has been extensively adopted for simultaneous estimation and marker selection. Because of small sample sizes, markers identified from the analysis of single datasets can be unsatisfactory. A cost-effective remedy is to conduct integrative analysis of multiple heterogeneous datasets. In this article, we investigate composite penalization methods for estimation and marker selection in integrative analysis. The proposed methods use the minimax concave penalty (MCP) as the outer penalty. Under the homogeneity model, the ridge penalty is adopted as the inner penalty. Under the heterogeneity model, the Lasso penalty and MCP are adopted as the inner penalty. Effective computational algorithms based on coordinate descent are developed. Numerical studies, including simulation and analysis of practical cancer datasets, show satisfactory performance of the proposed methods. PMID:24578589

Effect of Numerical Error on Gravity Field Estimation for GRACE and Future Gravity Missions

NASA Astrophysics Data System (ADS)

McCullough, Christopher; Bettadpur, Srinivas

2015-04-01

In recent decades, gravity field determination from low Earth orbiting satellites, such as the Gravity Recovery and Climate Experiment (GRACE), has become increasingly more effective due to the incorporation of high accuracy measurement devices. Since instrumentation quality will only increase in the near future and the gravity field determination process is computationally and numerically intensive, numerical error from the use of double precision arithmetic will eventually become a prominent error source. While using double-extended or quadruple precision arithmetic will reduce these errors, the numerical limitations of current orbit determination algorithms and processes must be accurately identified and quantified in order to adequately inform the science data processing techniques of future gravity missions. The most obvious numerical limitation in the orbit determination process is evident in the comparison of measured observables with computed values, derived from mathematical models relating the satellites' numerically integrated state to the observable. Significant error in the computed trajectory will corrupt this comparison and induce error in the least squares solution of the gravitational field. In addition, errors in the numerically computed trajectory propagate into the evaluation of the mathematical measurement model's partial derivatives. These errors amalgamate in turn with numerical error from the computation of the state transition matrix, computed using the variational equations of motion, in the least squares mapping matrix. Finally, the solution of the linearized least squares system, computed using a QR factorization, is also susceptible to numerical error. Certain interesting combinations of each of these numerical errors are examined in the framework of GRACE gravity field determination to analyze and quantify their effects on gravity field recovery.

Fast image interpolation via random forests.

PubMed

Huang, Jun-Jie; Siu, Wan-Chi; Liu, Tian-Rui

2015-10-01

This paper proposes a two-stage framework for fast image interpolation via random forests (FIRF). The proposed FIRF method gives high accuracy, as well as requires low computation. The underlying idea of this proposed work is to apply random forests to classify the natural image patch space into numerous subspaces and learn a linear regression model for each subspace to map the low-resolution image patch to high-resolution image patch. The FIRF framework consists of two stages. Stage 1 of the framework removes most of the ringing and aliasing artifacts in the initial bicubic interpolated image, while Stage 2 further refines the Stage 1 interpolated image. By varying the number of decision trees in the random forests and the number of stages applied, the proposed FIRF method can realize computationally scalable image interpolation. Extensive experimental results show that the proposed FIRF(3, 2) method achieves more than 0.3 dB improvement in peak signal-to-noise ratio over the state-of-the-art nonlocal autoregressive modeling (NARM) method. Moreover, the proposed FIRF(1, 1) obtains similar or better results as NARM while only takes its 0.3% computational time.

Relationship between coracoacromial arch and rotator cuff analysed by a computer-assisted method.

PubMed

Casino, Daniela; Bruni, Danilo; Zaffagnini, Stefano; Martelli, Sandra; Visani, Andrea; Alvarez, Pau Golanò; Marcacci, Maurilio

2008-06-01

In this paper we describe and assess the feasibility of a computer-assisted method which could be useful to investigate the mechanism of subacromial impingment of the shoulder. The relationship between the infraspinatus and supraspinatus and the coracoacromial (CA) arch during passive elevation and abduction are described. The methodology is based on the use of a tracker for recording surfaces and passive movements and data elaboration using dedicated software. In four cadavers, we observed that the minimal distances between the rotator cuff insertions and CA arch were realized at 45 degrees abduction between the acromion and infraspinatus, at 50-90 degrees elevation between the acromion and supraspinatus and also at 45-70 degrees abduction between the CA ligament and supraspinatus. This study showed that the proposed method is able to provide repeatable kinematic data (ICC > or = 0.90), numerical anatomical data comparable with the literature and, moreover, individual measurements on the shoulder joint. This preliminary results support the extension of the methodology to an in vivo protocol to be used during computer-assisted arthroscopic surgery. (c) 2008 John Wiley & Sons, Ltd.

Acoustic backscatter models of fish: Gradual or punctuated evolution

NASA Astrophysics Data System (ADS)

Horne, John K.

2004-05-01

Sound-scattering characteristics of aquatic organisms are routinely investigated using theoretical and numerical models. Development of the inverse approach by van Holliday and colleagues in the 1970s catalyzed the development and validation of backscatter models for fish and zooplankton. As the understanding of biological scattering properties increased, so did the number and computational sophistication of backscatter models. The complexity of data used to represent modeled organisms has also evolved in parallel to model development. Simple geometric shapes representing body components or the whole organism have been replaced by anatomically accurate representations derived from imaging sensors such as computer-aided tomography (CAT) scans. In contrast, Medwin and Clay (1998) recommend that fish and zooplankton should be described by simple theories and models, without acoustically superfluous extensions. Since van Holliday's early work, how has data and computational complexity influenced accuracy and precision of model predictions? How has the understanding of aquatic organism scattering properties increased? Significant steps in the history of model development will be identified and changes in model results will be characterized and compared. [Work supported by ONR and the Alaska Fisheries Science Center.

Numerical methods on some structured matrix algebra problems

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

Jessup, E.R.

1996-06-01

This proposal concerned the design, analysis, and implementation of serial and parallel algorithms for certain structured matrix algebra problems. It emphasized large order problems and so focused on methods that can be implemented efficiently on distributed-memory MIMD multiprocessors. Such machines supply the computing power and extensive memory demanded by the large order problems. We proposed to examine three classes of matrix algebra problems: the symmetric and nonsymmetric eigenvalue problems (especially the tridiagonal cases) and the solution of linear systems with specially structured coefficient matrices. As all of these are of practical interest, a major goal of this work was tomore » translate our research in linear algebra into useful tools for use by the computational scientists interested in these and related applications. Thus, in addition to software specific to the linear algebra problems, we proposed to produce a programming paradigm and library to aid in the design and implementation of programs for distributed-memory MIMD computers. We now report on our progress on each of the problems and on the programming tools.« less

Distributed Algorithm for Voronoi Partition of Wireless Sensor Networks with a Limited Sensing Range.

PubMed

He, Chenlong; Feng, Zuren; Ren, Zhigang

2018-02-03

For Wireless Sensor Networks (WSNs), the Voronoi partition of a region is a challenging problem owing to the limited sensing ability of each sensor and the distributed organization of the network. In this paper, an algorithm is proposed for each sensor having a limited sensing range to compute its limited Voronoi cell autonomously, so that the limited Voronoi partition of the entire WSN is generated in a distributed manner. Inspired by Graham's Scan (GS) algorithm used to compute the convex hull of a point set, the limited Voronoi cell of each sensor is obtained by sequentially scanning two consecutive bisectors between the sensor and its neighbors. The proposed algorithm called the Boundary Scan (BS) algorithm has a lower computational complexity than the existing Range-Constrained Voronoi Cell (RCVC) algorithm and reaches the lower bound of the computational complexity of the algorithms used to solve the problem of this kind. Moreover, it also improves the time efficiency of a key step in the Adjust-Sensing-Radius (ASR) algorithm used to compute the exact Voronoi cell. Extensive numerical simulations are performed to demonstrate the correctness and effectiveness of the BS algorithm. The distributed realization of the BS combined with a localization algorithm in WSNs is used to justify the WSN nature of the proposed algorithm.

Distributed Algorithm for Voronoi Partition of Wireless Sensor Networks with a Limited Sensing Range

PubMed Central

Feng, Zuren; Ren, Zhigang

2018-01-01

For Wireless Sensor Networks (WSNs), the Voronoi partition of a region is a challenging problem owing to the limited sensing ability of each sensor and the distributed organization of the network. In this paper, an algorithm is proposed for each sensor having a limited sensing range to compute its limited Voronoi cell autonomously, so that the limited Voronoi partition of the entire WSN is generated in a distributed manner. Inspired by Graham’s Scan (GS) algorithm used to compute the convex hull of a point set, the limited Voronoi cell of each sensor is obtained by sequentially scanning two consecutive bisectors between the sensor and its neighbors. The proposed algorithm called the Boundary Scan (BS) algorithm has a lower computational complexity than the existing Range-Constrained Voronoi Cell (RCVC) algorithm and reaches the lower bound of the computational complexity of the algorithms used to solve the problem of this kind. Moreover, it also improves the time efficiency of a key step in the Adjust-Sensing-Radius (ASR) algorithm used to compute the exact Voronoi cell. Extensive numerical simulations are performed to demonstrate the correctness and effectiveness of the BS algorithm. The distributed realization of the BS combined with a localization algorithm in WSNs is used to justify the WSN nature of the proposed algorithm. PMID:29401649

The Complex-Step-Finite-Difference method

NASA Astrophysics Data System (ADS)

Abreu, Rafael; Stich, Daniel; Morales, Jose

2015-07-01

We introduce the Complex-Step-Finite-Difference method (CSFDM) as a generalization of the well-known Finite-Difference method (FDM) for solving the acoustic and elastic wave equations. We have found a direct relationship between modelling the second-order wave equation by the FDM and the first-order wave equation by the CSFDM in 1-D, 2-D and 3-D acoustic media. We present the numerical methodology in order to apply the introduced CSFDM and show an example for wave propagation in simple homogeneous and heterogeneous models. The CSFDM may be implemented as an extension into pre-existing numerical techniques in order to obtain fourth- or sixth-order accurate results with compact three time-level stencils. We compare advantages of imposing various types of initial motion conditions of the CSFDM and demonstrate its higher-order accuracy under the same computational cost and dispersion-dissipation properties. The introduced method can be naturally extended to solve different partial differential equations arising in other fields of science and engineering.

Gaussian representation of high-intensity focused ultrasound beams.

PubMed

Soneson, Joshua E; Myers, Matthew R

2007-11-01

A method for fast numerical simulation of high-intensity focused ultrasound beams is derived. The method is based on the frequency-domain representation of the Khokhlov-Zabolotskaya-Kuznetsov (KZK) equation, and assumes for each harmonic a Gaussian transverse pressure distribution at all distances from the transducer face. The beamwidths of the harmonics are constrained to vary inversely with the square root of the harmonic number, and as such this method may be viewed as an extension of a quasilinear approximation. The technique is capable of determining pressure or intensity fields of moderately nonlinear high-intensity focused ultrasound beams in water or biological tissue, usually requiring less than a minute of computer time on a modern workstation. Moreover, this method is particularly well suited to high-gain simulations since, unlike traditional finite-difference methods, it is not subject to resolution limitations in the transverse direction. Results are shown to be in reasonable agreement with numerical solutions of the full KZK equation in both tissue and water for moderately nonlinear beams.

Peer review of RELAP5/MOD3 documentation

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

Craddick, W.G.

1993-12-31

A peer review was performed on a portion of the documentation of the RELAP5/MOD3 computer code. The review was performed in two phases. The first phase was a review of Volume 3, Developmental Assessment problems, and Volume 4, Models and Correlations. The reviewers for this phase were Dr. Peter Griffith, Dr. Yassin Hassan, Dr. Gerald S. Lellouche, Dr. Marino di Marzo and Mr. Mark Wendel. The reviewers recommended a number of improvements, including using a frozen version of the code for assessment guided by a validation plan, better justification for flow regime maps and extension of models beyond their datamore » base. The second phase was a review of Volume 6, Quality Assurance of Numerical Techniques in RELAP5/MOD3. The reviewers for the second phase were Mr. Mark Wendel and Dr. Paul T. Williams. Recommendations included correction of numerous grammatical and typographical errors and better justification for the use of Lax`s Equivalence Theorem.« less

A second-order shock-adaptive Godunov scheme based on the generalized Lagrangian formulation

NASA Astrophysics Data System (ADS)

Lepage, Claude

Application of the Godunov scheme to the Euler equations of gas dynamics, based on the Eulerian formulation of flow, smears discontinuities (especially sliplines) over several computational cells, while the accuracy in the smooth flow regions is of the order of a function of the cell width. Based on the generalized Lagrangian formulation (GLF), the Godunov scheme yields far superior results. By the use of coordinate streamlines in the GLF, the slipline (itself a streamline) is resolved crisply. Infinite shock resolution is achieved through the splitting of shock cells, while the accuracy in the smooth flow regions is improved using a nonconservative formulation of the governing equations coupled to a second order extension of the Godunov scheme. Furthermore, GLF requires no grid generation for boundary value problems and the simple structure of the solution to the Riemann problem in the GLF is exploited in the numerical implementation of the shock adaptive scheme. Numerical experiments reveal high efficiency and unprecedented resolution of shock and slipline discontinuities.

Modeling the Physics of Sliding Objects on Rotating Space Elevators and Other Non-relativistic Strings

NASA Astrophysics Data System (ADS)

Golubovic, Leonardo; Knudsen, Steven

2017-01-01

We consider general problem of modeling the dynamics of objects sliding on moving strings. We introduce a powerful computational algorithm that can be used to investigate the dynamics of objects sliding along non-relativistic strings. We use the algorithm to numerically explore fundamental physics of sliding climbers on a unique class of dynamical systems, Rotating Space Elevators (RSE). Objects sliding along RSE strings do not require internal engines or propulsion to be transported from the Earth's surface into outer space. By extensive numerical simulations, we find that sliding climbers may display interesting non-linear dynamics exhibiting both quasi-periodic and chaotic states of motion. While our main interest in this study is in the climber dynamics on RSEs, our results for the dynamics of sliding object are of more general interest. In particular, we designed tools capable of dealing with strongly nonlinear phenomena involving moving strings of any kind, such as the chaotic dynamics of sliding climbers observed in our simulations.

Mathematical and Numerical Techniques in Energy and Environmental Modeling

NASA Astrophysics Data System (ADS)

Chen, Z.; Ewing, R. E.

Mathematical models have been widely used to predict, understand, and optimize many complex physical processes, from semiconductor or pharmaceutical design to large-scale applications such as global weather models to astrophysics. In particular, simulation of environmental effects of air pollution is extensive. Here we address the need for using similar models to understand the fate and transport of groundwater contaminants and to design in situ remediation strategies. Three basic problem areas need to be addressed in the modeling and simulation of the flow of groundwater contamination. First, one obtains an effective model to describe the complex fluid/fluid and fluid/rock interactions that control the transport of contaminants in groundwater. This includes the problem of obtaining accurate reservoir descriptions at various length scales and modeling the effects of this heterogeneity in the reservoir simulators. Next, one develops accurate discretization techniques that retain the important physical properties of the continuous models. Finally, one develops efficient numerical solution algorithms that utilize the potential of the emerging computing architectures. We will discuss recent advances and describe the contribution of each of the papers in this book in these three areas. Keywords: reservoir simulation, mathematical models, partial differential equations, numerical algorithms

Transport of reacting solutes subject to a moving dissolution boundary: Numerical methods and solutions

USGS Publications Warehouse

Willis, Catherine; Rubin, Jacob

1987-01-01

A moving boundary problem which arises during transport with precipitation-dissolution reactions is solved by three different numerical methods. Two of these methods (one explicit and one implicit) are based on an integral formulation of mass balance and lead to an approximation of a weak solution. These methods are compared to a front-tracking scheme. Although the two approaches are conceptually different, the numerical solutions showed good agreement. As the ratio of dispersion to convection decreases, the methods based on the integral formulation become computationally more efficient. Specific reactions were modeled to examine the dependence of the system on the physical and chemical parameters. Although the water flow rate does not explicitly appear in the equation for the velocity of the moving boundary, the speed of the boundary depends more on the flux rate than on the dispersion coefficient. The discontinuity in the gradient of the solute concentration profile at the boundary increases with convection and with the initial concentration of the mineral. Our implicit method is extended to allow participation of the solutes in complexation reactions as well as the precipitation-dissolution reaction. This extension is easily made and does not change the basic method.

Kinetics of Diffusional Droplet Growth in a Liquid/Liquid Two-Phase System

NASA Technical Reports Server (NTRS)

Glicksman, M. E.; Fradkov, V. E.

1996-01-01

We address the problem of diffusional interactions in a finite sized cluster of spherical particles for volume fractions, V(sub v) in the range 0-0.01. We determined the quasi-static monopole diffusion solution for n particles distributed at random in a continuous matrix. A global mass conservation condition is employed, obviating the need for any external boundary condition. The numerical results provide the instantaneous (snapshot) growth or shrinkage rate of each particle, precluding the need for extensive time-dependent computations. The close connection between these snapshot results and the coarsegrained kinetic constants are discussed. A square-root dependence of the deviations of the rate constants from their zero volume fraction value is found for the higher V(sub v) investigated. This behavior is consistent with predictions from diffusion Debye-Huckel screening theory. By contrast, a cube-root dependence, reported in earlier numerical studies, is found for the lower V(sub v) investigated. The roll-over region of the volume fraction where the two asymptotics merge depends on the number of particles, n, alone. A theoretical estimate for the roll-over point predicts that the corresponding V(sub v) varies as n(sup -2), in good agreement with the numerical results.

Correlating heat and mass transfer coefficients for thermosolutal convection within a porous annulus of a circular shape: case of internal pollutants spreading

NASA Astrophysics Data System (ADS)

Ragui, Karim; Boutra, Abdelkader; Bennacer, Rachid; Labsi, Nabila; Benkahla, Youb Khaled

2018-07-01

The main purpose of our investigation is to show the impact of pertinent parameters; such Lewis and porous thermal Rayleigh numbers as well as the buoyancy and the aspect ratios; on the double-diffusive convection phenomena which occur within a porous annulus; found between a cold (and less concentric) outer circular cylinder and a hot (and concentric) inner one, to come out with global correlations which predict the mean transfer rates in such annulus. To do so, the physical model for the momentum conservation equation is made using the Brinkman extension of the classical Darcy equation. The set of coupled equations is solved using the finite volume method and the SIMPLER algorithm. Summarizing the numerical predictions, global correlations of overall transfer within the porous annulus as a function of the governing studied parameters are set forth which predict within ±2% the numerical results. These correlations may count as a complement to previous researches done in the case a Newtonian-fluid annulus. It is to note that the validity of the computing code used was ascertained by comparing our results with the experimental data and numerical ones already available in the literature.

Correlating heat and mass transfer coefficients for thermosolutal convection within a porous annulus of a circular shape: case of internal pollutants spreading

NASA Astrophysics Data System (ADS)

Ragui, Karim; Boutra, Abdelkader; Bennacer, Rachid; Labsi, Nabila; Benkahla, Youb Khaled

2018-02-01

The main purpose of our investigation is to show the impact of pertinent parameters; such Lewis and porous thermal Rayleigh numbers as well as the buoyancy and the aspect ratios; on the double-diffusive convection phenomena which occur within a porous annulus; found between a cold (and less concentric) outer circular cylinder and a hot (and concentric) inner one, to come out with global correlations which predict the mean transfer rates in such annulus. To do so, the physical model for the momentum conservation equation is made using the Brinkman extension of the classical Darcy equation. The set of coupled equations is solved using the finite volume method and the SIMPLER algorithm. Summarizing the numerical predictions, global correlations of overall transfer within the porous annulus as a function of the governing studied parameters are set forth which predict within ±2% the numerical results. These correlations may count as a complement to previous researches done in the case a Newtonian-fluid annulus. It is to note that the validity of the computing code used was ascertained by comparing our results with the experimental data and numerical ones already available in the literature.

Aerodynamic shape optimization using control theory

NASA Technical Reports Server (NTRS)

Reuther, James

1996-01-01

Aerodynamic shape design has long persisted as a difficult scientific challenge due its highly nonlinear flow physics and daunting geometric complexity. However, with the emergence of Computational Fluid Dynamics (CFD) it has become possible to make accurate predictions of flows which are not dominated by viscous effects. It is thus worthwhile to explore the extension of CFD methods for flow analysis to the treatment of aerodynamic shape design. Two new aerodynamic shape design methods are developed which combine existing CFD technology, optimal control theory, and numerical optimization techniques. Flow analysis methods for the potential flow equation and the Euler equations form the basis of the two respective design methods. In each case, optimal control theory is used to derive the adjoint differential equations, the solution of which provides the necessary gradient information to a numerical optimization method much more efficiently then by conventional finite differencing. Each technique uses a quasi-Newton numerical optimization algorithm to drive an aerodynamic objective function toward a minimum. An analytic grid perturbation method is developed to modify body fitted meshes to accommodate shape changes during the design process. Both Hicks-Henne perturbation functions and B-spline control points are explored as suitable design variables. The new methods prove to be computationally efficient and robust, and can be used for practical airfoil design including geometric and aerodynamic constraints. Objective functions are chosen to allow both inverse design to a target pressure distribution and wave drag minimization. Several design cases are presented for each method illustrating its practicality and efficiency. These include non-lifting and lifting airfoils operating at both subsonic and transonic conditions.

Technical notes and correspondence: Stochastic robustness of linear time-invariant control systems

NASA Technical Reports Server (NTRS)

Stengel, Robert F.; Ray, Laura R.

1991-01-01

A simple numerical procedure for estimating the stochastic robustness of a linear time-invariant system is described. Monte Carlo evaluations of the system's eigenvalues allows the probability of instability and the related stochastic root locus to be estimated. This analysis approach treats not only Gaussian parameter uncertainties but non-Gaussian cases, including uncertain-but-bounded variation. Confidence intervals for the scalar probability of instability address computational issues inherent in Monte Carlo simulation. Trivial extensions of the procedure admit consideration of alternate discriminants; thus, the probabilities that stipulated degrees of instability will be exceeded or that closed-loop roots will leave desirable regions can also be estimated. Results are particularly amenable to graphical presentation.

Graph-based structural change detection for rotating machinery monitoring

NASA Astrophysics Data System (ADS)

Lu, Guoliang; Liu, Jie; Yan, Peng

2018-01-01

Detection of structural changes is critically important in operational monitoring of a rotating machine. This paper presents a novel framework for this purpose, where a graph model for data modeling is adopted to represent/capture statistical dynamics in machine operations. Meanwhile we develop a numerical method for computing temporal anomalies in the constructed graphs. The martingale-test method is employed for the change detection when making decisions on possible structural changes, where excellent performance is demonstrated outperforming exciting results such as the autoregressive-integrated-moving average (ARIMA) model. Comprehensive experimental results indicate good potentials of the proposed algorithm in various engineering applications. This work is an extension of a recent result (Lu et al., 2017).

A Survey of Keystroke Dynamics Biometrics

PubMed Central

Yue, Shigang

2013-01-01

Research on keystroke dynamics biometrics has been increasing, especially in the last decade. The main motivation behind this effort is due to the fact that keystroke dynamics biometrics is economical and can be easily integrated into the existing computer security systems with minimal alteration and user intervention. Numerous studies have been conducted in terms of data acquisition devices, feature representations, classification methods, experimental protocols, and evaluations. However, an up-to-date extensive survey and evaluation is not yet available. The objective of this paper is to provide an insightful survey and comparison on keystroke dynamics biometrics research performed throughout the last three decades, as well as offering suggestions and possible future research directions. PMID:24298216

A unified monolithic approach for multi-fluid flows and fluid-structure interaction using the Particle Finite Element Method with fixed mesh

NASA Astrophysics Data System (ADS)

Becker, P.; Idelsohn, S. R.; Oñate, E.

2015-06-01

This paper describes a strategy to solve multi-fluid and fluid-structure interaction (FSI) problems using Lagrangian particles combined with a fixed finite element (FE) mesh. Our approach is an extension of the fluid-only PFEM-2 (Idelsohn et al., Eng Comput 30(2):2-2, 2013; Idelsohn et al., J Numer Methods Fluids, 2014) which uses explicit integration over the streamlines to improve accuracy. As a result, the convective term does not appear in the set of equations solved on the fixed mesh. Enrichments in the pressure field are used to improve the description of the interface between phases.

Hierarchic models for laminated plates

NASA Technical Reports Server (NTRS)

Szabo, Barna A.; Actis, Ricardo L.

1991-01-01

The research conducted in the formulation of hierarchic models for laminated plates is described. The work is an extension of the work done for laminated strips. The use of a single parameter, beta, is investigated that represents the degree to which the equilibrium equations of three dimensional elasticity are satisfied. The powers of beta identify members in the hierarchic sequence. Numerical examples that were analyzed with the proposed sequence of models are included. The results obtained for square plates with uniform loading and homogeneous boundary conditions are very encouraging. Several cross-ply and angle-ply laminates were evaluated and the results compared with those of the fully three dimensional model, computed using MSC/PROBE, and with previously reported work on laminated strips.

The complete process of large elastic-plastic deflection of a cantilever

NASA Astrophysics Data System (ADS)

Wu, Xiaoqiang; Yu, Tongxi

1986-11-01

An extension of the Elastica theory is developed to study the large deflection of an elastic-perfectly plastic horizontal cantilever beam subjected to a vertical concentrated force at its tip. The entire process is divided into four stages: I.elastic in the whole cantilever; II.loading and developing of the plastic region; III.unloading in the plastic region; and IV.reverse loading. Solutions for stages I and II are presented in a closed form. A combination of closed-form solution and numerical integration is presented for stage III. Finally, stage IV is qualitatively studied. Computed results are given and compared with those from small-deflection theory and from the Elastica theory.

Simulation of router action on a lathe to test the cutting tool performance in edge-trimming of graphite/epoxy composite

NASA Astrophysics Data System (ADS)

Ramulu, M.; Rogers, E.

1994-04-01

The predominant machining application with graphite/epoxy composite materials in aerospace industry is peripheral trimming. The computer numerically controlled (CNC) high speed routers required to do edge trimming work are generally scheduled for production work in industry and are not available for extensive cutter testing. Therefore, an experimental method of simulating the conditions of periphery trim using a lathe is developed in this paper. The validity of the test technique will be demonstrated by conducting carbide tool wear tests under dry cutting conditions. The experimental results will be analyzed to characterize the wear behavior of carbide cutting tools in machining the composite materials.

Hierarchic plate and shell models based on p-extension

NASA Technical Reports Server (NTRS)

Szabo, Barna A.; Sahrmann, Glenn J.

1988-01-01

Formulations of finite element models for beams, arches, plates and shells based on the principle of virtual work was studied. The focus is on computer implementation of hierarchic sequences of finite element models suitable for numerical solution of a large variety of practical problems which may concurrently contain thin and thick plates and shells, stiffeners, and regions where three dimensional representation is required. The approximate solutions corresponding to the hierarchic sequence of models converge to the exact solution of the fully three dimensional model. The stopping criterion is based on: (1) estimation of the relative error in energy norm; (2) equilibrium tests, and (3) observation of the convergence of quantities of interest.

Dimensional reduction of the Standard Model coupled to a new singlet scalar field

NASA Astrophysics Data System (ADS)

Brauner, Tomáš; Tenkanen, Tuomas V. I.; Tranberg, Anders; Vuorinen, Aleksi; Weir, David J.

2017-03-01

We derive an effective dimensionally reduced theory for the Standard Model augmented by a real singlet scalar. We treat the singlet as a superheavy field and integrate it out, leaving an effective theory involving only the Higgs and SU(2) L × U(1) Y gauge fields, identical to the one studied previously for the Standard Model. This opens up the possibility of efficiently computing the order and strength of the electroweak phase transition, numerically and nonperturbatively, in this extension of the Standard Model. Understanding the phase diagram is crucial for models of electroweak baryogenesis and for studying the production of gravitational waves at thermal phase transitions.

Effective Mass of a Single π0 Interacting With Itself

NASA Astrophysics Data System (ADS)

Eldridge, J. M.; Orginos, K.

2014-09-01

The effective mass of a single π0 π on when interacting with itself has been calculated. The calculation was done using C++ and It++, a C++ library extension which attempts to emulate MATLAB. This calculation was done by generating a matrix G from a database, and two meson state matrices M0, and M1. G, M0, and M1 are each 1584 × 1584 , however, careful algebra, knowing the properties of these matrices, enables only the top left 792 × 792 block of each to be created, saving computation time and reducing numerical error. The π0 self-interacting-effective-mass has been calculated to be 0.0755(190).

3D Geodynamic Modelling Reveals Stress and Strain Partitioning within Continental Rifting

NASA Astrophysics Data System (ADS)

Rey, P. F.; Mondy, L. S.; Duclaux, G.; Moresi, L. N.

2014-12-01

The relative movement between two divergent rigid plates on a sphere can be described using a Euler pole and an angular velocity. On Earth, this typically results in extensional velocities increasing linearly as a function of the distance from the pole (for example in the South Atlantic, North Atlantic, Woodlark Basin, Red Sea Basin, etc.). This property has strong implications for continental rifting and the formation of passive margins, given the role that extensional velocity plays on both rift style (wide or narrow), fault pattern, subsidence histories, and magmatism. Until now, this scissor-style opening has been approached via suites of 2D numerical models of contrasting extensional velocities, complimenting field geology and geophysics. New advances in numerical modelling tools and computational hardware have enabled us to investigate the geodynamics of this problem in a 3D self-consistent high-resolution context. Using Underworld at a grid resolution of 2 km over a domain of 500 km x 500 km x 180 km, we have explored the role of the velocity gradient on the strain pattern, style of rifting, and decompression melting, along the margin. We find that the three dimensionality of this problem is important. The rise of the asthenosphere is enhanced in 2D models compared to 3D numerical solutions, due to the limited volume of material available in 2D. This leads to oceanisation occurring significantly sooner in 2D models. The 3D model shows that there is a significant time and space dependent flows parallel to the rift-axis. A similar picture emerges from the stress field, showing time and space partitioning, including regions of compression separating areas dominated by extension. The strain pattern shows strong zonation along the rift axis, with increasingly localised deformation with extension velocity and though time.

Semiannual report, 1 April - 30 September 1991

NASA Technical Reports Server (NTRS)

1991-01-01

The major categories of the current Institute for Computer Applications in Science and Engineering (ICASE) research program are: (1) numerical methods, with particular emphasis on the development and analysis of basic numerical algorithms; (2) control and parameter identification problems, with emphasis on effective numerical methods; (3) computational problems in engineering and the physical sciences, particularly fluid dynamics, acoustics, and structural analysis; and (4) computer systems and software for parallel computers. Research in these areas is discussed.

Public Sector Agricultural Extension System Reform and the Challenges Ahead

ERIC Educational Resources Information Center

Rivera, William M.

2011-01-01

This paper is organized into two main sections. The first section examines extension as an engine for innovation and reviews the numerous priorities confronting extension systems. Section two highlights the current knowledge imperative and the critical connection of extension to post-secondary higher education and training, organizational…

48 CFR 6302.6 - Computation and extension of time limits (Rule 6).

Code of Federal Regulations, 2010 CFR

2010-10-01

... of time limits (Rule 6). 6302.6 Section 6302.6 Federal Acquisition Regulations System DEPARTMENT OF TRANSPORTATION BOARD OF CONTRACT APPEALS RULES OF PROCEDURE 6302.6 Computation and extension of time limits (Rule 6). (a) Computation. Except as otherwise provided by law, in computing any period of time prescribed...

Coordinate Systems, Numerical Objects and Algorithmic Operations of Computational Experiment in Fluid Mechanics

NASA Astrophysics Data System (ADS)

Degtyarev, Alexander; Khramushin, Vasily

2016-02-01

The paper deals with the computer implementation of direct computational experiments in fluid mechanics, constructed on the basis of the approach developed by the authors. The proposed approach allows the use of explicit numerical scheme, which is an important condition for increasing the effciency of the algorithms developed by numerical procedures with natural parallelism. The paper examines the main objects and operations that let you manage computational experiments and monitor the status of the computation process. Special attention is given to a) realization of tensor representations of numerical schemes for direct simulation; b) realization of representation of large particles of a continuous medium motion in two coordinate systems (global and mobile); c) computing operations in the projections of coordinate systems, direct and inverse transformation in these systems. Particular attention is paid to the use of hardware and software of modern computer systems.

An arbitrary high-order Discontinuous Galerkin method for elastic waves on unstructured meshes - III. Viscoelastic attenuation

NASA Astrophysics Data System (ADS)

Käser, Martin; Dumbser, Michael; de la Puente, Josep; Igel, Heiner

2007-01-01

We present a new numerical method to solve the heterogeneous anelastic, seismic wave equations with arbitrary high order accuracy in space and time on 3-D unstructured tetrahedral meshes. Using the velocity-stress formulation provides a linear hyperbolic system of equations with source terms that is completed by additional equations for the anelastic functions including the strain history of the material. These additional equations result from the rheological model of the generalized Maxwell body and permit the incorporation of realistic attenuation properties of viscoelastic material accounting for the behaviour of elastic solids and viscous fluids. The proposed method combines the Discontinuous Galerkin (DG) finite element (FE) method with the ADER approach using Arbitrary high order DERivatives for flux calculations. The DG approach, in contrast to classical FE methods, uses a piecewise polynomial approximation of the numerical solution which allows for discontinuities at element interfaces. Therefore, the well-established theory of numerical fluxes across element interfaces obtained by the solution of Riemann problems can be applied as in the finite volume framework. The main idea of the ADER time integration approach is a Taylor expansion in time in which all time derivatives are replaced by space derivatives using the so-called Cauchy-Kovalewski procedure which makes extensive use of the governing PDE. Due to the ADER time integration technique the same approximation order in space and time is achieved automatically and the method is a one-step scheme advancing the solution for one time step without intermediate stages. To this end, we introduce a new unrolled recursive algorithm for efficiently computing the Cauchy-Kovalewski procedure by making use of the sparsity of the system matrices. The numerical convergence analysis demonstrates that the new schemes provide very high order accuracy even on unstructured tetrahedral meshes while computational cost and storage space for a desired accuracy can be reduced when applying higher degree approximation polynomials. In addition, we investigate the increase in computing time, when the number of relaxation mechanisms due to the generalized Maxwell body are increased. An application to a well-acknowledged test case and comparisons with analytic and reference solutions, obtained by different well-established numerical methods, confirm the performance of the proposed method. Therefore, the development of the highly accurate ADER-DG approach for tetrahedral meshes including viscoelastic material provides a novel, flexible and efficient numerical technique to approach 3-D wave propagation problems including realistic attenuation and complex geometry.

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

Research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, numerical analysis and computer science

NASA Technical Reports Server (NTRS)

1987-01-01

Research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, numerical analysis, and computer science during the period April, 1986 through September 30, 1986 is summarized.

Modeling spatial patterns of wildfire susceptibility in southern California: Applications of MODIS remote sensing data and mesoscale numerical weather models

NASA Astrophysics Data System (ADS)

Schneider, Philipp

This dissertation investigates the potential of Moderate Resolution Imaging Spectroradiometer (MODIS) imagery and mesoscale numerical weather models for mapping wildfire susceptibility in general and for improving the Fire Potential Index (FPI) in southern California in particular. The dissertation explores the use of the Visible Atmospherically Resistant Index (VARI) from MODIS data for mapping relative greenness (RG) of vegetation and subsequently for computing the FPI. VARI-based RG was validated against in situ observations of live fuel moisture. The results indicate that VARI is superior to the previously used Normalized Difference Vegetation Index (NDVI) for computing RG. FPI computed using VARI-based RG was found to outperform the traditional FPI when validated against historical fire detections using logistic regression. The study further investigates the potential of using Multiple Endmember Spectral Mixture Analysis (MESMA) on MODIS data for estimating live and dead fractions of vegetation. MESMA fractions were compared against in situ measurements and fractions derived from data of a high-resolution, hyperspectral sensor. The results show that live and dead fractions obtained from MODIS using MESMA are well correlated with the reference data. Further, FPI computed using MESMA-based green vegetation fraction in lieu of RG was validated against historical fire occurrence data. MESMA-based FPI performs at a comparable level to the traditional NDVI-based FPI, but can do so using a single MODIS image rather than an extensive remote sensing time series as required for the RG approach. Finally this dissertation explores the potential of integrating gridded wind speed data obtained from the MM5 mesoscale numerical weather model in the FPI. A new fire susceptibility index, the Wind-Adjusted Fire Potential Index (WAFPI), was introduced. It modifies the FPI algorithm by integrating normalized wind speed. Validating WAFPI against historical wildfire events using logistic regression indicates that gridded data sets of wind speed are a valuable addition to the FPI as they can significantly increase the probability range of the fitted model and can further increase the model's discriminatory power over that of the traditional FPI.

The Osher scheme for real gases

NASA Technical Reports Server (NTRS)

Suresh, Ambady; Liou, Meng-Sing

1990-01-01

An extension of Osher's approximate Riemann solver to include gases with an arbitrary equation of state is presented. By a judicious choice of thermodynamic variables, the Riemann invariats are reduced to quadratures which are then approximated numerically. The extension is rigorous and does not involve any further assumptions or approximations over the ideal gas case. Numerical results are presented to demonstrate the feasibility and accuracy of the proposed method.

Zephyr: Open-source Parallel Seismic Waveform Inversion in an Integrated Python-based Framework

NASA Astrophysics Data System (ADS)

Smithyman, B. R.; Pratt, R. G.; Hadden, S. M.

2015-12-01

Seismic Full-Waveform Inversion (FWI) is an advanced method to reconstruct wave properties of materials in the Earth from a series of seismic measurements. These methods have been developed by researchers since the late 1980s, and now see significant interest from the seismic exploration industry. As researchers move towards implementing advanced numerical modelling (e.g., 3D, multi-component, anisotropic and visco-elastic physics), it is desirable to make use of a modular approach, minimizing the effort developing a new set of tools for each new numerical problem. SimPEG (http://simpeg.xyz) is an open source project aimed at constructing a general framework to enable geophysical inversion in various domains. In this abstract we describe Zephyr (https://github.com/bsmithyman/zephyr), which is a coupled research project focused on parallel FWI in the seismic context. The software is built on top of Python, Numpy and IPython, which enables very flexible testing and implementation of new features. Zephyr is an open source project, and is released freely to enable reproducible research. We currently implement a parallel, distributed seismic forward modelling approach that solves the 2.5D (two-and-one-half dimensional) viscoacoustic Helmholtz equation at a range modelling frequencies, generating forward solutions for a given source behaviour, and gradient solutions for a given set of observed data. Solutions are computed in a distributed manner on a set of heterogeneous workers. The researcher's frontend computer may be separated from the worker cluster by a network link to enable full support for computation on remote clusters from individual workstations or laptops. The present codebase introduces a numerical discretization equivalent to that used by FULLWV, a well-known seismic FWI research codebase. This makes it straightforward to compare results from Zephyr directly with FULLWV. The flexibility introduced by the use of a Python programming environment makes extension of the codebase with new methods much more straightforward. This enables comparison and integration of new efforts with existing results.

Numerical developments for short-pulsed Near Infra-Red laser spectroscopy. Part I: direct treatment

NASA Astrophysics Data System (ADS)

Boulanger, Joan; Charette, André

2005-03-01

This two part study is devoted to the numerical treatment of short-pulsed laser near infra-red spectroscopy. The overall goal is to address the possibility of numerical inverse treatment based on a recently developed direct model to solve the transient radiative transfer equation. This model has been constructed in order to incorporate the last improvements in short-pulsed laser interaction with semi-transparent media and combine a discrete ordinates computing of the implicit source term appearing in the radiative transfer equation with an explicit treatment of the transport of the light intensity using advection schemes, a method encountered in reactive flow dynamics. The incident collimated beam is analytically solved through Bouger Beer Lambert extinction law. In this first part, the direct model is extended to fully non-homogeneous materials and tested with two different spatial schemes in order to be adapted to the inversion methods presented in the following second part. As a first point, fundamental methods and schemes used in the direct model are presented. Then, tests are conducted by comparison with numerical simulations given as references. In a third and last part, multi-dimensional extensions of the code are provided. This allows presentation of numerical results of short pulses propagation in 1, 2 and 3D homogeneous and non-homogeneous materials given some parametrical studies on medium properties and pulse shape. For comparison, an integral method adapted to non-homogeneous media irradiated by a pulsed laser beam is also developed for the 3D case.

Research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, numerical analysis and computer science

NASA Technical Reports Server (NTRS)

1988-01-01

This report summarizes research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, numerical analysis, and computer science during the period April l, 1988 through September 30, 1988.

Summary of research in applied mathematics, numerical analysis and computer science at the Institute for Computer Applications in Science and Engineering

NASA Technical Reports Server (NTRS)

1984-01-01

Research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, numerical analysis and computer science during the period October 1, 1983 through March 31, 1984 is summarized.

Research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, numerical analysis and computer science

NASA Technical Reports Server (NTRS)

1987-01-01

Research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, numerical analysis, and computer science during the period October 1, 1986 through March 31, 1987 is summarized.

In Praise of Numerical Computation

NASA Astrophysics Data System (ADS)

Yap, Chee K.

Theoretical Computer Science has developed an almost exclusively discrete/algebraic persona. We have effectively shut ourselves off from half of the world of computing: a host of problems in Computational Science & Engineering (CS&E) are defined on the continuum, and, for them, the discrete viewpoint is inadequate. The computational techniques in such problems are well-known to numerical analysis and applied mathematics, but are rarely discussed in theoretical algorithms: iteration, subdivision and approximation. By various case studies, I will indicate how our discrete/algebraic view of computing has many shortcomings in CS&E. We want embrace the continuous/analytic view, but in a new synthesis with the discrete/algebraic view. I will suggest a pathway, by way of an exact numerical model of computation, that allows us to incorporate iteration and approximation into our algorithms’ design. Some recent results give a peek into how this view of algorithmic development might look like, and its distinctive form suggests the name “numerical computational geometry” for such activities.

Summary of research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, numerical analysis and computer science

NASA Technical Reports Server (NTRS)

1989-01-01

Research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, numerical analysis, and computer science during the period October 1, 1988 through March 31, 1989 is summarized.

Numerical models as interactive art

NASA Astrophysics Data System (ADS)

Donchyts, G.; Baart, F.; van de Pas, B.; Joling, A.

2017-12-01

We capture our understanding of the environment in advanced computer models. We use these numerical models to simulate the growth of deltas, meandering rivers, dune erosion, river floodings, effects of interventions. If presented with care, models can help understand the complexity of our environment and show the beautiful patterns of nature. While the topics are relevant and appealing to the general public the use of numerical models has been limited to technical users. Not many people have appreciations for the pluriform of options, esoteric user interfaces, manual editing of configuration files and extensive jargon. The models are static, you can start them, but then you have to wait, usually hours or more, for the results to become available, not something that you could imagine resulting in an immersive, interactive experience for the general public. How can we go beyond just using results? How can we adapt existing numerical models so they can be used in an interactive environment? How can we touch them and feel them? Here we show how we adapted existing models (Delft3D, Lisflood, XBeach) and reused them in as the basis for interactive exhibitions in museums with an educative goal. We present our structured approach which consists of combining a story, inspiration, a canvas, colors, shapes and interactive elements. We show how the progression from simple presentation forms to interactive art installations.

Isochronal Ice Sheet Model: a New Approach to Tracer Transport by Explicitly Tracing Accumulation Layers

NASA Astrophysics Data System (ADS)

Born, A.; Stocker, T. F.

2014-12-01

The long, high-resolution and largely undisturbed depositional record of polar ice sheets is one of the greatest resources in paleoclimate research. The vertical profile of isotopic and other geochemical tracers provides a full history of depositional and dynamical variations. Numerical simulations of this archive could afford great advances both in the interpretation of these tracers as well as to help improve ice sheet models themselves, as show successful implementations in oceanography and atmospheric dynamics. However, due to the slow advection velocities, tracer modeling in ice sheets is particularly prone to numerical diffusion, thwarting efforts that employ straightforward solutions. Previous attemps to circumvent this issue follow conceptually and computationally extensive approaches that augment traditional Eulerian models of ice flow with a semi-Lagrangian tracer scheme (e.g. Clarke et al., QSR, 2005). Here, we propose a new vertical discretization for ice sheet models that eliminates numerical diffusion entirely. Vertical motion through the model mesh is avoided by mimicking the real-world ice flow as a thinning of underlying layers (see figure). A new layer is added to the surface at equidistant time intervals (isochronally). Therefore, each layer is uniquely identified with an age. Horizontal motion follows the shallow ice approximation using an implicit numerical scheme. Vertical diffusion of heat which is physically desirable is also solved implicitly. A simulation of a two-dimensional section through the Greenland ice sheet will be discussed.

THC-MP: High performance numerical simulation of reactive transport and multiphase flow in porous media

NASA Astrophysics Data System (ADS)

Wei, Xiaohui; Li, Weishan; Tian, Hailong; Li, Hongliang; Xu, Haixiao; Xu, Tianfu

2015-07-01

The numerical simulation of multiphase flow and reactive transport in the porous media on complex subsurface problem is a computationally intensive application. To meet the increasingly computational requirements, this paper presents a parallel computing method and architecture. Derived from TOUGHREACT that is a well-established code for simulating subsurface multi-phase flow and reactive transport problems, we developed a high performance computing THC-MP based on massive parallel computer, which extends greatly on the computational capability for the original code. The domain decomposition method was applied to the coupled numerical computing procedure in the THC-MP. We designed the distributed data structure, implemented the data initialization and exchange between the computing nodes and the core solving module using the hybrid parallel iterative and direct solver. Numerical accuracy of the THC-MP was verified through a CO2 injection-induced reactive transport problem by comparing the results obtained from the parallel computing and sequential computing (original code). Execution efficiency and code scalability were examined through field scale carbon sequestration applications on the multicore cluster. The results demonstrate successfully the enhanced performance using the THC-MP on parallel computing facilities.

The Computable Catchment: An executable document for model-data software sharing, reproducibility and interactive visualization

NASA Astrophysics Data System (ADS)

Gil, Y.; Duffy, C.

2015-12-01

This paper proposes the concept of a "Computable Catchment" which is used to develop a collaborative platform for watershed modeling and data analysis. The object of the research is a sharable, executable document similar to a pdf, but one that includes documentation of the underlying theoretical concepts, interactive computational/numerical resources, linkage to essential data repositories and the ability for interactive model-data visualization and analysis. The executable document for each catchment is stored in the cloud with automatic provisioning and a unique identifier allowing collaborative model and data enhancements for historical hydroclimatic reconstruction and/or future landuse or climate change scenarios to be easily reconstructed or extended. The Computable Catchment adopts metadata standards for naming all variables in the model and the data. The a-priori or initial data is derived from national data sources for soils, hydrogeology, climate, and land cover available from the www.hydroterre.psu.edu data service (Leonard and Duffy, 2015). The executable document is based on Wolfram CDF or Computable Document Format with an interactive open-source reader accessible by any modern computing platform. The CDF file and contents can be uploaded to a website or simply shared as a normal document maintaining all interactive features of the model and data. The Computable Catchment concept represents one application for Geoscience Papers of the Future representing an extensible document that combines theory, models, data and analysis that are digitally shared, documented and reused among research collaborators, students, educators and decision makers.

Research in progress in applied mathematics, numerical analysis, fluid mechanics, and computer science

NASA Technical Reports Server (NTRS)

1994-01-01

This report summarizes research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, fluid mechanics, and computer science during the period October 1, 1993 through March 31, 1994. The major categories of the current ICASE research program are: (1) applied and numerical mathematics, including numerical analysis and algorithm development; (2) theoretical and computational research in fluid mechanics in selected areas of interest to LaRC, including acoustics and combustion; (3) experimental research in transition and turbulence and aerodynamics involving LaRC facilities and scientists; and (4) computer science.

Evaluation of a computational model to predict elbow range of motion

PubMed Central

Nishiwaki, Masao; Johnson, James A.; King, Graham J. W.; Athwal, George S.

2014-01-01

Computer models capable of predicting elbow flexion and extension range of motion (ROM) limits would be useful for assisting surgeons in improving the outcomes of surgical treatment of patients with elbow contractures. A simple and robust computer-based model was developed that predicts elbow joint ROM using bone geometries calculated from computed tomography image data. The model assumes a hinge-like flexion-extension axis, and that elbow passive ROM limits can be based on terminal bony impingement. The model was validated against experimental results with a cadaveric specimen, and was able to predict the flexion and extension limits of the intact joint to 0° and 3°, respectively. The model was also able to predict the flexion and extension limits to 1° and 2°, respectively, when simulated osteophytes were inserted into the joint. Future studies based on this approach will be used for the prediction of elbow flexion-extension ROM in patients with primary osteoarthritis to help identify motion-limiting hypertrophic osteophytes, and will eventually permit real-time computer-assisted navigated excisions. PMID:24841799

ICASE semiannual report, April 1 - September 30, 1989

NASA Technical Reports Server (NTRS)

1990-01-01

The Institute conducts unclassified basic research in applied mathematics, numerical analysis, and computer science in order to extend and improve problem-solving capabilities in science and engineering, particularly in aeronautics and space. The major categories of the current Institute for Computer Applications in Science and Engineering (ICASE) research program are: (1) numerical methods, with particular emphasis on the development and analysis of basic numerical algorithms; (2) control and parameter identification problems, with emphasis on effective numerical methods; (3) computational problems in engineering and the physical sciences, particularly fluid dynamics, acoustics, and structural analysis; and (4) computer systems and software, especially vector and parallel computers. ICASE reports are considered to be primarily preprints of manuscripts that have been submitted to appropriate research journals or that are to appear in conference proceedings.

A History of Computer Numerical Control.

ERIC Educational Resources Information Center

Haggen, Gilbert L.

Computer numerical control (CNC) has evolved from the first significant counting method--the abacus. Babbage had perhaps the greatest impact on the development of modern day computers with his analytical engine. Hollerith's functioning machine with punched cards was used in tabulating the 1890 U.S. Census. In order for computers to become a…

Nonlinear Computational Aeroelasticity: Formulations and Solution Algorithms

DTIC Science & Technology

2003-03-01

problem is proposed. Fluid-structure coupling algorithms are then discussed with some emphasis on distributed computing strategies. Numerical results...the structure and the exchange of structure motion to the fluid. The computational fluid dynamics code PFES is our finite element code for the numerical ...unstructured meshes). It was numerically demonstrated [1-3] that EBS can be less diffusive than SUPG [4-6] and the standard Finite Volume schemes

FINAL REPORT (MILESTONE DATE 9/30/11) FOR SUBCONTRACT NO. B594099 NUMERICAL METHODS FOR LARGE-SCALE DATA FACTORIZATION

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

De Sterck, H

2011-10-18

The following work has been performed by PI Hans De Sterck and graduate student Manda Winlaw for the required tasks 1-5 (as listed in the Statement of Work). Graduate student Manda Winlaw has visited LLNL January 31-March 11, 2011 and May 23-August 19, 2010, working with Van Henson and Mike O'Hara on non-negative matrix factorizations (NMF). She has investigated the dense subgraph clustering algorithm from 'Finding Dense Subgraphs for Sparse Undirected, Directed, and Bipartite Graphs' by Chen and Saad, testing this method on several term-document matrices and adapting it to cluster based on the rank of the subgraphs instead ofmore » the density. Manda Winlaw was awarded a first prize in the annual LLNL summer student poster competition for a poster on her NMF research. PI Hans De Sterck has developed a new adaptive algebraic multigrid algorithm for computing a few dominant or minimal singular triplets of sparse rectangular matrices. This work builds on adaptive algebraic multigrid methods that were further developed by the PI and collaborators (including Sanders and Henson) for Markov chains. The method also combines and extends existing multigrid algorithms for the symmetric eigenproblem. The PI has visited LLNL February 22-25, 2011, and has given a CASC seminar 'Algebraic Multigrid for the Singular Value Problem' on this work on February 23, 2011. During his visit, he has discussed this work and related topics with Van Henson, Geoffrey Sanders, Panayot Vassilevski, and others. He has tested the algorithm on PDE matrices and on a term-document matrix, with promising initial results. Manda Winlaw has also started to work, with O'Hara, on estimating probability distributions over undirected graph edges. The goal is to estimate probabilistic models from sets of undirected graph edges for the purpose of prediction, anomaly detection and support to supervised learning. Graduate student Manda Winlaw is writing a paper on the results obtained with O'Hara which will be submitted some time later in 2011 to a data mining conference. PI Hans De Sterck has developed a new optimization algorithm for canonical tensor approximation, formulating an extension of the nonlinear GMRES method to optimization problems. Numerical results for tensors with up to 8 modes show that this new method is efficient for sparse and dense tensors. He has written a paper on this which has been submitted to the SIAM Journal on Scientific Computing. PI Hans De Sterck has further developed his new optimization algorithm for canonical tensor approximation, formulating an extension in terms of steepest-descent preconditioning, which makes the approach generally applicable for nonlinear optimization. He has written a paper on this extension which has been submitted to Numerical Linear Algebra with Applications.« less

Trust-Enhanced Cloud Service Selection Model Based on QoS Analysis.

PubMed

Pan, Yuchen; Ding, Shuai; Fan, Wenjuan; Li, Jing; Yang, Shanlin

2015-01-01

Cloud computing technology plays a very important role in many areas, such as in the construction and development of the smart city. Meanwhile, numerous cloud services appear on the cloud-based platform. Therefore how to how to select trustworthy cloud services remains a significant problem in such platforms, and extensively investigated owing to the ever-growing needs of users. However, trust relationship in social network has not been taken into account in existing methods of cloud service selection and recommendation. In this paper, we propose a cloud service selection model based on the trust-enhanced similarity. Firstly, the direct, indirect, and hybrid trust degrees are measured based on the interaction frequencies among users. Secondly, we estimate the overall similarity by combining the experience usability measured based on Jaccard's Coefficient and the numerical distance computed by Pearson Correlation Coefficient. Then through using the trust degree to modify the basic similarity, we obtain a trust-enhanced similarity. Finally, we utilize the trust-enhanced similarity to find similar trusted neighbors and predict the missing QoS values as the basis of cloud service selection and recommendation. The experimental results show that our approach is able to obtain optimal results via adjusting parameters and exhibits high effectiveness. The cloud services ranking by our model also have better QoS properties than other methods in the comparison experiments.

Recursive regularization step for high-order lattice Boltzmann methods

NASA Astrophysics Data System (ADS)

Coreixas, Christophe; Wissocq, Gauthier; Puigt, Guillaume; Boussuge, Jean-François; Sagaut, Pierre

2017-09-01

A lattice Boltzmann method (LBM) with enhanced stability and accuracy is presented for various Hermite tensor-based lattice structures. The collision operator relies on a regularization step, which is here improved through a recursive computation of nonequilibrium Hermite polynomial coefficients. In addition to the reduced computational cost of this procedure with respect to the standard one, the recursive step allows to considerably enhance the stability and accuracy of the numerical scheme by properly filtering out second- (and higher-) order nonhydrodynamic contributions in under-resolved conditions. This is first shown in the isothermal case where the simulation of the doubly periodic shear layer is performed with a Reynolds number ranging from 104 to 106, and where a thorough analysis of the case at Re=3 ×104 is conducted. In the latter, results obtained using both regularization steps are compared against the Bhatnagar-Gross-Krook LBM for standard (D2Q9) and high-order (D2V17 and D2V37) lattice structures, confirming the tremendous increase of stability range of the proposed approach. Further comparisons on thermal and fully compressible flows, using the general extension of this procedure, are then conducted through the numerical simulation of Sod shock tubes with the D2V37 lattice. They confirm the stability increase induced by the recursive approach as compared with the standard one.

A GPU-accelerated semi-implicit fractional step method for numerical solutions of incompressible Navier-Stokes equations

NASA Astrophysics Data System (ADS)

Ha, Sanghyun; Park, Junshin; You, Donghyun

2017-11-01

Utility of the computational power of modern Graphics Processing Units (GPUs) is elaborated for solutions of incompressible Navier-Stokes equations which are integrated using a semi-implicit fractional-step method. Due to its serial and bandwidth-bound nature, the present choice of numerical methods is considered to be a good candidate for evaluating the potential of GPUs for solving Navier-Stokes equations using non-explicit time integration. An efficient algorithm is presented for GPU acceleration of the Alternating Direction Implicit (ADI) and the Fourier-transform-based direct solution method used in the semi-implicit fractional-step method. OpenMP is employed for concurrent collection of turbulence statistics on a CPU while Navier-Stokes equations are computed on a GPU. Extension to multiple NVIDIA GPUs is implemented using NVLink supported by the Pascal architecture. Performance of the present method is experimented on multiple Tesla P100 GPUs compared with a single-core Xeon E5-2650 v4 CPU in simulations of boundary-layer flow over a flat plate. Supported by the National Research Foundation of Korea (NRF) Grant funded by the Korea government (Ministry of Science, ICT and Future Planning NRF-2016R1E1A2A01939553, NRF-2014R1A2A1A11049599, and Ministry of Trade, Industry and Energy 201611101000230).

Magnus integrators on multicore CPUs and GPUs

NASA Astrophysics Data System (ADS)

Auer, N.; Einkemmer, L.; Kandolf, P.; Ostermann, A.

2018-07-01

In the present paper we consider numerical methods to solve the discrete Schrödinger equation with a time dependent Hamiltonian (motivated by problems encountered in the study of spin systems). We will consider both short-range interactions, which lead to evolution equations involving sparse matrices, and long-range interactions, which lead to dense matrices. Both of these settings show very different computational characteristics. We use Magnus integrators for time integration and employ a framework based on Leja interpolation to compute the resulting action of the matrix exponential. We consider both traditional Magnus integrators (which are extensively used for these types of problems in the literature) as well as the recently developed commutator-free Magnus integrators and implement them on modern CPU and GPU (graphics processing unit) based systems. We find that GPUs can yield a significant speed-up (up to a factor of 10 in the dense case) for these types of problems. In the sparse case GPUs are only advantageous for large problem sizes and the achieved speed-ups are more modest. In most cases the commutator-free variant is superior but especially on the GPU this advantage is rather small. In fact, none of the advantage of commutator-free methods on GPUs (and on multi-core CPUs) is due to the elimination of commutators. This has important consequences for the design of more efficient numerical methods.

Trust-Enhanced Cloud Service Selection Model Based on QoS Analysis

PubMed Central

Pan, Yuchen; Ding, Shuai; Fan, Wenjuan; Li, Jing; Yang, Shanlin

2015-01-01

Cloud computing technology plays a very important role in many areas, such as in the construction and development of the smart city. Meanwhile, numerous cloud services appear on the cloud-based platform. Therefore how to how to select trustworthy cloud services remains a significant problem in such platforms, and extensively investigated owing to the ever-growing needs of users. However, trust relationship in social network has not been taken into account in existing methods of cloud service selection and recommendation. In this paper, we propose a cloud service selection model based on the trust-enhanced similarity. Firstly, the direct, indirect, and hybrid trust degrees are measured based on the interaction frequencies among users. Secondly, we estimate the overall similarity by combining the experience usability measured based on Jaccard’s Coefficient and the numerical distance computed by Pearson Correlation Coefficient. Then through using the trust degree to modify the basic similarity, we obtain a trust-enhanced similarity. Finally, we utilize the trust-enhanced similarity to find similar trusted neighbors and predict the missing QoS values as the basis of cloud service selection and recommendation. The experimental results show that our approach is able to obtain optimal results via adjusting parameters and exhibits high effectiveness. The cloud services ranking by our model also have better QoS properties than other methods in the comparison experiments. PMID:26606388

On computing stress in polymer systems involving multi-body potentials from molecular dynamics simulation

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

Fu, Yao, E-mail: fu5@mailbox.sc.edu, E-mail: jhsong@cec.sc.edu; Song, Jeong-Hoon, E-mail: fu5@mailbox.sc.edu, E-mail: jhsong@cec.sc.edu

2014-08-07

Hardy stress definition has been restricted to pair potentials and embedded-atom method potentials due to the basic assumptions in the derivation of a symmetric microscopic stress tensor. Force decomposition required in the Hardy stress expression becomes obscure for multi-body potentials. In this work, we demonstrate the invariance of the Hardy stress expression for a polymer system modeled with multi-body interatomic potentials including up to four atoms interaction, by applying central force decomposition of the atomic force. The balance of momentum has been demonstrated to be valid theoretically and tested under various numerical simulation conditions. The validity of momentum conservation justifiesmore » the extension of Hardy stress expression to multi-body potential systems. Computed Hardy stress has been observed to converge to the virial stress of the system with increasing spatial averaging volume. This work provides a feasible and reliable linkage between the atomistic and continuum scales for multi-body potential systems.« less

GPU computing of compressible flow problems by a meshless method with space-filling curves

NASA Astrophysics Data System (ADS)

Ma, Z. H.; Wang, H.; Pu, S. H.

2014-04-01

A graphic processing unit (GPU) implementation of a meshless method for solving compressible flow problems is presented in this paper. Least-square fit is used to discretize the spatial derivatives of Euler equations and an upwind scheme is applied to estimate the flux terms. The compute unified device architecture (CUDA) C programming model is employed to efficiently and flexibly port the meshless solver from CPU to GPU. Considering the data locality of randomly distributed points, space-filling curves are adopted to re-number the points in order to improve the memory performance. Detailed evaluations are firstly carried out to assess the accuracy and conservation property of the underlying numerical method. Then the GPU accelerated flow solver is used to solve external steady flows over aerodynamic configurations. Representative results are validated through extensive comparisons with the experimental, finite volume or other available reference solutions. Performance analysis reveals that the running time cost of simulations is significantly reduced while impressive (more than an order of magnitude) speedups are achieved.

Implementing ADM1 for plant-wide benchmark simulations in Matlab/Simulink.

PubMed

Rosen, C; Vrecko, D; Gernaey, K V; Pons, M N; Jeppsson, U

2006-01-01

The IWA Anaerobic Digestion Model No.1 (ADM1) was presented in 2002 and is expected to represent the state-of-the-art model within this field in the future. Due to its complexity the implementation of the model is not a simple task and several computational aspects need to be considered, in particular if the ADM1 is to be included in dynamic simulations of plant-wide or even integrated systems. In this paper, the experiences gained from a Matlab/Simulink implementation of ADM1 into the extended COST/IWA Benchmark Simulation Model (BSM2) are presented. Aspects related to system stiffness, model interfacing with the ASM family, mass balances, acid-base equilibrium and algebraic solvers for pH and other troublesome state variables, numerical solvers and simulation time are discussed. The main conclusion is that if implemented properly, the ADM1 will also produce high-quality results in dynamic plant-wide simulations including noise, discrete sub-systems, etc. without imposing any major restrictions due to extensive computational efforts.

Theoretical models for duct acoustic propagation and radiation

NASA Technical Reports Server (NTRS)

Eversman, Walter

1991-01-01

The development of computational methods in acoustics has led to the introduction of analysis and design procedures which model the turbofan inlet as a coupled system, simultaneously modeling propagation and radiation in the presence of realistic internal and external flows. Such models are generally large, require substantial computer speed and capacity, and can be expected to be used in the final design stages, with the simpler models being used in the early design iterations. Emphasis is given to practical modeling methods that have been applied to the acoustical design problem in turbofan engines. The mathematical model is established and the simplest case of propagation in a duct with hard walls is solved to introduce concepts and terminologies. An extensive overview is given of methods for the calculation of attenuation in uniform ducts with uniform flow and with shear flow. Subsequent sections deal with numerical techniques which provide an integrated representation of duct propagation and near- and far-field radiation for realistic geometries and flight conditions.

Status and future of the 3D MAFIA group of codes

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

Ebeling, F.; Klatt, R.; Krawzcyk, F.

1988-12-01

The group of fully three dimensional computer codes for solving Maxwell's equations for a wide range of applications, MAFIA, is already well established. Extensive comparisons with measurements have demonstrated the accuracy of the computations. A large numer of components have been designed for accelerators, such as kicker magnets, non cyclindrical cavities, ferrite loaded cavities, vacuum chambers with slots and transitions, etc. The latest additions to the system include a new static solver that can calculate 3D magneto- and electrostatic fields, and a self consistent version of the 2D-BCI that solves the field equations and the equations of motion in parallel.more » Work on new eddy current modules has started, which will allow treatment of laminated and/or solid iron cores excited by low frequency currents. Based on our experience with the present releases 1 and 2, we have started a complete revision of the whole user interface and data structure, which will make the codes even more user-friendly and flexible.« less

Development of the simulation system {open_quotes}IMPACT{close_quotes} for analysis of nuclear power plant severe accidents

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

Naitoh, Masanori; Ujita, Hiroshi; Nagumo, Hiroichi

1997-07-01

The Nuclear Power Engineering Corporation (NUPEC) has initiated a long-term program to develop the simulation system {open_quotes}IMPACT{close_quotes} for analysis of hypothetical severe accidents in nuclear power plants. IMPACT employs advanced methods of physical modeling and numerical computation, and can simulate a wide spectrum of senarios ranging from normal operation to hypothetical, beyond-design-basis-accident events. Designed as a large-scale system of interconnected, hierarchical modules, IMPACT`s distinguishing features include mechanistic models based on first principles and high speed simulation on parallel processing computers. The present plan is a ten-year program starting from 1993, consisting of the initial one-year of preparatory work followed bymore » three technical phases: Phase-1 for development of a prototype system; Phase-2 for completion of the simulation system, incorporating new achievements from basic studies; and Phase-3 for refinement through extensive verification and validation against test results and available real plant data.« less

Modeling and simulation of axisymmetric stagnation flames

NASA Astrophysics Data System (ADS)

Sone, Kazuo

Laminar flame modeling is an important element in turbulent combustion research. The accuracy of a turbulent combustion model is highly dependent upon our understanding of laminar flames and their behavior in many situations. How much we understand combustion can only be measured by how well the model describes and predicts combustion phenomena. One of the most commonly used methane combustion models is GRI-Mech 3.0. However, how well the model describes the reacting flow phenomena is still uncertain even after many attempts to validate the model or quantify uncertainties. In the present study, the behavior of laminar flames under different aerodynamic and thermodynamic conditions is studied numerically in a stagnation-flow configuration. In order to make such a numerical study possible, the spectral element method is reformulated to accommodate the large density variations in methane reacting flows. In addition, a new axisymmetric basis function set for the spectral element method that satisfies the correct behavior near the axis is developed, and efficient integration techniques are developed to accurately model axisymmetric reacting flow within a reasonable amount of computational time. The numerical method is implemented using an object-oriented programming technique, and the resulting computer program is verified with several different verification methods. The present study then shows variances with the commonly used GRI-Mech 3.0 chemical kinetics model through a direct simulation of laboratory flames that allows direct comparison to experimental data. It is shown that the methane combustion model based on GRI-Mech 3.0 works well for methane-air mixtures near stoichiometry. However, GRI-Mech 3.0 leads to an overprediction of laminar flame speed for lean mixtures and an underprediction for rich mixtures. This result is slightly different from conclusion drawn in previous work, in which experimental data are compared with a one-dimensional numerical solutions. Detailed analysis reveals that flame speed is sensitive to even slight flame front curvature as well as its finite extension in the radial direction. Neither of these can be incorporated in one-dimensional flow modeli

A New Biogeochemical Computational Framework Integrated within the Community Land Model

NASA Astrophysics Data System (ADS)

Fang, Y.; Li, H.; Liu, C.; Huang, M.; Leung, L.

2012-12-01

Terrestrial biogeochemical processes, particularly carbon cycle dynamics, have been shown to significantly influence regional and global climate changes. Modeling terrestrial biogeochemical processes within the land component of Earth System Models such as the Community Land model (CLM), however, faces three major challenges: 1) extensive efforts in modifying modeling structures and rewriting computer programs to incorporate biogeochemical processes with increasing complexity, 2) expensive computational cost to solve the governing equations due to numerical stiffness inherited from large variations in the rates of biogeochemical processes, and 3) lack of an efficient framework to systematically evaluate various mathematical representations of biogeochemical processes. To address these challenges, we introduce a new computational framework to incorporate biogeochemical processes into CLM, which consists of a new biogeochemical module with a generic algorithm and reaction database. New and updated biogeochemical processes can be incorporated into CLM without significant code modification. To address the stiffness issue, algorithms and criteria will be developed to identify fast processes, which will be replaced with algebraic equations and decoupled from slow processes. This framework can serve as a generic and user-friendly platform to test out different mechanistic process representations and datasets and gain new insight on the behavior of the terrestrial ecosystems in response to climate change in a systematic way.

Stability and instability of thermocapillary convection in models of the float-zone crystal-growth process

NASA Technical Reports Server (NTRS)

Neitzel, G. P.

1993-01-01

This project was concerned with the determination of conditions of guaranteed stability and instability for thermocapillary convection in a model of the float-zone crystal-growth process. This model, referred to as the half-zone, was studied extensively, both experimentally and theoretically. Our own earlier research determined, using energy-stability theory, sufficient conditions for stability to axisymmetric disturbances. Nearly all results computed were for the case of a liquid with Prandtl Number Pr = 1. Attempts to compute cases for higher Prandtl numbers to allow comparison with the experimental results of other researchers were unsuccessful, but indicated that the condition guaranteeing stability against axisymmetric disturbances would be a value of the Marangoni number (Ma), significantly higher than that at which oscillatory convection was observed experimentally. Thus, additional results were needed to round out the stability picture for this model problem. The research performed under this grant consisted of the following: (1) computation of energy-stability limits for non-axisymmetric disturbances; (2) computation of linear-stability limits for axisymmetric and non-axisymmetric disturbances; (3) numerical simulation of the basic state for half- and full-zones with a deformable free surface; and (4) incorporation of radiation heat transfer into a model energy-stability problem. Each of these is summarized briefly below.

Computer program ETC improves computation of elastic transfer matrices of Legendre polynomials P/0/ and P/1/

NASA Technical Reports Server (NTRS)

Gibson, G.; Miller, M.

1967-01-01

Computer program ETC improves computation of elastic transfer matrices of Legendre polynomials P/0/ and P/1/. Rather than carrying out a double integration numerically, one of the integrations is accomplished analytically and the numerical integration need only be carried out over one variable.

EUROPLANET-RI modelling service for the planetary science community: European Modelling and Data Analysis Facility (EMDAF)

NASA Astrophysics Data System (ADS)

Khodachenko, Maxim; Miller, Steven; Stoeckler, Robert; Topf, Florian

2010-05-01

Computational modeling and observational data analysis are two major aspects of the modern scientific research. Both appear nowadays under extensive development and application. Many of the scientific goals of planetary space missions require robust models of planetary objects and environments as well as efficient data analysis algorithms, to predict conditions for mission planning and to interpret the experimental data. Europe has great strength in these areas, but it is insufficiently coordinated; individual groups, models, techniques and algorithms need to be coupled and integrated. Existing level of scientific cooperation and the technical capabilities for operative communication, allow considerable progress in the development of a distributed international Research Infrastructure (RI) which is based on the existing in Europe computational modelling and data analysis centers, providing the scientific community with dedicated services in the fields of their computational and data analysis expertise. These services will appear as a product of the collaborative communication and joint research efforts of the numerical and data analysis experts together with planetary scientists. The major goal of the EUROPLANET-RI / EMDAF is to make computational models and data analysis algorithms associated with particular national RIs and teams, as well as their outputs, more readily available to their potential user community and more tailored to scientific user requirements, without compromising front-line specialized research on model and data analysis algorithms development and software implementation. This objective will be met through four keys subdivisions/tasks of EMAF: 1) an Interactive Catalogue of Planetary Models; 2) a Distributed Planetary Modelling Laboratory; 3) a Distributed Data Analysis Laboratory, and 4) enabling Models and Routines for High Performance Computing Grids. Using the advantages of the coordinated operation and efficient communication between the involved computational modelling, research and data analysis expert teams and their related research infrastructures, EMDAF will provide a 1) flexible, 2) scientific user oriented, 3) continuously developing and fast upgrading computational and data analysis service to support and intensify the European planetary scientific research. At the beginning EMDAF will create a set of demonstrators and operational tests of this service in key areas of European planetary science. This work will aim at the following objectives: (a) Development and implementation of tools for distant interactive communication between the planetary scientists and computing experts (including related RIs); (b) Development of standard routine packages, and user-friendly interfaces for operation of the existing numerical codes and data analysis algorithms by the specialized planetary scientists; (c) Development of a prototype of numerical modelling services "on demand" for space missions and planetary researchers; (d) Development of a prototype of data analysis services "on demand" for space missions and planetary researchers; (e) Development of a prototype of coordinated interconnected simulations of planetary phenomena and objects (global multi-model simulators); (f) Providing the demonstrators of a coordinated use of high performance computing facilities (super-computer networks), done in cooperation with European HPC Grid DEISA.

Brain Structural Integrity and Intrinsic Functional Connectivity Forecast 6 Year Longitudinal Growth in Children's Numerical Abilities.

PubMed

Evans, Tanya M; Kochalka, John; Ngoon, Tricia J; Wu, Sarah S; Qin, Shaozheng; Battista, Christian; Menon, Vinod

2015-08-19

Early numerical proficiency lays the foundation for acquiring quantitative skills essential in today's technological society. Identification of cognitive and brain markers associated with long-term growth of children's basic numerical computation abilities is therefore of utmost importance. Previous attempts to relate brain structure and function to numerical competency have focused on behavioral measures from a single time point. Thus, little is known about the brain predictors of individual differences in growth trajectories of numerical abilities. Using a longitudinal design, with multimodal imaging and machine-learning algorithms, we investigated whether brain structure and intrinsic connectivity in early childhood are predictive of 6 year outcomes in numerical abilities spanning childhood and adolescence. Gray matter volume at age 8 in distributed brain regions, including the ventrotemporal occipital cortex (VTOC), the posterior parietal cortex, and the prefrontal cortex, predicted longitudinal gains in numerical, but not reading, abilities. Remarkably, intrinsic connectivity analysis revealed that the strength of functional coupling among these regions also predicted gains in numerical abilities, providing novel evidence for a network of brain regions that works in concert to promote numerical skill acquisition. VTOC connectivity with posterior parietal, anterior temporal, and dorsolateral prefrontal cortices emerged as the most extensive network predicting individual gains in numerical abilities. Crucially, behavioral measures of mathematics, IQ, working memory, and reading did not predict children's gains in numerical abilities. Our study identifies, for the first time, functional circuits in the human brain that scaffold the development of numerical skills, and highlights potential biomarkers for identifying children at risk for learning difficulties. Children show substantial individual differences in math abilities and ease of math learning. Early numerical abilities provide the foundation for future academic and professional success in an increasingly technological society. Understanding the early identification of poor math skills has therefore taken on great significance. This work provides important new insights into brain structure and connectivity measures that can predict longitudinal growth of children's math skills over a 6 year period, and may eventually aid in the early identification of children who might benefit from targeted interventions. Copyright © 2015 the authors 0270-6474/15/3511743-08$15.00/0.

High-resolution subject-specific mitral valve imaging and modeling: experimental and computational methods.

PubMed

Toma, Milan; Bloodworth, Charles H; Einstein, Daniel R; Pierce, Eric L; Cochran, Richard P; Yoganathan, Ajit P; Kunzelman, Karyn S

2016-12-01

The diversity of mitral valve (MV) geometries and multitude of surgical options for correction of MV diseases necessitates the use of computational modeling. Numerical simulations of the MV would allow surgeons and engineers to evaluate repairs, devices, procedures, and concepts before performing them and before moving on to more costly testing modalities. Constructing, tuning, and validating these models rely upon extensive in vitro characterization of valve structure, function, and response to change due to diseases. Micro-computed tomography ([Formula: see text]CT) allows for unmatched spatial resolution for soft tissue imaging. However, it is still technically challenging to obtain an accurate geometry of the diastolic MV. We discuss here the development of a novel technique for treating MV specimens with glutaraldehyde fixative in order to minimize geometric distortions in preparation for [Formula: see text]CT scanning. The technique provides a resulting MV geometry which is significantly more detailed in chordal structure, accurate in leaflet shape, and closer to its physiological diastolic geometry. In this paper, computational fluid-structure interaction (FSI) simulations are used to show the importance of more detailed subject-specific MV geometry with 3D chordal structure to simulate a proper closure validated against [Formula: see text]CT images of the closed valve. Two computational models, before and after use of the aforementioned technique, are used to simulate closure of the MV.

Efficiency analysis of numerical integrations for finite element substructure in real-time hybrid simulation

NASA Astrophysics Data System (ADS)

Wang, Jinting; Lu, Liqiao; Zhu, Fei

2018-01-01

Finite element (FE) is a powerful tool and has been applied by investigators to real-time hybrid simulations (RTHSs). This study focuses on the computational efficiency, including the computational time and accuracy, of numerical integrations in solving FE numerical substructure in RTHSs. First, sparse matrix storage schemes are adopted to decrease the computational time of FE numerical substructure. In this way, the task execution time (TET) decreases such that the scale of the numerical substructure model increases. Subsequently, several commonly used explicit numerical integration algorithms, including the central difference method (CDM), the Newmark explicit method, the Chang method and the Gui-λ method, are comprehensively compared to evaluate their computational time in solving FE numerical substructure. CDM is better than the other explicit integration algorithms when the damping matrix is diagonal, while the Gui-λ (λ = 4) method is advantageous when the damping matrix is non-diagonal. Finally, the effect of time delay on the computational accuracy of RTHSs is investigated by simulating structure-foundation systems. Simulation results show that the influences of time delay on the displacement response become obvious with the mass ratio increasing, and delay compensation methods may reduce the relative error of the displacement peak value to less than 5% even under the large time-step and large time delay.

Framework for adaptive multiscale analysis of nonhomogeneous point processes.

PubMed

Helgason, Hannes; Bartroff, Jay; Abry, Patrice

2011-01-01

We develop the methodology for hypothesis testing and model selection in nonhomogeneous Poisson processes, with an eye toward the application of modeling and variability detection in heart beat data. Modeling the process' non-constant rate function using templates of simple basis functions, we develop the generalized likelihood ratio statistic for a given template and a multiple testing scheme to model-select from a family of templates. A dynamic programming algorithm inspired by network flows is used to compute the maximum likelihood template in a multiscale manner. In a numerical example, the proposed procedure is nearly as powerful as the super-optimal procedures that know the true template size and true partition, respectively. Extensions to general history-dependent point processes is discussed.

A model for the distribution of dark matter, galaxies, and the intergalactic medium in a cold dark matter-dominated universe

NASA Technical Reports Server (NTRS)

Ryu, Dongsu; Vishniac, Ethan T.; Chiang, Wei-Hwan

1989-01-01

The spatial distribution of the cold-dark-matter (CDM) and baryonic components of CDM-dominated cosmological models are characterized, summarizing the results of recent theoretical investigations. The evolution and distribution of matter in an Einstein-de Sitter universe on length scales small enough so that the Newtonian approximation is valid is followed chronologically, assuming (1) that the galaxies, CDM, and the intergalactic medium (IGM) are coupled by gravity, (2) that galaxies form by taking mass and momentum from the IGM, and (3) that the IGM responds to the energy input from the galaxies. The results of the numerical computations are presented in extensive graphs and discussed in detail.

Linear elastic fracture mechanics primer

NASA Technical Reports Server (NTRS)

Wilson, Christopher D.

1992-01-01

This primer is intended to remove the blackbox perception of fracture mechanics computer software by structural engineers. The fundamental concepts of linear elastic fracture mechanics are presented with emphasis on the practical application of fracture mechanics to real problems. Numerous rules of thumb are provided. Recommended texts for additional reading, and a discussion of the significance of fracture mechanics in structural design are given. Griffith's criterion for crack extension, Irwin's elastic stress field near the crack tip, and the influence of small-scale plasticity are discussed. Common stress intensities factor solutions and methods for determining them are included. Fracture toughness and subcritical crack growth are discussed. The application of fracture mechanics to damage tolerance and fracture control is discussed. Several example problems and a practice set of problems are given.

Methods and Research for Multi-Component Cutting Force Sensing Devices and Approaches in Machining

PubMed Central

Liang, Qiaokang; Zhang, Dan; Wu, Wanneng; Zou, Kunlin

2016-01-01

Multi-component cutting force sensing systems in manufacturing processes applied to cutting tools are gradually becoming the most significant monitoring indicator. Their signals have been extensively applied to evaluate the machinability of workpiece materials, predict cutter breakage, estimate cutting tool wear, control machine tool chatter, determine stable machining parameters, and improve surface finish. Robust and effective sensing systems with capability of monitoring the cutting force in machine operations in real time are crucial for realizing the full potential of cutting capabilities of computer numerically controlled (CNC) tools. The main objective of this paper is to present a brief review of the existing achievements in the field of multi-component cutting force sensing systems in modern manufacturing. PMID:27854322

Population-based imaging biobanks as source of big data.

PubMed

Gatidis, Sergios; Heber, Sophia D; Storz, Corinna; Bamberg, Fabian

2017-06-01

Advances of computational sciences over the last decades have enabled the introduction of novel methodological approaches in biomedical research. Acquiring extensive and comprehensive data about a research subject and subsequently extracting significant information has opened new possibilities in gaining insight into biological and medical processes. This so-called big data approach has recently found entrance into medical imaging and numerous epidemiological studies have been implementing advanced imaging to identify imaging biomarkers that provide information about physiological processes, including normal development and aging but also on the development of pathological disease states. The purpose of this article is to present existing epidemiological imaging studies and to discuss opportunities, methodological and organizational aspects, and challenges that population imaging poses to the field of big data research.

Methods and Research for Multi-Component Cutting Force Sensing Devices and Approaches in Machining.

PubMed

Liang, Qiaokang; Zhang, Dan; Wu, Wanneng; Zou, Kunlin

2016-11-16

Multi-component cutting force sensing systems in manufacturing processes applied to cutting tools are gradually becoming the most significant monitoring indicator. Their signals have been extensively applied to evaluate the machinability of workpiece materials, predict cutter breakage, estimate cutting tool wear, control machine tool chatter, determine stable machining parameters, and improve surface finish. Robust and effective sensing systems with capability of monitoring the cutting force in machine operations in real time are crucial for realizing the full potential of cutting capabilities of computer numerically controlled (CNC) tools. The main objective of this paper is to present a brief review of the existing achievements in the field of multi-component cutting force sensing systems in modern manufacturing.

Average activity of excitatory and inhibitory neural populations

NASA Astrophysics Data System (ADS)

Roulet, Javier; Mindlin, Gabriel B.

2016-09-01

We develop an extension of the Ott-Antonsen method [E. Ott and T. M. Antonsen, Chaos 18(3), 037113 (2008)] that allows obtaining the mean activity (spiking rate) of a population of excitable units. By means of the Ott-Antonsen method, equations for the dynamics of the order parameters of coupled excitatory and inhibitory populations of excitable units are obtained, and their mean activities are computed. Two different excitable systems are studied: Adler units and theta neurons. The resulting bifurcation diagrams are compared with those obtained from studying the phenomenological Wilson-Cowan model in some regions of the parameter space. Compatible behaviors, as well as higher dimensional chaotic solutions, are observed. We study numerical simulations to further validate the equations.

CABS-flex 2.0: a web server for fast simulations of flexibility of protein structures.

PubMed

Kuriata, Aleksander; Gierut, Aleksandra Maria; Oleniecki, Tymoteusz; Ciemny, Maciej Pawel; Kolinski, Andrzej; Kurcinski, Mateusz; Kmiecik, Sebastian

2018-05-14

Classical simulations of protein flexibility remain computationally expensive, especially for large proteins. A few years ago, we developed a fast method for predicting protein structure fluctuations that uses a single protein model as the input. The method has been made available as the CABS-flex web server and applied in numerous studies of protein structure-function relationships. Here, we present a major update of the CABS-flex web server to version 2.0. The new features include: extension of the method to significantly larger and multimeric proteins, customizable distance restraints and simulation parameters, contact maps and a new, enhanced web server interface. CABS-flex 2.0 is freely available at http://biocomp.chem.uw.edu.pl/CABSflex2.

On the Misconception of Multicollinearity in Detection of Moderating Effects: Multicollinearity Is Not Always Detrimental.

PubMed

Shieh, Gwowen

2010-05-28

Due to its extensive applicability and computational ease, moderated multiple regression (MMR) has been widely employed to analyze interaction effects between 2 continuous predictor variables. Accordingly, considerable attention has been drawn toward the supposed multicollinearity problem between predictor variables and their cross-product term. This article attempts to clarify the misconception of multicollinearity in MMR studies. The counterintuitive yet beneficial effects of multicollinearity on the ability to detect moderator relationships are explored. Comprehensive treatments and numerical investigations are presented for the simplest interaction model and more complex three-predictor setting. The results provide critical insight that both helps avoid misleading interpretations and yields better understanding for the impact of intercorrelation among predictor variables in MMR analyses.

Development of an hp-version finite element method for computational optimal control

NASA Technical Reports Server (NTRS)

Hodges, Dewey H.; Warner, Michael S.

1993-01-01

The purpose of this research effort is to develop a means to use, and to ultimately implement, hp-version finite elements in the numerical solution of optimal control problems. The hybrid MACSYMA/FORTRAN code GENCODE was developed which utilized h-version finite elements to successfully approximate solutions to a wide class of optimal control problems. In that code the means for improvement of the solution was the refinement of the time-discretization mesh. With the extension to hp-version finite elements, the degrees of freedom include both nodal values and extra interior values associated with the unknown states, co-states, and controls, the number of which depends on the order of the shape functions in each element.

John Bell (1763-1820): brother artist and anatomist.

PubMed

Gardner-Thorpe, Christopher

2013-01-01

John Bell, brother-surgeon of Charles Bell, was, like Charles, an outstanding surgeon and a good artist. John was one of the few who illustrated his work with their own drawings in the days before audiovisual aids were available and without the benefit of reliable drawing aids, photography and computer-aided design. Charles, on the other hand, was the better artist and illustrated much of the normal anatomy of the nervous system. Each brother undertook extensive surgery of men who had been wounded in war; John Bell left us his engravings from the textbooks, more numerous perhaps than Charles, but Charles left us a series of oil paintings and watercolours in addition to the illustrations in his textbooks. © 2013 Elsevier B.V. All rights reserved.

Black Hole Formation in Randall-Sundrum II Braneworlds.

PubMed

Wang, Daoyan; Choptuik, Matthew W

2016-07-01

We present the first numerical study of the full dynamics of a braneworld scenario, working within the framework of the single brane model of Randall and Sundrum. In particular, we study the process of gravitational collapse driven by a massless scalar field which is confined to the brane. Imposing spherical symmetry on the brane, we show that the evolutions of sufficiently strong initial configurations of the scalar field result in black holes that have finite extension into the bulk. Furthermore, we find preliminary evidence that the black holes generated form a unique sequence, irrespective of the details of the initial data. The black hole solutions we obtain from dynamical evolutions are consistent with those previously computed from a static vacuum ansatz.

Microlocal approach towards construction of nonreflecting boundary conditions

NASA Astrophysics Data System (ADS)

Vaibhav, V.

2014-09-01

This paper addresses the problem of construction of non-reflecting boundary condition for certain second-order nonlinear dispersive equations. It is shown that using the concept of microlocality it is possible to relax the requirement of compact support of the initial data. The method is demonstrated for a class of initial data such that outside the computational domain it behaves like a continuous-wave. The generalization is detailed for two existing schemes in the framework of pseudo-differential calculus, namely, Szeftel's method (Szeftel (2006) [1]) and gauge transformation strategy (Antoine et al. (2006) [2]). Efficient numerical implementation is discussed and a comparative performance analysis is presented. The paper also briefly surveys the possibility of extension of the method to higher-dimensional PDEs.

The use of cross-section warping functions in composite rotor blade analysis

NASA Technical Reports Server (NTRS)

Kosmatka, J. B.

1992-01-01

During the contracted period, our research was concentrated into three areas. The first was the development of an accurate and a computationally efficient method for predicting the cross-section warping functions in an arbitrary cross-section composed of isotropic and/or anisotropic materials. The second area of research was the development of a general higher-order one-dimensional theory for anisotropic beams. The third area of research was the development of an analytical model for assessing the extension-bend-twist coupling behavior of nonhomogeneous anisotropic beams with initial twist. In the remaining six chapters of this report, the three different research areas and associated sub-research areas are covered independently including separate introductions, theoretical developments, numerical results, and references.

Average activity of excitatory and inhibitory neural populations

PubMed Central

Mindlin, Gabriel B.

2016-01-01

We develop an extension of the Ott-Antonsen method [E. Ott and T. M. Antonsen, Chaos 18(3), 037113 (2008)] that allows obtaining the mean activity (spiking rate) of a population of excitable units. By means of the Ott-Antonsen method, equations for the dynamics of the order parameters of coupled excitatory and inhibitory populations of excitable units are obtained, and their mean activities are computed. Two different excitable systems are studied: Adler units and theta neurons. The resulting bifurcation diagrams are compared with those obtained from studying the phenomenological Wilson-Cowan model in some regions of the parameter space. Compatible behaviors, as well as higher dimensional chaotic solutions, are observed. We study numerical simulations to further validate the equations. PMID:27781447

Micromagnetic computer simulations of spin waves in nanometre-scale patterned magnetic elements

NASA Astrophysics Data System (ADS)

Kim, Sang-Koog

2010-07-01

Current needs for further advances in the nanotechnologies of information-storage and -processing devices have attracted a great deal of interest in spin (magnetization) dynamics in nanometre-scale patterned magnetic elements. For instance, the unique dynamic characteristics of non-uniform magnetic microstructures such as various types of domain walls, magnetic vortices and antivortices, as well as spin wave dynamics in laterally restricted thin-film geometries, have been at the centre of extensive and intensive researches. Understanding the fundamentals of their unique spin structure as well as their robust and novel dynamic properties allows us to implement new functionalities into existing or future devices. Although experimental tools and theoretical approaches are effective means of understanding the fundamentals of spin dynamics and of gaining new insights into them, the limitations of those same tools and approaches have left gaps of unresolved questions in the pertinent physics. As an alternative, however, micromagnetic modelling and numerical simulation has recently emerged as a powerful tool for the study of a variety of phenomena related to spin dynamics of nanometre-scale magnetic elements. In this review paper, I summarize the recent results of simulations of the excitation and propagation and other novel wave characteristics of spin waves, highlighting how the micromagnetic computer simulation approach contributes to an understanding of spin dynamics of nanomagnetism and considering some of the merits of numerical simulation studies. Many examples of micromagnetic modelling for numerical calculations, employing various dimensions and shapes of patterned magnetic elements, are given. The current limitations of continuum micromagnetic modelling and of simulations based on the Landau-Lifshitz-Gilbert equation of motion of magnetization are also discussed, along with further research directions for spin-wave studies.

Numerical Simulation of Transit-Time Ultrasonic Flowmeters by a Direct Approach.

PubMed

Luca, Adrian; Marchiano, Regis; Chassaing, Jean-Camille

2016-06-01

This paper deals with the development of a computational code for the numerical simulation of wave propagation through domains with a complex geometry consisting in both solids and moving fluids. The emphasis is on the numerical simulation of ultrasonic flowmeters (UFMs) by modeling the wave propagation in solids with the equations of linear elasticity (ELE) and in fluids with the linearized Euler equations (LEEs). This approach requires high performance computing because of the high number of degrees of freedom and the long propagation distances. Therefore, the numerical method should be chosen with care. In order to minimize the numerical dissipation which may occur in this kind of configuration, the numerical method employed here is the nodal discontinuous Galerkin (DG) method. Also, this method is well suited for parallel computing. To speed up the code, almost all the computational stages have been implemented to run on graphical processing unit (GPU) by using the compute unified device architecture (CUDA) programming model from NVIDIA. This approach has been validated and then used for the two-dimensional simulation of gas UFMs. The large contrast of acoustic impedance characteristic to gas UFMs makes their simulation a real challenge.

Automating FEA programming

NASA Technical Reports Server (NTRS)

Sharma, Naveen

1992-01-01

In this paper we briefly describe a combined symbolic and numeric approach for solving mathematical models on parallel computers. An experimental software system, PIER, is being developed in Common Lisp to synthesize computationally intensive and domain formulation dependent phases of finite element analysis (FEA) solution methods. Quantities for domain formulation like shape functions, element stiffness matrices, etc., are automatically derived using symbolic mathematical computations. The problem specific information and derived formulae are then used to generate (parallel) numerical code for FEA solution steps. A constructive approach to specify a numerical program design is taken. The code generator compiles application oriented input specifications into (parallel) FORTRAN77 routines with the help of built-in knowledge of the particular problem, numerical solution methods and the target computer.

A 3D staggered-grid finite difference scheme for poroelastic wave equation

NASA Astrophysics Data System (ADS)

Zhang, Yijie; Gao, Jinghuai

2014-10-01

Three dimensional numerical modeling has been a viable tool for understanding wave propagation in real media. The poroelastic media can better describe the phenomena of hydrocarbon reservoirs than acoustic and elastic media. However, the numerical modeling in 3D poroelastic media demands significantly more computational capacity, including both computational time and memory. In this paper, we present a 3D poroelastic staggered-grid finite difference (SFD) scheme. During the procedure, parallel computing is implemented to reduce the computational time. Parallelization is based on domain decomposition, and communication between processors is performed using message passing interface (MPI). Parallel analysis shows that the parallelized SFD scheme significantly improves the simulation efficiency and 3D decomposition in domain is the most efficient. We also analyze the numerical dispersion and stability condition of the 3D poroelastic SFD method. Numerical results show that the 3D numerical simulation can provide a real description of wave propagation.

Unsteady Flow Interactions Between the LH2 Feed Line and SSME LPFP Inducer

NASA Technical Reports Server (NTRS)

Dorney, Dan; Griffin, Lisa; Marcu, Bogdan; Williams, Morgan

2006-01-01

An extensive computational effort has been performed in order to investigate the nature of unsteady flow in the fuel line supplying the three Space Shuttle Main Engines during flight. Evidence of high cycle fatigue (HCF) in the flow liner one diameter upstream of the Low Pressure Fuel Pump inducer has been observed in several locations. The analysis presented in this report has the objective of determining the driving mechanisms inducing HCF and the associated fluid flow phenomena. The simulations have been performed using two different computational codes, the NASA MSFC PHANTOM code and the Pratt and Whitney Rocketdyne ENIGMA code. The fuel flow through the flow liner and the pump inducer have been modeled in full three-dimensional geometry, and the results of the computations compared with test data taken during hot fire tests at NASA Stennis Space Center, and cold-flow water flow test data obtained at NASA MSFC. The numerical results indicate that unsteady pressure fluctuations at specific frequencies develop in the duct at the flow-liner location. Detailed frequency analysis of the flow disturbances is presented. The unsteadiness is believed to be an important source for fluctuating pressures generating high cycle fatigue.

A 3D-CFD code for accurate prediction of fluid flows and fluid forces in seals

NASA Technical Reports Server (NTRS)

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

1994-01-01

Current and future turbomachinery requires advanced seal configurations to control leakage, inhibit mixing of incompatible fluids and to control the rotodynamic response. In recognition of a deficiency in the existing predictive methodology for seals, a seven year effort was established in 1990 by NASA's Office of Aeronautics Exploration and Technology, under the Earth-to-Orbit Propulsion program, to develop validated Computational Fluid Dynamics (CFD) concepts, codes and analyses for seals. The effort will provide NASA and the U.S. Aerospace Industry with advanced CFD scientific codes and industrial codes for analyzing and designing turbomachinery seals. An advanced 3D CFD cylindrical seal code has been developed, incorporating state-of-the-art computational methodology for flow analysis in straight, tapered and stepped seals. Relevant computational features of the code include: stationary/rotating coordinates, cylindrical and general Body Fitted Coordinates (BFC) systems, high order differencing schemes, colocated variable arrangement, advanced turbulence models, incompressible/compressible flows, and moving grids. This paper presents the current status of code development, code demonstration for predicting rotordynamic coefficients, numerical parametric study of entrance loss coefficients for generic annular seals, and plans for code extensions to labyrinth, damping, and other seal configurations.

An effective absorbing layer for the boundary condition in acoustic seismic wave simulation

NASA Astrophysics Data System (ADS)

Yao, Gang; da Silva, Nuno V.; Wu, Di

2018-04-01

Efficient numerical simulation of seismic wavefields generally involves truncating the Earth model in order to keep computing time and memory requirements down. Absorbing boundary conditions, therefore, are applied to remove the boundary reflections caused by this truncation, thereby allowing for accurate modeling of wavefields. In this paper, we derive an effective absorbing boundary condition for both acoustic and elastic wave simulation, through the simplification of the damping term of the split perfectly matched layer (SPML) boundary condition. This new boundary condition is accurate, cost-effective, and easily implemented, especially for high-performance computing. Stability analysis shows that this boundary condition is effectively as stable as normal (non-absorbing) wave equations for explicit time-stepping finite differences. We found that for full-waveform inversion (FWI), the strengths of the effective absorbing layer—a reduction of the computational and memory cost coupled with a simplistic implementation—significantly outweighs the limitation of incomplete absorption of outgoing waves relative to the SPML. More importantly, we demonstrate that this limitation can easily be overcome through the use of two strategies in FWI, namely variable cell size and model extension thereby fully compensating for the imperfectness of the proposed absorbing boundary condition.

BlazeDEM3D-GPU A Large Scale DEM simulation code for GPUs

NASA Astrophysics Data System (ADS)

Govender, Nicolin; Wilke, Daniel; Pizette, Patrick; Khinast, Johannes

2017-06-01

Accurately predicting the dynamics of particulate materials is of importance to numerous scientific and industrial areas with applications ranging across particle scales from powder flow to ore crushing. Computational discrete element simulations is a viable option to aid in the understanding of particulate dynamics and design of devices such as mixers, silos and ball mills, as laboratory scale tests comes at a significant cost. However, the computational time required to simulate an industrial scale simulation which consists of tens of millions of particles can take months to complete on large CPU clusters, making the Discrete Element Method (DEM) unfeasible for industrial applications. Simulations are therefore typically restricted to tens of thousands of particles with highly detailed particle shapes or a few million of particles with often oversimplified particle shapes. However, a number of applications require accurate representation of the particle shape to capture the macroscopic behaviour of the particulate system. In this paper we give an overview of the recent extensions to the open source GPU based DEM code, BlazeDEM3D-GPU, that can simulate millions of polyhedra and tens of millions of spheres on a desktop computer with a single or multiple GPUs.

Rank-k modification methods for recursive least squares problems

NASA Astrophysics Data System (ADS)

Olszanskyj, Serge; Lebak, James; Bojanczyk, Adam

1994-09-01

In least squares problems, it is often desired to solve the same problem repeatedly but with several rows of the data either added, deleted, or both. Methods for quickly solving a problem after adding or deleting one row of data at a time are known. In this paper we introduce fundamental rank-k updating and downdating methods and show how extensions of rank-1 downdating methods based on LINPACK, Corrected Semi-Normal Equations (CSNE), and Gram-Schmidt factorizations, as well as new rank-k downdating methods, can all be derived from these fundamental results. We then analyze the cost of each new algorithm and make comparisons tok applications of the corresponding rank-1 algorithms. We provide experimental results comparing the numerical accuracy of the various algorithms, paying particular attention to the downdating methods, due to their potential numerical difficulties for ill-conditioned problems. We then discuss the computation involved for each downdating method, measured in terms of operation counts and BLAS calls. Finally, we provide serial execution timing results for these algorithms, noting preferable points for improvement and optimization. From our experiments we conclude that the Gram-Schmidt methods perform best in terms of numerical accuracy, but may be too costly for serial execution for large problems.

Estimating statistical isotropy violation in CMB due to non-circular beam and complex scan in minutes

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

Pant, Nidhi; Das, Santanu; Mitra, Sanjit

Mild, unavoidable deviations from circular-symmetry of instrumental beams along with scan strategy can give rise to measurable Statistical Isotropy (SI) violation in Cosmic Microwave Background (CMB) experiments. If not accounted properly, this spurious signal can complicate the extraction of other SI violation signals (if any) in the data. However, estimation of this effect through exact numerical simulation is computationally intensive and time consuming. A generalized analytical formalism not only provides a quick way of estimating this signal, but also gives a detailed understanding connecting the leading beam anisotropy components to a measurable BipoSH characterisation of SI violation. In this paper,more » we provide an approximate generic analytical method for estimating the SI violation generated due to a non-circular (NC) beam and arbitrary scan strategy, in terms of the Bipolar Spherical Harmonic (BipoSH) spectra. Our analytical method can predict almost all the features introduced by a NC beam in a complex scan and thus reduces the need for extensive numerical simulation worth tens of thousands of CPU hours into minutes long calculations. As an illustrative example, we use WMAP beams and scanning strategy to demonstrate the easability, usability and efficiency of our method. We test all our analytical results against that from exact numerical simulations.« less

Application of Jacobian-free Newton–Krylov method in implicitly solving two-fluid six-equation two-phase flow problems: Implementation, validation and benchmark

DOE PAGES

Zou, Ling; Zhao, Haihua; Zhang, Hongbin

2016-03-09

This work represents a first-of-its-kind successful application to employ advanced numerical methods in solving realistic two-phase flow problems with two-fluid six-equation two-phase flow model. These advanced numerical methods include high-resolution spatial discretization scheme with staggered grids (high-order) fully implicit time integration schemes, and Jacobian-free Newton–Krylov (JFNK) method as the nonlinear solver. The computer code developed in this work has been extensively validated with existing experimental flow boiling data in vertical pipes and rod bundles, which cover wide ranges of experimental conditions, such as pressure, inlet mass flux, wall heat flux and exit void fraction. Additional code-to-code benchmark with the RELAP5-3Dmore » code further verifies the correct code implementation. The combined methods employed in this work exhibit strong robustness in solving two-phase flow problems even when phase appearance (boiling) and realistic discrete flow regimes are considered. Transitional flow regimes used in existing system analysis codes, normally introduced to overcome numerical difficulty, were completely removed in this work. As a result, this in turn provides the possibility to utilize more sophisticated flow regime maps in the future to further improve simulation accuracy.« less

An extended diffraction tomography method for quantifying structural damage using numerical Green's functions.

PubMed

Chan, Eugene; Rose, L R Francis; Wang, Chun H

2015-05-01

Existing damage imaging algorithms for detecting and quantifying structural defects, particularly those based on diffraction tomography, assume far-field conditions for the scattered field data. This paper presents a major extension of diffraction tomography that can overcome this limitation and utilises a near-field multi-static data matrix as the input data. This new algorithm, which employs numerical solutions of the dynamic Green's functions, makes it possible to quantitatively image laminar damage even in complex structures for which the dynamic Green's functions are not available analytically. To validate this new method, the numerical Green's functions and the multi-static data matrix for laminar damage in flat and stiffened isotropic plates are first determined using finite element models. Next, these results are time-gated to remove boundary reflections, followed by discrete Fourier transform to obtain the amplitude and phase information for both the baseline (damage-free) and the scattered wave fields. Using these computationally generated results and experimental verification, it is shown that the new imaging algorithm is capable of accurately determining the damage geometry, size and severity for a variety of damage sizes and shapes, including multi-site damage. Some aspects of minimal sensors requirement pertinent to image quality and practical implementation are also briefly discussed. Copyright © 2015 Elsevier B.V. All rights reserved.

New convergence results for the scaled gradient projection method

NASA Astrophysics Data System (ADS)

Bonettini, S.; Prato, M.

2015-09-01

The aim of this paper is to deepen the convergence analysis of the scaled gradient projection (SGP) method, proposed by Bonettini et al in a recent paper for constrained smooth optimization. The main feature of SGP is the presence of a variable scaling matrix multiplying the gradient, which may change at each iteration. In the last few years, extensive numerical experimentation showed that SGP equipped with a suitable choice of the scaling matrix is a very effective tool for solving large scale variational problems arising in image and signal processing. In spite of the very reliable numerical results observed, only a weak convergence theorem is provided establishing that any limit point of the sequence generated by SGP is stationary. Here, under the only assumption that the objective function is convex and that a solution exists, we prove that the sequence generated by SGP converges to a minimum point, if the scaling matrices sequence satisfies a simple and implementable condition. Moreover, assuming that the gradient of the objective function is Lipschitz continuous, we are also able to prove the {O}(1/k) convergence rate with respect to the objective function values. Finally, we present the results of a numerical experience on some relevant image restoration problems, showing that the proposed scaling matrix selection rule performs well also from the computational point of view.

Dynamic earthquake rupture simulation on nonplanar faults embedded in 3D geometrically complex, heterogeneous Earth models

NASA Astrophysics Data System (ADS)

Duru, K.; Dunham, E. M.; Bydlon, S. A.; Radhakrishnan, H.

2014-12-01

Dynamic propagation of shear ruptures on a frictional interface is a useful idealization of a natural earthquake.The conditions relating slip rate and fault shear strength 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, far away from fault zones, to seismic stations and remote areas.Therefore, reliable and efficient numerical simulations require both provably stable and high order accurate numerical methods.We present a numerical 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 rough faults; 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 finite differences in space. The finite difference stencils are 6th order accurate in the interior and 3rd order accurate close to the boundaries. 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. Time stepping is performed with a 4th order accurate explicit low storage Runge-Kutta scheme. We have performed extensive numerical experiments using a slip-weakening friction law on non-planar faults, including recent SCEC benchmark problems. We also show simulations on fractal faults revealing the complexity of rupture dynamics on rough faults. We are presently extending our method to rate-and-state friction laws and off-fault plasticity.

Defining and Developing Curricula in the Context of Cooperative Extension

ERIC Educational Resources Information Center

Smith, Martin H.; Worker, Steven M.; Meehan, Cheryl L.; Schmitt-McQuitty, Lynn; Ambrose, Andrea; Brian, Kelley; Schoenfelder, Emily

2017-01-01

Effective curricula are considered to be the cornerstone of successful programming in Extension. However, there is no universal operationalized definition of the term "curriculum" as it applies to Extension. Additionally, the development of curricula requires a systematic process that takes into account numerous factors. We provide an…

Thermomechanical modeling of the Colorado Plateau-Basin and range transition zone

NASA Technical Reports Server (NTRS)

Londe, M. D.

1985-01-01

The Colorado Plateau (CP) basin and range (B & R) boundary is marked by a transition zone on the order of 75 to 150 km in width. As one moves westward across this transition from the CP interior to the B & R there is a variation in the surface topography, surface heat flow, Bouguer gravity, seismicity, and crustal structure. This transition extends eastward into the western CP from the Wastach-Hurricane fault line and is largely coincident with the high plateaus of Utah and the Wasatch Mountains. It has been suggested that this transition zone marks a thermal and tectonic encroachment of the CP by the B & R. A simple two dimensional numerical model of the thermal regime for the transition zone was constructed to test the hypothesis that the observed geophysical signatures across the transition are due to lateral heat conduction from steady state uniform extension within the B & R lithosphere. Surface heat flow, uplift due to flexure from thermal buoyant loading, and regional Bouguer gravity are computed for various extension rates, crustal structures, and compensation depths.

Probing the extensive nature of entropy

NASA Astrophysics Data System (ADS)

Salagaram, T.; Chetty, N.

2013-08-01

We have devised a general numerical scheme applied to a system of independent, distinguishable, non-interacting particles, to demonstrate in a direct manner the extensive nature of statistical entropy. Working within the microcanonical ensemble, our methods enable one to directly monitor the approach to the thermodynamic limit (N → ∞) in a manner that has not been known before. We show that (sN - s∞) → N-α where sN is the entropy per particle for N particles and S∞ is the entropy per particle in the thermodynamic limit. We demonstrate universal behaviour by considering a number of different systems each defined by its unique single-particle spectrum. Various thermodynamic quantities as a function of N may be computed using our methods; in this paper, we focus on the entropy, the chemical potential and the temperature. Our results are applicable to systems of finite size, e.g. nano-particle systems. Furthermore, we demonstrate a new phenomenon, referred to as entropic interference, which manifests as a cancellation of terms in the thermodynamic limit and which results in the additive nature of entropy.

A comparison between progressive extension method (PEM) and iterative method (IM) for magnetic field extrapolations in the solar atmosphere

NASA Technical Reports Server (NTRS)

Wu, S. T.; Sun, M. T.; Sakurai, Takashi

1990-01-01

This paper presents a comparison between two numerical methods for the extrapolation of nonlinear force-free magnetic fields, viz the Iterative Method (IM) and the Progressive Extension Method (PEM). The advantages and disadvantages of these two methods are summarized, and the accuracy and numerical instability are discussed. On the basis of this investigation, it is claimed that the two methods do resemble each other qualitatively.

Pulse cleaning flow models and numerical computation of candle ceramic filters.

PubMed

Tian, Gui-shan; Ma, Zhen-ji; Zhang, Xin-yi; Xu, Ting-xiang

2002-04-01

Analytical and numerical computed models are developed for reverse pulse cleaning system of candle ceramic filters. A standard turbulent model is demonstrated suitably to the designing computation of reverse pulse cleaning system from the experimental and one-dimensional computational result. The computed results can be used to guide the designing of reverse pulse cleaning system, which is optimum Venturi geometry. From the computed results, the general conclusions and the designing methods are obtained.

The Oceanographic Multipurpose Software Environment (OMUSE v1.0)

NASA Astrophysics Data System (ADS)

Pelupessy, Inti; van Werkhoven, Ben; van Elteren, Arjen; Viebahn, Jan; Candy, Adam; Portegies Zwart, Simon; Dijkstra, Henk

2017-08-01

In this paper we present the Oceanographic Multipurpose Software Environment (OMUSE). OMUSE aims to provide a homogeneous environment for existing or newly developed numerical ocean simulation codes, simplifying their use and deployment. In this way, numerical experiments that combine ocean models representing different physics or spanning different ranges of physical scales can be easily designed. Rapid development of simulation models is made possible through the creation of simple high-level scripts. The low-level core of the abstraction in OMUSE is designed to deploy these simulations efficiently on heterogeneous high-performance computing resources. Cross-verification of simulation models with different codes and numerical methods is facilitated by the unified interface that OMUSE provides. Reproducibility in numerical experiments is fostered by allowing complex numerical experiments to be expressed in portable scripts that conform to a common OMUSE interface. Here, we present the design of OMUSE as well as the modules and model components currently included, which range from a simple conceptual quasi-geostrophic solver to the global circulation model POP (Parallel Ocean Program). The uniform access to the codes' simulation state and the extensive automation of data transfer and conversion operations aids the implementation of model couplings. We discuss the types of couplings that can be implemented using OMUSE. We also present example applications that demonstrate the straightforward model initialization and the concurrent use of data analysis tools on a running model. We give examples of multiscale and multiphysics simulations by embedding a regional ocean model into a global ocean model and by coupling a surface wave propagation model with a coastal circulation model.

Quantification of effect of sequential posteromedial release on flexion and extension gaps: a computer-assisted study in cadaveric knees.

PubMed

Mullaji, Arun; Sharma, Amit; Marawar, Satyajit; Kanna, Raj

2009-08-01

A novel sequence of posteromedial release consistent with surgical technique of total knee arthroplasty was performed in 15 cadaveric knees. Medial and lateral flexion and extension gaps were measured after each step of the release using a computed tomography-free computer navigation system. A spring-loaded distractor and a manual distractor were used to distract the joint. Posterior cruciate ligament release increased flexion more than extension gap; deep medial collateral ligament release had a negligible effect; semimembranosus release increased the flexion gap medially; reduction osteotomy increased medial flexion and extension gaps; superficial medial collateral ligament release increased medial joint gap more in flexion and caused severe instability. This sequence of release led to incremental and differential effects on flexion-extension gaps and has implications in correcting varus deformity.

Numerical investigation of deep-crust behavior under lithospheric extension

NASA Astrophysics Data System (ADS)

Korchinski, Megan; Rey, Patrice F.; Mondy, Luke; Teyssier, Christian; Whitney, Donna L.

2018-02-01

What are the conditions under which lithospheric extension drives exhumation of the deep orogenic crust during the formation of gneiss domes? The mechanical link between extension of shallow crust and flow of deep crust is investigated using two-dimensional numerical experiments of lithospheric extension in which the crust is 60 km thick and the deep-crust viscosity and density parameter space is explored. Results indicate that the style of extension of the shallow crust and the path, magnitude, and rate of flow of deep crust are dynamically linked through the deep-crust viscosity, with density playing an important role in experiments with a high-viscosity deep crust. Three main groups of domes are defined based on their mechanisms of exhumation across the viscosity-density parameter space. In the first group (low-viscosity, low-density deep crust), domes develop by lateral and upward flow of the deep crust at km m.y-1 velocity rates (i.e. rate of experiment boundary extension). In this case, extension in the shallow crust is localized on a single interface, and the deep crust traverses the entire thickness of the crust to the Earth's near-surface in 5 m.y. This high exhuming power relies on the dynamic feedback between the flow of deep crust and the localization of extension in the shallow crust. The second group (intermediate-viscosity, low-density deep crust) has less exhuming power because the stronger deep crust flows less readily and instead accommodates more uniform extension, which imparts distributed extension to the shallow crust. The third group represents the upper limits of viscosity and density for the deep crust; in this case the low buoyancy of the deep crust results in localized thinning of the crust with large upward motion of the Moho and lithosphere-asthenosphere boundary. These numerical experiments test the exhuming power of the deep crust in the formation of extensional gneiss domes.

Algorithms for computing the geopotential using a simple density layer

NASA Technical Reports Server (NTRS)

Morrison, F.

1976-01-01

Several algorithms have been developed for computing the potential and attraction of a simple density layer. These are numerical cubature, Taylor series, and a mixed analytic and numerical integration using a singularity-matching technique. A computer program has been written to combine these techniques for computing the disturbing acceleration on an artificial earth satellite. A total of 1640 equal-area, constant surface density blocks on an oblate spheroid are used. The singularity-matching algorithm is used in the subsatellite region, Taylor series in the surrounding zone, and numerical cubature on the rest of the earth.

A Fast Algorithm for the Convolution of Functions with Compact Support Using Fourier Extensions

DOE PAGES

Xu, Kuan; Austin, Anthony P.; Wei, Ke

2017-12-21

In this paper, we present a new algorithm for computing the convolution of two compactly supported functions. The algorithm approximates the functions to be convolved using Fourier extensions and then uses the fast Fourier transform to efficiently compute Fourier extension approximations to the pieces of the result. Finally, the complexity of the algorithm is O(N(log N) 2), where N is the number of degrees of freedom used in each of the Fourier extensions.

A Fast Algorithm for the Convolution of Functions with Compact Support Using Fourier Extensions

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

Xu, Kuan; Austin, Anthony P.; Wei, Ke

In this paper, we present a new algorithm for computing the convolution of two compactly supported functions. The algorithm approximates the functions to be convolved using Fourier extensions and then uses the fast Fourier transform to efficiently compute Fourier extension approximations to the pieces of the result. Finally, the complexity of the algorithm is O(N(log N) 2), where N is the number of degrees of freedom used in each of the Fourier extensions.

Nonlinear dynamics and numerical uncertainties in CFD

NASA Technical Reports Server (NTRS)

Yee, H. C.; Sweby, P. K.

1996-01-01

The application of nonlinear dynamics to improve the understanding of numerical uncertainties in computational fluid dynamics (CFD) is reviewed. Elementary examples in the use of dynamics to explain the nonlinear phenomena and spurious behavior that occur in numerics are given. The role of dynamics in the understanding of long time behavior of numerical integrations and the nonlinear stability, convergence, and reliability of using time-marching, approaches for obtaining steady-state numerical solutions in CFD is explained. The study is complemented with spurious behavior observed in CFD computations.

Symbolic-numeric interface: A review

NASA Technical Reports Server (NTRS)

Ng, E. W.

1980-01-01

A survey of the use of a combination of symbolic and numerical calculations is presented. Symbolic calculations primarily refer to the computer processing of procedures from classical algebra, analysis, and calculus. Numerical calculations refer to both numerical mathematics research and scientific computation. This survey is intended to point out a large number of problem areas where a cooperation of symbolic and numerical methods is likely to bear many fruits. These areas include such classical operations as differentiation and integration, such diverse activities as function approximations and qualitative analysis, and such contemporary topics as finite element calculations and computation complexity. It is contended that other less obvious topics such as the fast Fourier transform, linear algebra, nonlinear analysis and error analysis would also benefit from a synergistic approach.

Code Validation Studies of High-Enthalpy Flows

DTIC Science & Technology

2006-12-01

stage of future hypersonic vehicles. The development and design of such vehicles is aided by the use of experimentation and numerical simulation... numerical predictions and experimental measurements. 3. Summary of Previous Work We have studied extensively hypersonic double-cone flows with and in...the experimental measurements and the numerical predictions. When we accounted for that effect in numerical simulations, and also augmented the

Large-Scale and Global Hydrology. Chapter 92

NASA Technical Reports Server (NTRS)

Rodell, Matthew; Beaudoing, Hiroko Kato; Koster, Randal; Peters-Lidard, Christa D.; Famiglietti, James S.; Lakshmi, Venkat

2016-01-01

Powered by the sun, water moves continuously between and through Earths oceanic, atmospheric, and terrestrial reservoirs. It enables life, shapes Earths surface, and responds to and influences climate change. Scientists measure various features of the water cycle using a combination of ground, airborne, and space-based observations, and seek to characterize it at multiple scales with the aid of numerical models. Over time our understanding of the water cycle and ability to quantify it have improved, owing to advances in observational capabilities, the extension of the data record, and increases in computing power and storage. Here we present some of the most recent estimates of global and continental ocean basin scale water cycle stocks and fluxes and provide examples of modern numerical modeling systems and reanalyses.Further, we discuss prospects for predicting water cycle variability at seasonal and longer scales, which is complicated by a changing climate and direct human impacts related to water management and agriculture. Changes to the water cycle will be among the most obvious and important facets of climate change, thus it is crucial that we continue to invest in our ability to monitor it.

Detection of Splice Sites Using Support Vector Machine

NASA Astrophysics Data System (ADS)

Varadwaj, Pritish; Purohit, Neetesh; Arora, Bhumika

Automatic identification and annotation of exon and intron region of gene, from DNA sequences has been an important research area in field of computational biology. Several approaches viz. Hidden Markov Model (HMM), Artificial Intelligence (AI) based machine learning and Digital Signal Processing (DSP) techniques have extensively and independently been used by various researchers to cater this challenging task. In this work, we propose a Support Vector Machine based kernel learning approach for detection of splice sites (the exon-intron boundary) in a gene. Electron-Ion Interaction Potential (EIIP) values of nucleotides have been used for mapping character sequences to corresponding numeric sequences. Radial Basis Function (RBF) SVM kernel is trained using EIIP numeric sequences. Furthermore this was tested on test gene dataset for detection of splice site by window (of 12 residues) shifting. Optimum values of window size, various important parameters of SVM kernel have been optimized for a better accuracy. Receiver Operating Characteristic (ROC) curves have been utilized for displaying the sensitivity rate of the classifier and results showed 94.82% accuracy for splice site detection on test dataset.

Thermofluid Analysis of Magnetocaloric Refrigeration

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

Abdelaziz, Omar; Gluesenkamp, Kyle R; Vineyard, Edward Allan

While there have been extensive studies on thermofluid characteristics of different magnetocaloric refrigeration systems, a conclusive optimization study using non-dimensional parameters which can be applied to a generic system has not been reported yet. In this study, a numerical model has been developed for optimization of active magnetic refrigerator (AMR). This model is computationally efficient and robust, making it appropriate for running the thousands of simulations required for parametric study and optimization. The governing equations have been non-dimensionalized and numerically solved using finite difference method. A parametric study on a wide range of non-dimensional numbers has been performed. While themore » goal of AMR systems is to improve the performance of competitive parameters including COP, cooling capacity and temperature span, new parameters called AMR performance index-1 have been introduced in order to perform multi objective optimization and simultaneously exploit all these parameters. The multi-objective optimization is carried out for a wide range of the non-dimensional parameters. The results of this study will provide general guidelines for designing high performance AMR systems.« less

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

Pebay, Philippe; Terriberry, Timothy B.; Kolla, Hemanth

Formulas for incremental or parallel computation of second order central moments have long been known, and recent extensions of these formulas to univariate and multivariate moments of arbitrary order have been developed. Formulas such as these, are of key importance in scenarios where incremental results are required and in parallel and distributed systems where communication costs are high. We survey these recent results, and improve them with arbitrary-order, numerically stable one-pass formulas which we further extend with weighted and compound variants. We also develop a generalized correction factor for standard two-pass algorithms that enables the maintenance of accuracy over nearlymore » the full representable range of the input, avoiding the need for extended-precision arithmetic. We then empirically examine algorithm correctness for pairwise update formulas up to order four as well as condition number and relative error bounds for eight different central moment formulas, each up to degree six, to address the trade-offs between numerical accuracy and speed of the various algorithms. Finally, we demonstrate the use of the most elaborate among the above mentioned formulas, with the utilization of the compound moments for a practical large-scale scientific application.« less

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

Pebay, Philippe; Terriberry, Timothy B.; Kolla, Hemanth

Formulas for incremental or parallel computation of second order central moments have long been known, and recent extensions of these formulas to univariate and multivariate moments of arbitrary order have been developed. Such formulas are of key importance in scenarios where incremental results are required and in parallel and distributed systems where communication costs are high. We survey these recent results, and improve them with arbitrary-order, numerically stable one-pass formulas which we further extend with weighted and compound variants. We also develop a generalized correction factor for standard two-pass algorithms that enables the maintenance of accuracy over nearly the fullmore » representable range of the input, avoiding the need for extended-precision arithmetic. We then empirically examine algorithm correctness for pairwise update formulas up to order four as well as condition number and relative error bounds for eight different central moment formulas, each up to degree six, to address the trade-offs between numerical accuracy and speed of the various algorithms. Finally, we demonstrate the use of the most elaborate among the above mentioned formulas, with the utilization of the compound moments for a practical large-scale scientific application.« less

A novel 2.5D finite difference scheme for simulations of resistivity logging in anisotropic media

NASA Astrophysics Data System (ADS)

Zeng, Shubin; Chen, Fangzhou; Li, Dawei; Chen, Ji; Chen, Jiefu

2018-03-01

The objective of this study is to develop a method to model 3D resistivity well logging problems in 2D formation with anisotropy, known as 2.5D modeling. The traditional 1D forward modeling extensively used in practice lacks the capability of modeling 2D formation. A 2.5D finite difference method (FDM) solving all the electric and magnetic field components simultaneously is proposed. Compared to other previous 2.5D FDM schemes, this method is more straightforward in modeling fully anisotropic media and easy to be implemented. Fourier transform is essential to this FDM scheme, and by employing Gauss-Legendre (GL) quadrature rule the computational time of this step can be greatly reduced. In the numerical examples, we first demonstrate the validity of the FDM scheme with GL rule by comparing with 1D forward modeling for layered anisotropic problems, and then we model a complicated 2D formation case and find that the proposed 2.5D FD scheme is much more efficient than 3D numerical methods.

Cloud Modeling

NASA Technical Reports Server (NTRS)

Tao, Wei-Kuo; Moncrieff, Mitchell; Einaud, Franco (Technical Monitor)

2001-01-01

Numerical cloud models have been developed and applied extensively to study cloud-scale and mesoscale processes during the past four decades. The distinctive aspect of these cloud models is their ability to treat explicitly (or resolve) cloud-scale dynamics. This requires the cloud models to be formulated from the non-hydrostatic equations of motion that explicitly include the vertical acceleration terms since the vertical and horizontal scales of convection are similar. Such models are also necessary in order to allow gravity waves, such as those triggered by clouds, to be resolved explicitly. In contrast, the hydrostatic approximation, usually applied in global or regional models, does allow the presence of gravity waves. In addition, the availability of exponentially increasing computer capabilities has resulted in time integrations increasing from hours to days, domain grids boxes (points) increasing from less than 2000 to more than 2,500,000 grid points with 500 to 1000 m resolution, and 3-D models becoming increasingly prevalent. The cloud resolving model is now at a stage where it can provide reasonably accurate statistical information of the sub-grid, cloud-resolving processes poorly parameterized in climate models and numerical prediction models.

A two-column formalism for time-dependent modelling of stellar convection. I. Description of the method

NASA Astrophysics Data System (ADS)

Stökl, A.

2008-11-01

Context: In spite of all the advances in multi-dimensional hydrodynamics, investigations of stellar evolution and stellar pulsations still depend on one-dimensional computations. This paper devises an alternative to the mixing-length theory or turbulence models usually adopted in modelling convective transport in such studies. Aims: The present work attempts to develop a time-dependent description of convection, which reflects the essential physics of convection and that is only moderately dependent on numerical parameters and far less time consuming than existing multi-dimensional hydrodynamics computations. Methods: Assuming that the most extensive convective patterns generate the majority of convective transport, the convective velocity field is described using two parallel, radial columns to represent up- and downstream flows. Horizontal exchange, in the form of fluid flow and radiation, over their connecting interface couples the two columns and allows a simple circulating motion. The main parameters of this convective description have straightforward geometrical meanings, namely the diameter of the columns (corresponding to the size of the convective cells) and the ratio of the cross-section between up- and downdrafts. For this geometrical setup, the time-dependent solution of the equations of radiation hydrodynamics is computed from an implicit scheme that has the advantage of being unaffected by the Courant-Friedrichs-Lewy time-step limit. This implementation is part of the TAPIR-Code (short for The adaptive, implicit RHD-Code). Results: To demonstrate the approach, results for convection zones in Cepheids are presented. The convective energy transport and convective velocities agree with expectations for Cepheids and the scheme reproduces both the kinetic energy flux and convective overshoot. A study of the parameter influence shows that the type of solution derived for these stars is in fact fairly robust with respect to the constitutive numerical parameters.

Application of the Fokker-Planck molecular mixing model to turbulent scalar mixing using moment methods

NASA Astrophysics Data System (ADS)

Madadi-Kandjani, E.; Fox, R. O.; Passalacqua, A.

2017-06-01

An extended quadrature method of moments using the β kernel density function (β -EQMOM) is used to approximate solutions to the evolution equation for univariate and bivariate composition probability distribution functions (PDFs) of a passive scalar for binary and ternary mixing. The key element of interest is the molecular mixing term, which is described using the Fokker-Planck (FP) molecular mixing model. The direct numerical simulations (DNSs) of Eswaran and Pope ["Direct numerical simulations of the turbulent mixing of a passive scalar," Phys. Fluids 31, 506 (1988)] and the amplitude mapping closure (AMC) of Pope ["Mapping closures for turbulent mixing and reaction," Theor. Comput. Fluid Dyn. 2, 255 (1991)] are taken as reference solutions to establish the accuracy of the FP model in the case of binary mixing. The DNSs of Juneja and Pope ["A DNS study of turbulent mixing of two passive scalars," Phys. Fluids 8, 2161 (1996)] are used to validate the results obtained for ternary mixing. Simulations are performed with both the conditional scalar dissipation rate (CSDR) proposed by Fox [Computational Methods for Turbulent Reacting Flows (Cambridge University Press, 2003)] and the CSDR from AMC, with the scalar dissipation rate provided as input and obtained from the DNS. Using scalar moments up to fourth order, the ability of the FP model to capture the evolution of the shape of the PDF, important in turbulent mixing problems, is demonstrated. Compared to the widely used assumed β -PDF model [S. S. Girimaji, "Assumed β-pdf model for turbulent mixing: Validation and extension to multiple scalar mixing," Combust. Sci. Technol. 78, 177 (1991)], the β -EQMOM solution to the FP model more accurately describes the initial mixing process with a relatively small increase in computational cost.

Tsunami hazard assessment in El Salvador, Central America, from seismic sources through flooding numerical models

NASA Astrophysics Data System (ADS)

Álvarez-Gómez, J. A.; Aniel-Quiroga, Í.; Gutiérrez-Gutiérrez, O. Q.; Larreynaga, J.; González, M.; Castro, M.; Gavidia, F.; Aguirre-Ayerbe, I.; González-Riancho, P.; Carreño, E.

2013-05-01

El Salvador is the smallest and most densely populated country in Central America; its coast has approximately a length of 320 km, 29 municipalities and more than 700 000 inhabitants. In El Salvador there have been 15 recorded tsunamis between 1859 and 2012, 3 of them causing damages and hundreds of victims. The hazard assessment is commonly based on propagation numerical models for earthquake-generated tsunamis and can be approached from both Probabilistic and Deterministic Methods. A deterministic approximation has been applied in this study as it provides essential information for coastal planning and management. The objective of the research was twofold, on the one hand the characterization of the threat over the entire coast of El Salvador, and on the other the computation of flooding maps for the three main localities of the Salvadorian coast. For the latter we developed high resolution flooding models. For the former, due to the extension of the coastal area, we computed maximum elevation maps and from the elevation in the near-shore we computed an estimation of the run-up and the flooded area using empirical relations. We have considered local sources located in the Middle America Trench, characterized seismotectonically, and distant sources in the rest of Pacific basin, using historical and recent earthquakes and tsunamis. We used a hybrid finite differences - finite volumes numerical model in this work, based on the Linear and Non-linear Shallow Water Equations, to simulate a total of 24 earthquake generated tsunami scenarios. In the western Salvadorian coast, run-up values higher than 5 m are common, while in the eastern area, approximately from La Libertad to the Gulf of Fonseca, the run-up values are lower. The more exposed areas to flooding are the lowlands in the Lempa River delta and the Barra de Santiago Western Plains. The results of the empirical approximation used for the whole country are similar to the results obtained with the high resolution numerical modelling, being a good and fast approximation to obtain preliminary tsunami hazard estimations. In Acajutla and La Libertad, both important tourism centres being actively developed, flooding depths between 2 and 4 m are frequent, accompanied with high and very high person instability hazard. Inside the Gulf of Fonseca the impact of the waves is almost negligible.

Tsunami hazard assessment in El Salvador, Central America, from seismic sources through flooding numerical models.

NASA Astrophysics Data System (ADS)

Álvarez-Gómez, J. A.; Aniel-Quiroga, Í.; Gutiérrez-Gutiérrez, O. Q.; Larreynaga, J.; González, M.; Castro, M.; Gavidia, F.; Aguirre-Ayerbe, I.; González-Riancho, P.; Carreño, E.

2013-11-01

El Salvador is the smallest and most densely populated country in Central America; its coast has an approximate length of 320 km, 29 municipalities and more than 700 000 inhabitants. In El Salvador there were 15 recorded tsunamis between 1859 and 2012, 3 of them causing damages and resulting in hundreds of victims. Hazard assessment is commonly based on propagation numerical models for earthquake-generated tsunamis and can be approached through both probabilistic and deterministic methods. A deterministic approximation has been applied in this study as it provides essential information for coastal planning and management. The objective of the research was twofold: on the one hand the characterization of the threat over the entire coast of El Salvador, and on the other the computation of flooding maps for the three main localities of the Salvadorian coast. For the latter we developed high-resolution flooding models. For the former, due to the extension of the coastal area, we computed maximum elevation maps, and from the elevation in the near shore we computed an estimation of the run-up and the flooded area using empirical relations. We have considered local sources located in the Middle America Trench, characterized seismotectonically, and distant sources in the rest of Pacific Basin, using historical and recent earthquakes and tsunamis. We used a hybrid finite differences-finite volumes numerical model in this work, based on the linear and non-linear shallow water equations, to simulate a total of 24 earthquake-generated tsunami scenarios. Our results show that at the western Salvadorian coast, run-up values higher than 5 m are common, while in the eastern area, approximately from La Libertad to the Gulf of Fonseca, the run-up values are lower. The more exposed areas to flooding are the lowlands in the Lempa River delta and the Barra de Santiago Western Plains. The results of the empirical approximation used for the whole country are similar to the results obtained with the high-resolution numerical modelling, being a good and fast approximation to obtain preliminary tsunami hazard estimations. In Acajutla and La Libertad, both important tourism centres being actively developed, flooding depths between 2 and 4 m are frequent, accompanied with high and very high person instability hazard. Inside the Gulf of Fonseca the impact of the waves is almost negligible.

Numerical Study of Magnetic Damping During Unidirectional Solidification

NASA Technical Reports Server (NTRS)

Li, Ben Q.

1997-01-01

A fully 3-D numerical model is developed to represent magnetic damping of complex fluid flow, heat transfer and electromagnetic field distributions in a melt cavity. The model is developed based on our in-house finite element code for the fluid flow, heat transfer and electromagnetic field calculations. The computer code has been tested against benchmark test problems that are solved by other commercial codes as well as analytical solutions whenever available. The numerical model is tested against numerical and experimental results for water reported in literature. With the model so tested, various numerical simulations are carried out for the Sn-35.5% Pb melt convection and temperature distribution in a cylindrical cavity with and without the presence of a transverse magnetic field. Numerical results show that magnetic damping can be effectively applied to reduce turbulence and flow levels in the melt undergoing solidification and over a certain threshold value a higher magnetic field resulted in a higher velocity reduction. It is found also that for a fully 3-D representation of the magnetic damping effects, the electric field induced in the melt by the applied DC magnetic field does not vanish, as some researchers suggested, and must be included even for molten metal and semiconductors. Also, for the study of the melt flow instability, a long enough time has to be applied to ensure the final fluid flow recirculation pattern. Moreover, our numerical results suggested that there seems to exist a threshold value of applied magnetic field, above which magnetic damping becomes possible and below which the convection in the melt is actually enhanced. Because of the limited financial resource allocated for the project, we are unable to carry out extensive study on this effect, which should warrant further theoretical and experimental study. In that endeavor, the developed numerical model should be very useful; and the model should serve as a useful tool for exploring necessary design parameters for planning magnetic damping experiments and interpreting the experimental results.

Thermal modeling of grinding for process optimization and durability improvements

NASA Astrophysics Data System (ADS)

Hanna, Ihab M.

Both thermal and mechanical aspects of the grinding process are investigated in detail in an effort to predict grinding induced residual stresses. An existing thermal model is used as a foundation for computing heat partitions and temperatures in surface grinding. By numerically processing data from IR temperature measurements of the grinding zone; characterizations are made of the grinding zone heat flux. It is concluded that the typical heat flux profile in the grinding zone is triangular in shape, supporting this often used assumption found in the literature. Further analyses of the computed heat flux profiles has revealed that actual grinding zone contact lengths exceed geometric contact lengths by an average of 57% for the cases considered. By integrating the resulting heat flux profiles; workpiece energy partitions are computed for several cases of dry conventional grinding of hardened steel. The average workpiece energy partition for the cases considered was 37%. In an effort to more accurately predict grinding zone temperatures and heat fluxes, refinements are made to the existing thermal model. These include consideration of contact length extensions due to local elastic deformations, variations of the assumed contact area ratio as a function of grinding process parameters, consideration of coolant latent heat of vaporization and its effect on heat transfer beyond the coolant boiling point, and incorporation of coolant-workpiece convective heat flux effects outside the grinding zone. The result of the model refinements accounting for contact length extensions and process-dependant contact area ratios is excellent agreement with IR temperature measurements over a wide range of grinding conditions. By accounting for latent heat of vaporization effects, grinding zone temperature profiles are shown to be capable of reproducing measured profiles found in the literature for cases on the verge of thermal surge conditions. Computed peak grinding zone temperatures for the aggressive grinding examples given are 30--50% lower than those computed using the existing thermal model formulation. By accounting for convective heat transfer effects outside the grinding zone, it is shown that while surface temperatures in the wake of the grinding zone may be significantly affected under highly convective conditions, computed residual stresses are less sensitive to such conditions. Numerical models are used to evaluate both thermally and mechanically induced stress fields in an elastic workpiece, while finite element modeling is used to evaluate residual stresses for workpieces with elastic-plastic material properties. Modeling of mechanical interactions at the local grit-workpiece length scale is used to create the often measured effect of compressive surface residual stress followed by a subsurface tensile peak. The model is shown to be capable of reproducing trends found in the literature of surface residual stresses which are compressive for low temperature grinding conditions, with surface stresses increasing linearly and becoming tensile with increasing temperatures. Further modifications to the finite element model are made to allow for transiently varying inputs for more complicated grinding processes of industrial components such as automotive cam lobes.

Designing stream restoration structures using 3D hydro-morphodynamic numerical modeling

NASA Astrophysics Data System (ADS)

Khosronejad, A.; Kozarek, J. L.; Hill, C.; Kang, S.; Plott, R.; Diplas, P.; Sotiropoulos, F.

2012-12-01

Efforts to stabilize and restore streams and rivers across the nation have grown dramatically in the last fifteen years, with over $1 billion spent every year since 1990. The development of effective and long-lasting strategies, however, is far from trivial and despite large investments it is estimated that at least 50% of stream restoration projects fail. This is because stream restoration is today more of an art than a science. The lack of physics-based engineering standards for stream restoration techniques is best underscored in the design and installation of shallow, in-stream, low-flow structures, which direct flow away from the banks, protect stream banks from erosion and scour, and increase habitat diversity. Present-day design guidelines for such in-stream structures are typically vague and rely heavily on empirical knowledge and intuition rather than physical understanding of the interactions of the structures the flow and sediment transport processes in the waterway. We have developed a novel computer-simulation based paradigm for designing in stream structures that is based on state-of-the-art 3D hydro-morphodynamic modeling validated with laboratory and field-scale experiments. The numerical model is based on the Curvilinear Immersed Boundary (CURVIB) approach of Kang et al. and Khosronejad et al. (Adv. in Water Res. 2010, 2011), which can simulate flow and sediment transport processes in arbitrarily complex waterways with embedded rock structures. URANS or large-eddy simulation (LES) models are used to simulate turbulence. Transport of bed materials is simulated using the non-equilibrium Exner equation for the bed surface elevation coupled with a transport equation for suspended load. Extensive laboratory and field-scale experiments have been carried out and employed to validate extensively the computational model. The numerical model is used to develop a virtual testing environment within which one or multiple in-stream structures can be embedded in representative live-bed meandering waterways and simulated numerically to systematically investigate the sensitivity of various design and installation parameters on structure performance and reliability. Waterway geometries are selected by a statistical classification of rivers and streams to represent typical sand-bed and gravel-bed systems found in nature. Results will be presented for rock vanes, J-hook vanes and bendway weirs. Our findings provide novel physical insights into the effects of various in-stream structures on turbulent flow and sediment transport processes in meandering rivers, underscore these effects for different stream-bed materials, and demonstrate how such physics-based analysis can yield design guidelines that often challenge what is commonly done in practice today. To our knowledge, our work is the first systematic attempt to employ advanced numerical modeling coupled with massively parallel supercomputers to design hydraulic structures for stream restoration. This work was supported by NSF Grants EAR-0120914 and EAR-0738726, National Cooperative Highway Research Program Grant NCHRP-HR 24-33.

Application of triggered lightning numerical models to the F106B and extension to other aircraft

NASA Technical Reports Server (NTRS)

Ng, Poh H.; Dalke, Roger A.; Horembala, Jim; Rudolph, Terence; Perala, Rodney A.

1988-01-01

The goal of the F106B Thunderstorm Research Program is to characterize the lightning environment for aircraft in flight. This report describes the application of numerical electromagnetic models to this problem. Topics include: (1) Extensive application of linear triggered lightning to F106B data; (2) Electrostatic analysis of F106B field mill data; (3) Application of subgrid modeling to F106B nose region, including both static and nonlinear models; (4) Extension of F106B results to other aircraft of varying sizes and shapes; and (5) Application of nonlinear model to interaction of F106B with lightning leader-return stroke event.

Current research activities: Applied and numerical mathematics, fluid mechanics, experiments in transition and turbulence and aerodynamics, and computer science

NASA Technical Reports Server (NTRS)

1992-01-01

Research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, numerical analysis, fluid mechanics including fluid dynamics, acoustics, and combustion, aerodynamics, and computer science during the period 1 Apr. 1992 - 30 Sep. 1992 is summarized.

Numerical Relativity, Black Hole Mergers, and Gravitational Waves: Part I

NASA Technical Reports Server (NTRS)

Centrella, Joan

2012-01-01

This series of 3 lectures will present recent developments in numerical relativity, and their applications to simulating black hole mergers and computing the resulting gravitational waveforms. In this first lecture, we introduce the basic ideas of numerical relativity, highlighting the challenges that arise in simulating gravitational wave sources on a computer.

Numerical Computation of Sensitivities and the Adjoint Approach

NASA Technical Reports Server (NTRS)

Lewis, Robert Michael

1997-01-01

We discuss the numerical computation of sensitivities via the adjoint approach in optimization problems governed by differential equations. We focus on the adjoint problem in its weak form. We show how one can avoid some of the problems with the adjoint approach, such as deriving suitable boundary conditions for the adjoint equation. We discuss the convergence of numerical approximations of the costate computed via the weak form of the adjoint problem and show the significance for the discrete adjoint problem.

Comments on the Development of Computational Mathematics in Czechoslovakia and in the USSR.

DTIC Science & Technology

1987-03-01

ACT (COusduMe an reverse .eld NE 4040604W SWi 1410011 6F 660" ambe The talk is an Invited lecture at Ale Conference on the History of Scientific and...Numeric Computations, May 13-15, 1987, Princeton, New Jersey. It present soon basic subjective observations about the history of numerical methods in...invited lecture at ACH Conference on the History of Scientific and Numeric Computations, May 13’-15, 1987, Princeton, New Jersey. It present some basic

Investigation of the effect of the ejector on the performance of the pulse detonation engine nozzle extension

NASA Astrophysics Data System (ADS)

Korobov, A. E.; Golovastov, S. V.

2015-11-01

Influence of an ejector nozzle extension on gas flow at a pulse detonation engine was investigated numerically and experimentally. Detonation formation was organized in stoichiometric hydrogen-oxygen mixture in cylindrical detonation tube. Cylindrical ejector was constructed and mounted at the open end of the tube. Thrust, air consumption and parameters of the detonation were measured in single and multiple regimes of operation. Axisymmetric model was used in numerical investigation. Equations of Navies-Stokes were solved using a finite-difference scheme Roe of second order of accuracy. Initial conditions were estimated on a base of experimental data. Numerical results were validated with experiments data.

OpenFlow Extensions for Programmable Quantum Networks

DTIC Science & Technology

2017-06-19

Extensions for Programmable Quantum Networks by Venkat Dasari, Nikolai Snow, and Billy Geerhart Computational and Information Sciences Directorate...distribution is unlimited. 1 1. Introduction Quantum networks and quantum computing have been receiving a surge of interest recently.1–3 However, there has...communicate using entangled particles and perform calculations using quantum logic gates. Additionally, quantum computing uses a quantum bit (qubit