Sample records for present computational methods

  1. On finite element methods for the Helmholtz equation

    NASA Technical Reports Server (NTRS)

    Aziz, A. K.; Werschulz, A. G.

    1979-01-01

    The numerical solution of the Helmholtz equation is considered via finite element methods. A two-stage method which gives the same accuracy in the computed gradient as in the computed solution is discussed. Error estimates for the method using a newly developed proof are given, and the computational considerations which show this method to be computationally superior to previous methods are presented.

  2. Convergence acceleration of the Proteus computer code with multigrid methods

    NASA Technical Reports Server (NTRS)

    Demuren, A. O.; Ibraheem, S. O.

    1992-01-01

    Presented here is the first part of a study to implement convergence acceleration techniques based on the multigrid concept in the Proteus computer code. A review is given of previous studies on the implementation of multigrid methods in computer codes for compressible flow analysis. Also presented is a detailed stability analysis of upwind and central-difference based numerical schemes for solving the Euler and Navier-Stokes equations. Results are given of a convergence study of the Proteus code on computational grids of different sizes. The results presented here form the foundation for the implementation of multigrid methods in the Proteus code.

  3. The application of generalized, cyclic, and modified numerical integration algorithms to problems of satellite orbit computation

    NASA Technical Reports Server (NTRS)

    Chesler, L.; Pierce, S.

    1971-01-01

    Generalized, cyclic, and modified multistep numerical integration methods are developed and evaluated for application to problems of satellite orbit computation. Generalized methods are compared with the presently utilized Cowell methods; new cyclic methods are developed for special second-order differential equations; and several modified methods are developed and applied to orbit computation problems. Special computer programs were written to generate coefficients for these methods, and subroutines were written which allow use of these methods with NASA's GEOSTAR computer program.

  4. A vectorized Lanczos eigensolver for high-performance computers

    NASA Technical Reports Server (NTRS)

    Bostic, Susan W.

    1990-01-01

    The computational strategies used to implement a Lanczos-based-method eigensolver on the latest generation of supercomputers are described. Several examples of structural vibration and buckling problems are presented that show the effects of using optimization techniques to increase the vectorization of the computational steps. The data storage and access schemes and the tools and strategies that best exploit the computer resources are presented. The method is implemented on the Convex C220, the Cray 2, and the Cray Y-MP computers. Results show that very good computation rates are achieved for the most computationally intensive steps of the Lanczos algorithm and that the Lanczos algorithm is many times faster than other methods extensively used in the past.

  5. Novel scheme to compute chemical potentials of chain molecules on a lattice

    NASA Astrophysics Data System (ADS)

    Mooij, G. C. A. M.; Frenkel, D.

    We present a novel method that allows efficient computation of the total number of allowed conformations of a chain molecule in a dense phase. Using this method, it is possible to estimate the chemical potential of such a chain molecule. We have tested the present method in simulations of a two-dimensional monolayer of chain molecules on a lattice (Whittington-Chapman model) and compared it with existing schemes to compute the chemical potential. We find that the present approach is two to three orders of magnitude faster than the most efficient of the existing methods.

  6. Methods for Computationally Efficient Structured CFD Simulations of Complex Turbomachinery Flows

    NASA Technical Reports Server (NTRS)

    Herrick, Gregory P.; Chen, Jen-Ping

    2012-01-01

    This research presents more efficient computational methods by which to perform multi-block structured Computational Fluid Dynamics (CFD) simulations of turbomachinery, thus facilitating higher-fidelity solutions of complicated geometries and their associated flows. This computational framework offers flexibility in allocating resources to balance process count and wall-clock computation time, while facilitating research interests of simulating axial compressor stall inception with more complete gridding of the flow passages and rotor tip clearance regions than is typically practiced with structured codes. The paradigm presented herein facilitates CFD simulation of previously impractical geometries and flows. These methods are validated and demonstrate improved computational efficiency when applied to complicated geometries and flows.

  7. Computational structural mechanics methods research using an evolving framework

    NASA Technical Reports Server (NTRS)

    Knight, N. F., Jr.; Lotts, C. G.; Gillian, R. E.

    1990-01-01

    Advanced structural analysis and computational methods that exploit high-performance computers are being developed in a computational structural mechanics research activity sponsored by the NASA Langley Research Center. These new methods are developed in an evolving framework and applied to representative complex structural analysis problems from the aerospace industry. An overview of the methods development environment is presented, and methods research areas are described. Selected application studies are also summarized.

  8. Minimizing the Free Energy: A Computer Method for Teaching Chemical Equilibrium Concepts.

    ERIC Educational Resources Information Center

    Heald, Emerson F.

    1978-01-01

    Presents a computer method for teaching chemical equilibrium concepts using material balance conditions and the minimization of the free energy. Method for the calculation of chemical equilibrium, the computer program used to solve equilibrium problems and applications of the method are also included. (HM)

  9. Advances in mixed-integer programming methods for chemical production scheduling.

    PubMed

    Velez, Sara; Maravelias, Christos T

    2014-01-01

    The goal of this paper is to critically review advances in the area of chemical production scheduling over the past three decades and then present two recently proposed solution methods that have led to dramatic computational enhancements. First, we present a general framework and problem classification and discuss modeling and solution methods with an emphasis on mixed-integer programming (MIP) techniques. Second, we present two solution methods: (a) a constraint propagation algorithm that allows us to compute parameters that are then used to tighten MIP scheduling models and (b) a reformulation that introduces new variables, thus leading to effective branching. We also present computational results and an example illustrating how these methods are implemented, as well as the resulting enhancements. We close with a discussion of open research challenges and future research directions.

  10. Convergence acceleration of the Proteus computer code with multigrid methods

    NASA Technical Reports Server (NTRS)

    Demuren, A. O.; Ibraheem, S. O.

    1995-01-01

    This report presents the results of a study to implement convergence acceleration techniques based on the multigrid concept in the two-dimensional and three-dimensional versions of the Proteus computer code. The first section presents a review of the relevant literature on the implementation of the multigrid methods in computer codes for compressible flow analysis. The next two sections present detailed stability analysis of numerical schemes for solving the Euler and Navier-Stokes equations, based on conventional von Neumann analysis and the bi-grid analysis, respectively. The next section presents details of the computational method used in the Proteus computer code. Finally, the multigrid implementation and applications to several two-dimensional and three-dimensional test problems are presented. The results of the present study show that the multigrid method always leads to a reduction in the number of iterations (or time steps) required for convergence. However, there is an overhead associated with the use of multigrid acceleration. The overhead is higher in 2-D problems than in 3-D problems, thus overall multigrid savings in CPU time are in general better in the latter. Savings of about 40-50 percent are typical in 3-D problems, but they are about 20-30 percent in large 2-D problems. The present multigrid method is applicable to steady-state problems and is therefore ineffective in problems with inherently unstable solutions.

  11. Biomimetic design processes in architecture: morphogenetic and evolutionary computational design.

    PubMed

    Menges, Achim

    2012-03-01

    Design computation has profound impact on architectural design methods. This paper explains how computational design enables the development of biomimetic design processes specific to architecture, and how they need to be significantly different from established biomimetic processes in engineering disciplines. The paper first explains the fundamental difference between computer-aided and computational design in architecture, as the understanding of this distinction is of critical importance for the research presented. Thereafter, the conceptual relation and possible transfer of principles from natural morphogenesis to design computation are introduced and the related developments of generative, feature-based, constraint-based, process-based and feedback-based computational design methods are presented. This morphogenetic design research is then related to exploratory evolutionary computation, followed by the presentation of two case studies focusing on the exemplary development of spatial envelope morphologies and urban block morphologies.

  12. Introduction to computational aero-acoustics

    NASA Technical Reports Server (NTRS)

    Hardin, Jay C.

    1996-01-01

    Computational aeroacoustics (CAA) is introduced, by presenting its definition, advantages, applications, and initial challenges. The effects of Mach number and Reynolds number on CAA are considered. The CAA method combines the methods of aeroacoustics and computational fluid dynamics.

  13. Renormalized stress-energy tensor for stationary black holes

    NASA Astrophysics Data System (ADS)

    Levi, Adam

    2017-01-01

    We continue the presentation of the pragmatic mode-sum regularization (PMR) method for computing the renormalized stress-energy tensor (RSET). We show in detail how to employ the t -splitting variant of the method, which was first presented for ⟨ϕ2⟩ren , to compute the RSET in a stationary, asymptotically flat background. This variant of the PMR method was recently used to compute the RSET for an evaporating spinning black hole. As an example for regularization, we demonstrate here the computation of the RSET for a minimally coupled, massless scalar field on Schwarzschild background in all three vacuum states. We discuss future work and possible improvements of the regularization schemes in the PMR method.

  14. Moving Computational Domain Method and Its Application to Flow Around a High-Speed Car Passing Through a Hairpin Curve

    NASA Astrophysics Data System (ADS)

    Watanabe, Koji; Matsuno, Kenichi

    This paper presents a new method for simulating flows driven by a body traveling with neither restriction on motion nor a limit of a region size. In the present method named 'Moving Computational Domain Method', the whole of the computational domain including bodies inside moves in the physical space without the limit of region size. Since the whole of the grid of the computational domain moves according to the movement of the body, a flow solver of the method has to be constructed on the moving grid system and it is important for the flow solver to satisfy physical and geometric conservation laws simultaneously on moving grid. For this issue, the Moving-Grid Finite-Volume Method is employed as the flow solver. The present Moving Computational Domain Method makes it possible to simulate flow driven by any kind of motion of the body in any size of the region with satisfying physical and geometric conservation laws simultaneously. In this paper, the method is applied to the flow around a high-speed car passing through a hairpin curve. The distinctive flow field driven by the car at the hairpin curve has been demonstrated in detail. The results show the promising feature of the method.

  15. A Computer Program for the Calculation of Three-Dimensional Transonic Nacelle/Inlet Flowfields

    NASA Technical Reports Server (NTRS)

    Vadyak, J.; Atta, E. H.

    1983-01-01

    A highly efficient computer analysis was developed for predicting transonic nacelle/inlet flowfields. This algorithm can compute the three dimensional transonic flowfield about axisymmetric (or asymmetric) nacelle/inlet configurations at zero or nonzero incidence. The flowfield is determined by solving the full-potential equation in conservative form on a body-fitted curvilinear computational mesh. The difference equations are solved using the AF2 approximate factorization scheme. This report presents a discussion of the computational methods used to both generate the body-fitted curvilinear mesh and to obtain the inviscid flow solution. Computed results and correlations with existing methods and experiment are presented. Also presented are discussions on the organization of the grid generation (NGRIDA) computer program and the flow solution (NACELLE) computer program, descriptions of the respective subroutines, definitions of the required input parameters for both algorithms, a brief discussion on interpretation of the output, and sample cases to illustrate application of the analysis.

  16. Numerical simulation using vorticity-vector potential formulation

    NASA Technical Reports Server (NTRS)

    Tokunaga, Hiroshi

    1993-01-01

    An accurate and efficient computational method is needed for three-dimensional incompressible viscous flows in engineering applications. On solving the turbulent shear flows directly or using the subgrid scale model, it is indispensable to resolve the small scale fluid motions as well as the large scale motions. From this point of view, the pseudo-spectral method is used so far as the computational method. However, the finite difference or the finite element methods are widely applied for computing the flow with practical importance since these methods are easily applied to the flows with complex geometric configurations. However, there exist several problems in applying the finite difference method to direct and large eddy simulations. Accuracy is one of most important problems. This point was already addressed by the present author on the direct simulations on the instability of the plane Poiseuille flow and also on the transition to turbulence. In order to obtain high efficiency, the multi-grid Poisson solver is combined with the higher-order, accurate finite difference method. The formulation method is also one of the most important problems in applying the finite difference method to the incompressible turbulent flows. The three-dimensional Navier-Stokes equations have been solved so far in the primitive variables formulation. One of the major difficulties of this method is the rigorous satisfaction of the equation of continuity. In general, the staggered grid is used for the satisfaction of the solenoidal condition for the velocity field at the wall boundary. However, the velocity field satisfies the equation of continuity automatically in the vorticity-vector potential formulation. From this point of view, the vorticity-vector potential method was extended to the generalized coordinate system. In the present article, we adopt the vorticity-vector potential formulation, the generalized coordinate system, and the 4th-order accurate difference method as the computational method. We present the computational method and apply the present method to computations of flows in a square cavity at large Reynolds number in order to investigate its effectiveness.

  17. Computational Aeroelastic Modeling of Airframes and TurboMachinery: Progress and Challenges

    NASA Technical Reports Server (NTRS)

    Bartels, R. E.; Sayma, A. I.

    2006-01-01

    Computational analyses such as computational fluid dynamics and computational structural dynamics have made major advances toward maturity as engineering tools. Computational aeroelasticity is the integration of these disciplines. As computational aeroelasticity matures it too finds an increasing role in the design and analysis of aerospace vehicles. This paper presents a survey of the current state of computational aeroelasticity with a discussion of recent research, success and continuing challenges in its progressive integration into multidisciplinary aerospace design. This paper approaches computational aeroelasticity from the perspective of the two main areas of application: airframe and turbomachinery design. An overview will be presented of the different prediction methods used for each field of application. Differing levels of nonlinear modeling will be discussed with insight into accuracy versus complexity and computational requirements. Subjects will include current advanced methods (linear and nonlinear), nonlinear flow models, use of order reduction techniques and future trends in incorporating structural nonlinearity. Examples in which computational aeroelasticity is currently being integrated into the design of airframes and turbomachinery will be presented.

  18. A New Computational Method to Fit the Weighted Euclidean Distance Model.

    ERIC Educational Resources Information Center

    De Leeuw, Jan; Pruzansky, Sandra

    1978-01-01

    A computational method for weighted euclidean distance scaling (a method of multidimensional scaling) which combines aspects of an "analytic" solution with an approach using loss functions is presented. (Author/JKS)

  19. A novel evaluation method for building construction project based on integrated information entropy with reliability theory.

    PubMed

    Bai, Xiao-ping; Zhang, Xi-wei

    2013-01-01

    Selecting construction schemes of the building engineering project is a complex multiobjective optimization decision process, in which many indexes need to be selected to find the optimum scheme. Aiming at this problem, this paper selects cost, progress, quality, and safety as the four first-order evaluation indexes, uses the quantitative method for the cost index, uses integrated qualitative and quantitative methodologies for progress, quality, and safety indexes, and integrates engineering economics, reliability theories, and information entropy theory to present a new evaluation method for building construction project. Combined with a practical case, this paper also presents detailed computing processes and steps, including selecting all order indexes, establishing the index matrix, computing score values of all order indexes, computing the synthesis score, sorting all selected schemes, and making analysis and decision. Presented method can offer valuable references for risk computing of building construction projects.

  20. Numerical computation of diffusion on a surface.

    PubMed

    Schwartz, Peter; Adalsteinsson, David; Colella, Phillip; Arkin, Adam Paul; Onsum, Matthew

    2005-08-09

    We present a numerical method for computing diffusive transport on a surface derived from image data. Our underlying discretization method uses a Cartesian grid embedded boundary method for computing the volume transport in a region consisting of all points a small distance from the surface. We obtain a representation of this region from image data by using a front propagation computation based on level set methods for solving the Hamilton-Jacobi and eikonal equations. We demonstrate that the method is second-order accurate in space and time and is capable of computing solutions on complex surface geometries obtained from image data of cells.

  1. Ways of achieving continuous service from computers

    NASA Technical Reports Server (NTRS)

    Quinn, M. J., Jr.

    1974-01-01

    This paper outlines the methods used in the real-time computer complex to keep computers operating. Methods include selectover, high-speed restart, and low-speed restart. The hardware and software needed to implement these methods is discussed as well as the system recovery facility, alternate device support, and timeout. In general, methods developed while supporting the Gemini, Apollo, and Skylab space missions are presented.

  2. [Axial computer tomography of the neurocranium (author's transl)].

    PubMed

    Stöppler, L

    1977-05-27

    Computer tomography (CT), a new radiographic examination technique, is very highly efficient, for it has high informative content with little stress for the patient. In contrast to the conventional X-ray technology, CT succeeds, by direct presentation of the structure of the soft parts, in obtaining information which comes close to that of macroscopic neuropathology. The capacity and limitations of the method at the present stage of development are reported. Computer tomography cannot displace conventional neuroradiological methods of investigation, although it is rightly presented as a screening method and helps towards selective use. Indications, technical integration and handling of CT are prerequisites for the exhaustive benefit of the excellent new technique.

  3. A boundary integral method for numerical computation of radar cross section of 3D targets using hybrid BEM/FEM with edge elements

    NASA Astrophysics Data System (ADS)

    Dodig, H.

    2017-11-01

    This contribution presents the boundary integral formulation for numerical computation of time-harmonic radar cross section for 3D targets. Method relies on hybrid edge element BEM/FEM to compute near field edge element coefficients that are associated with near electric and magnetic fields at the boundary of the computational domain. Special boundary integral formulation is presented that computes radar cross section directly from these edge element coefficients. Consequently, there is no need for near-to-far field transformation (NTFFT) which is common step in RCS computations. By the end of the paper it is demonstrated that the formulation yields accurate results for canonical models such as spheres, cubes, cones and pyramids. Method has demonstrated accuracy even in the case of dielectrically coated PEC sphere at interior resonance frequency which is common problem for computational electromagnetic codes.

  4. A fast object-oriented Matlab implementation of the Reproducing Kernel Particle Method

    NASA Astrophysics Data System (ADS)

    Barbieri, Ettore; Meo, Michele

    2012-05-01

    Novel numerical methods, known as Meshless Methods or Meshfree Methods and, in a wider perspective, Partition of Unity Methods, promise to overcome most of disadvantages of the traditional finite element techniques. The absence of a mesh makes meshfree methods very attractive for those problems involving large deformations, moving boundaries and crack propagation. However, meshfree methods still have significant limitations that prevent their acceptance among researchers and engineers, namely the computational costs. This paper presents an in-depth analysis of computational techniques to speed-up the computation of the shape functions in the Reproducing Kernel Particle Method and Moving Least Squares, with particular focus on their bottlenecks, like the neighbour search, the inversion of the moment matrix and the assembly of the stiffness matrix. The paper presents numerous computational solutions aimed at a considerable reduction of the computational times: the use of kd-trees for the neighbour search, sparse indexing of the nodes-points connectivity and, most importantly, the explicit and vectorized inversion of the moment matrix without using loops and numerical routines.

  5. Computational techniques in tribology and material science at the atomic level

    NASA Technical Reports Server (NTRS)

    Ferrante, J.; Bozzolo, G. H.

    1992-01-01

    Computations in tribology and material science at the atomic level present considerable difficulties. Computational techniques ranging from first-principles to semi-empirical and their limitations are discussed. Example calculations of metallic surface energies using semi-empirical techniques are presented. Finally, application of the methods to calculation of adhesion and friction are presented.

  6. On the minimum orbital intersection distance computation: a new effective method

    NASA Astrophysics Data System (ADS)

    Hedo, José M.; Ruíz, Manuel; Peláez, Jesús

    2018-06-01

    The computation of the Minimum Orbital Intersection Distance (MOID) is an old, but increasingly relevant problem. Fast and precise methods for MOID computation are needed to select potentially hazardous asteroids from a large catalogue. The same applies to debris with respect to spacecraft. An iterative method that strictly meets these two premises is presented.

  7. Developing an Efficient Computational Method that Estimates the Ability of Students in a Web-Based Learning Environment

    ERIC Educational Resources Information Center

    Lee, Young-Jin

    2012-01-01

    This paper presents a computational method that can efficiently estimate the ability of students from the log files of a Web-based learning environment capturing their problem solving processes. The computational method developed in this study approximates the posterior distribution of the student's ability obtained from the conventional Bayes…

  8. Overview of computational structural methods for modern military aircraft

    NASA Technical Reports Server (NTRS)

    Kudva, J. N.

    1992-01-01

    Computational structural methods are essential for designing modern military aircraft. This briefing deals with computational structural methods (CSM) currently used. First a brief summary of modern day aircraft structural design procedures is presented. Following this, several ongoing CSM related projects at Northrop are discussed. Finally, shortcomings in this area, future requirements, and summary remarks are given.

  9. A fast finite-difference algorithm for topology optimization of permanent magnets

    NASA Astrophysics Data System (ADS)

    Abert, Claas; Huber, Christian; Bruckner, Florian; Vogler, Christoph; Wautischer, Gregor; Suess, Dieter

    2017-09-01

    We present a finite-difference method for the topology optimization of permanent magnets that is based on the fast-Fourier-transform (FFT) accelerated computation of the stray-field. The presented method employs the density approach for topology optimization and uses an adjoint method for the gradient computation. Comparison to various state-of-the-art finite-element implementations shows a superior performance and accuracy. Moreover, the presented method is very flexible and easy to implement due to various preexisting FFT stray-field implementations that can be used.

  10. Computationally efficient control allocation

    NASA Technical Reports Server (NTRS)

    Durham, Wayne (Inventor)

    2001-01-01

    A computationally efficient method for calculating near-optimal solutions to the three-objective, linear control allocation problem is disclosed. The control allocation problem is that of distributing the effort of redundant control effectors to achieve some desired set of objectives. The problem is deemed linear if control effectiveness is affine with respect to the individual control effectors. The optimal solution is that which exploits the collective maximum capability of the effectors within their individual physical limits. Computational efficiency is measured by the number of floating-point operations required for solution. The method presented returned optimal solutions in more than 90% of the cases examined; non-optimal solutions returned by the method were typically much less than 1% different from optimal and the errors tended to become smaller than 0.01% as the number of controls was increased. The magnitude of the errors returned by the present method was much smaller than those that resulted from either pseudo inverse or cascaded generalized inverse solutions. The computational complexity of the method presented varied linearly with increasing numbers of controls; the number of required floating point operations increased from 5.5 i, to seven times faster than did the minimum-norm solution (the pseudoinverse), and at about the same rate as did the cascaded generalized inverse solution. The computational requirements of the method presented were much better than that of previously described facet-searching methods which increase in proportion to the square of the number of controls.

  11. Solution of Poisson equations for 3-dimensional grid generations. [computations of a flow field over a thin delta wing

    NASA Technical Reports Server (NTRS)

    Fujii, K.

    1983-01-01

    A method for generating three dimensional, finite difference grids about complicated geometries by using Poisson equations is developed. The inhomogenous terms are automatically chosen such that orthogonality and spacing restrictions at the body surface are satisfied. Spherical variables are used to avoid the axis singularity, and an alternating-direction-implicit (ADI) solution scheme is used to accelerate the computations. Computed results are presented that show the capability of the method. Since most of the results presented have been used as grids for flow-field computations, this is indicative that the method is a useful tool for generating three-dimensional grids about complicated geometries.

  12. A parallel Jacobson-Oksman optimization algorithm. [parallel processing (computers)

    NASA Technical Reports Server (NTRS)

    Straeter, T. A.; Markos, A. T.

    1975-01-01

    A gradient-dependent optimization technique which exploits the vector-streaming or parallel-computing capabilities of some modern computers is presented. The algorithm, derived by assuming that the function to be minimized is homogeneous, is a modification of the Jacobson-Oksman serial minimization method. In addition to describing the algorithm, conditions insuring the convergence of the iterates of the algorithm and the results of numerical experiments on a group of sample test functions are presented. The results of these experiments indicate that this algorithm will solve optimization problems in less computing time than conventional serial methods on machines having vector-streaming or parallel-computing capabilities.

  13. Characterization of Meta-Materials Using Computational Electromagnetic Methods

    NASA Technical Reports Server (NTRS)

    Deshpande, Manohar; Shin, Joon

    2005-01-01

    An efficient and powerful computational method is presented to synthesize a meta-material to specified electromagnetic properties. Using the periodicity of meta-materials, the Finite Element Methodology (FEM) is developed to estimate the reflection and transmission through the meta-material structure for a normal plane wave incidence. For efficient computations of the reflection and transmission over a wide band frequency range through a meta-material a Finite Difference Time Domain (FDTD) approach is also developed. Using the Nicholson-Ross method and the Genetic Algorithms, a robust procedure to extract electromagnetic properties of meta-material from the knowledge of its reflection and transmission coefficients is described. Few numerical examples are also presented to validate the present approach.

  14. Thermal stress analysis of reusable surface insulation for shuttle

    NASA Technical Reports Server (NTRS)

    Ojalvo, I. U.; Levy, A.; Austin, F.

    1974-01-01

    An iterative procedure for accurately determining tile stresses associated with static mechanical and thermally induced internal loads is presented. The necessary conditions for convergence of the method are derived. An user-oriented computer program based upon the present method of analysis was developed. The program is capable of analyzing multi-tiled panels and determining the associated stresses. Typical numerical results from this computer program are presented.

  15. Parallelization of the FLAPW method and comparison with the PPW method

    NASA Astrophysics Data System (ADS)

    Canning, Andrew; Mannstadt, Wolfgang; Freeman, Arthur

    2000-03-01

    The FLAPW (full-potential linearized-augmented plane-wave) method is one of the most accurate first-principles methods for determining electronic and magnetic properties of crystals and surfaces. In the past the FLAPW method has been limited to systems of about a hundred atoms due to the lack of an efficient parallel implementation to exploit the power and memory of parallel computers. In this work we present an efficient parallelization of the method by division among the processors of the plane-wave components for each state. The code is also optimized for RISC (reduced instruction set computer) architectures, such as those found on most parallel computers, making full use of BLAS (basic linear algebra subprograms) wherever possible. Scaling results are presented for systems of up to 686 silicon atoms and 343 palladium atoms per unit cell running on up to 512 processors on a Cray T3E parallel supercomputer. Some results will also be presented on a comparison of the plane-wave pseudopotential method and the FLAPW method on large systems.

  16. Leapfrog variants of iterative methods for linear algebra equations

    NASA Technical Reports Server (NTRS)

    Saylor, Paul E.

    1988-01-01

    Two iterative methods are considered, Richardson's method and a general second order method. For both methods, a variant of the method is derived for which only even numbered iterates are computed. The variant is called a leapfrog method. Comparisons between the conventional form of the methods and the leapfrog form are made under the assumption that the number of unknowns is large. In the case of Richardson's method, it is possible to express the final iterate in terms of only the initial approximation, a variant of the iteration called the grand-leap method. In the case of the grand-leap variant, a set of parameters is required. An algorithm is presented to compute these parameters that is related to algorithms to compute the weights and abscissas for Gaussian quadrature. General algorithms to implement the leapfrog and grand-leap methods are presented. Algorithms for the important special case of the Chebyshev method are also given.

  17. METHODOLOGICAL NOTES: Computer viruses and methods of combatting them

    NASA Astrophysics Data System (ADS)

    Landsberg, G. L.

    1991-02-01

    This article examines the current virus situation for personal computers and time-sharing computers. Basic methods of combatting viruses are presented. Specific recommendations are given to eliminate the most widespread viruses. A short description is given of a universal antiviral system, PHENIX, which has been developed.

  18. Computer Human Interaction for Image Information Systems.

    ERIC Educational Resources Information Center

    Beard, David Volk

    1991-01-01

    Presents an approach to developing viable image computer-human interactions (CHI) involving user metaphors for comprehending image data and methods for locating, accessing, and displaying computer images. A medical-image radiology workstation application is used as an example, and feedback and evaluation methods are discussed. (41 references) (LRW)

  19. A Computational Procedure for Identifying Bilinear Representations of Nonlinear Systems Using Volterra Kernels

    NASA Technical Reports Server (NTRS)

    Kvaternik, Raymond G.; Silva, Walter A.

    2008-01-01

    A computational procedure for identifying the state-space matrices corresponding to discrete bilinear representations of nonlinear systems is presented. A key feature of the method is the use of first- and second-order Volterra kernels (first- and second-order pulse responses) to characterize the system. The present method is based on an extension of a continuous-time bilinear system identification procedure given in a 1971 paper by Bruni, di Pillo, and Koch. The analytical and computational considerations that underlie the original procedure and its extension to the title problem are presented and described, pertinent numerical considerations associated with the process are discussed, and results obtained from the application of the method to a variety of nonlinear problems from the literature are presented. The results of these exploratory numerical studies are decidedly promising and provide sufficient credibility for further examination of the applicability of the method.

  20. Calculation of the Poisson cumulative distribution function

    NASA Technical Reports Server (NTRS)

    Bowerman, Paul N.; Nolty, Robert G.; Scheuer, Ernest M.

    1990-01-01

    A method for calculating the Poisson cdf (cumulative distribution function) is presented. The method avoids computer underflow and overflow during the process. The computer program uses this technique to calculate the Poisson cdf for arbitrary inputs. An algorithm that determines the Poisson parameter required to yield a specified value of the cdf is presented.

  1. Data Processing: Fifteen Suggestions for Computer Training in Your Business Education Classes.

    ERIC Educational Resources Information Center

    Barr, Lowell L.

    1980-01-01

    Presents 15 suggestions for training business education students in the use of computers. Suggestions involve computer language, method of presentation, laboratory time, programing assignments, instructions and handouts, problem solving, deadlines, reviews, programming concepts, programming logic, documentation, and defensive programming. (CT)

  2. PREFACE: New trends in Computer Simulations in Physics and not only in physics

    NASA Astrophysics Data System (ADS)

    Shchur, Lev N.; Krashakov, Serge A.

    2016-02-01

    In this volume we have collected papers based on the presentations given at the International Conference on Computer Simulations in Physics and beyond (CSP2015), held in Moscow, September 6-10, 2015. We hope that this volume will be helpful and scientifically interesting for readers. The Conference was organized for the first time with the common efforts of the Moscow Institute for Electronics and Mathematics (MIEM) of the National Research University Higher School of Economics, the Landau Institute for Theoretical Physics, and the Science Center in Chernogolovka. The name of the Conference emphasizes the multidisciplinary nature of computational physics. Its methods are applied to the broad range of current research in science and society. The choice of venue was motivated by the multidisciplinary character of the MIEM. It is a former independent university, which has recently become the part of the National Research University Higher School of Economics. The Conference Computer Simulations in Physics and beyond (CSP) is planned to be organized biannually. This year's Conference featured 99 presentations, including 21 plenary and invited talks ranging from the analysis of Irish myths with recent methods of statistical physics, to computing with novel quantum computers D-Wave and D-Wave2. This volume covers various areas of computational physics and emerging subjects within the computational physics community. Each section was preceded by invited talks presenting the latest algorithms and methods in computational physics, as well as new scientific results. Both parallel and poster sessions paid special attention to numerical methods, applications and results. For all the abstracts presented at the conference please follow the link http://csp2015.ac.ru/files/book5x.pdf

  3. Computer-generated graphical presentations: use of multimedia to enhance communication.

    PubMed

    Marks, L S; Penson, D F; Maller, J J; Nielsen, R T; deKernion, J B

    1997-01-01

    Personal computers may be used to create, store, and deliver graphical presentations. With computer-generated combinations of the five media (text, images, sound, video, and animation)--that is, multimedia presentations--the effectiveness of message delivery can be greatly increased. The basic tools are (1) a personal computer; (2) presentation software; and (3) a projector to enlarge the monitor images for audience viewing. Use of this new method has grown rapidly in the business-conference world, but has yet to gain widespread acceptance at medical meetings. We review herein the rationale for multimedia presentations in medicine (vis-à-vis traditional slide shows) as an improved means for increasing audience attention, comprehension, and retention. The evolution of multimedia is traced from earliest times to the present. The steps involved in making a multimedia presentation are summarized, emphasizing advances in technology that bring the new method within practical reach of busy physicians. Specific attention is given to software, digital image processing, storage devices, and delivery methods. Our development of a urology multimedia presentation--delivered May 4, 1996, before the Society for Urology and Engineering and now Internet-accessible at http://www.usrf.org--was the impetus for this work.

  4. Computational methods for global/local analysis

    NASA Technical Reports Server (NTRS)

    Ransom, Jonathan B.; Mccleary, Susan L.; Aminpour, Mohammad A.; Knight, Norman F., Jr.

    1992-01-01

    Computational methods for global/local analysis of structures which include both uncoupled and coupled methods are described. In addition, global/local analysis methodology for automatic refinement of incompatible global and local finite element models is developed. Representative structural analysis problems are presented to demonstrate the global/local analysis methods.

  5. Applications of computer-graphics animation for motion-perception research

    NASA Technical Reports Server (NTRS)

    Proffitt, D. R.; Kaiser, M. K.

    1986-01-01

    The advantages and limitations of using computer animated stimuli in studying motion perception are presented and discussed. Most current programs of motion perception research could not be pursued without the use of computer graphics animation. Computer generated displays afford latitudes of freedom and control that are almost impossible to attain through conventional methods. There are, however, limitations to this presentational medium. At present, computer generated displays present simplified approximations of the dynamics in natural events. Very little is known about how the differences between natural events and computer simulations influence perceptual processing. In practice, the differences are assumed to be irrelevant to the questions under study, and that findings with computer generated stimuli will generalize to natural events.

  6. Computation of the acoustic radiation force using the finite-difference time-domain method.

    PubMed

    Cai, Feiyan; Meng, Long; Jiang, Chunxiang; Pan, Yu; Zheng, Hairong

    2010-10-01

    The computational details related to calculating the acoustic radiation force on an object using a 2-D grid finite-difference time-domain method (FDTD) are presented. The method is based on propagating the stress and velocity fields through the grid and determining the energy flow with and without the object. The axial and radial acoustic radiation forces predicted by FDTD method are in excellent agreement with the results obtained by analytical evaluation of the scattering method. In particular, the results indicate that it is possible to trap the steel cylinder in the radial direction by optimizing the width of Gaussian source and the operation frequency. As the sizes of the relating objects are smaller than or comparable to wavelength, the algorithm presented here can be easily extended to 3-D and include torque computation algorithms, thus providing a highly flexible and universally usable computation engine.

  7. A thin-shock-layer solution for nonequilibrium, inviscid hypersonic flows in earth, Martian, and Venusian atmospheres

    NASA Technical Reports Server (NTRS)

    Grose, W. L.

    1971-01-01

    An approximate inverse solution is presented for the nonequilibrium flow in the inviscid shock layer about a vehicle in hypersonic flight. The method is based upon a thin-shock-layer approximation and has the advantage of being applicable to both subsonic and supersonic regions of the shock layer. The relative simplicity of the method makes it ideally suited for programming on a digital computer with a significant reduction in storage capacity and computing time required by other more exact methods. Comparison of nonequilibrium solutions for an air mixture obtained by the present method is made with solutions obtained by two other methods. Additional cases are presented for entry of spherical nose cones into representative Venusian and Martian atmospheres. A digital computer program written in FORTRAN language is presented that permits an arbitrary gas mixture to be employed in the solution. The effects of vibration, dissociation, recombination, electronic excitation, and ionization are included in the program.

  8. Rotational control of computer generated holograms.

    PubMed

    Preece, Daryl; Rubinsztein-Dunlop, Halina

    2017-11-15

    We develop a basis for three-dimensional rotation of arbitrary light fields created by computer generated holograms. By adding an extra phase function into the kinoform, any light field or holographic image can be tilted in the focal plane with minimized distortion. We present two different approaches to rotate an arbitrary hologram: the Scheimpflug method and a novel coordinate transformation method. Experimental results are presented to demonstrate the validity of both proposed methods.

  9. Computational composite mechanics for aerospace propulsion structures

    NASA Technical Reports Server (NTRS)

    Chamis, C. C.

    1986-01-01

    Specialty methods are presented for the computational simulation of specific composite behavior. These methods encompass all aspects of composite mechanics, impact, progressive fracture and component specific simulation. Some of these methods are structured to computationally simulate, in parallel, the composite behavior and history from the initial fabrication through several missions and even to fracture. Select methods and typical results obtained from such simulations are described in detail in order to demonstrate the effectiveness of computationally simulating (1) complex composite structural behavior in general and (2) specific aerospace propulsion structural components in particular.

  10. Computational composite mechanics for aerospace propulsion structures

    NASA Technical Reports Server (NTRS)

    Chamis, Christos C.

    1987-01-01

    Specialty methods are presented for the computational simulation of specific composite behavior. These methods encompass all aspects of composite mechanics, impact, progressive fracture and component specific simulation. Some of these methods are structured to computationally simulate, in parallel, the composite behavior and history from the initial frabrication through several missions and even to fracture. Select methods and typical results obtained from such simulations are described in detail in order to demonstrate the effectiveness of computationally simulating: (1) complex composite structural behavior in general, and (2) specific aerospace propulsion structural components in particular.

  11. Computer program for calculating supersonic flow about circular, elliptic, and bielliptic cones by the method of lines

    NASA Technical Reports Server (NTRS)

    Klunker, E. B.; South, J. C., Jr.; Davis, R. M.

    1972-01-01

    A user's manual for a computer program which calculates the supersonic flow about circular, elliptic, and bielliptic cones at incidence and elliptic cones at yaw by the method of lines is presented. The program is automated to compute a case from known or easily calculated solution by changing the parameters through a sequence of steps. It provides information including the shock shape, flow field, isentropic surface properties, entropy layer, and force coefficients. A description of the program operation, sample computations, and a FORTRAN 4 listing are presented.

  12. Parallelization of the FLAPW method

    NASA Astrophysics Data System (ADS)

    Canning, A.; Mannstadt, W.; Freeman, A. J.

    2000-08-01

    The FLAPW (full-potential linearized-augmented plane-wave) method is one of the most accurate first-principles methods for determining structural, electronic and magnetic properties of crystals and surfaces. Until the present work, the FLAPW method has been limited to systems of less than about a hundred atoms due to the lack of an efficient parallel implementation to exploit the power and memory of parallel computers. In this work, we present an efficient parallelization of the method by division among the processors of the plane-wave components for each state. The code is also optimized for RISC (reduced instruction set computer) architectures, such as those found on most parallel computers, making full use of BLAS (basic linear algebra subprograms) wherever possible. Scaling results are presented for systems of up to 686 silicon atoms and 343 palladium atoms per unit cell, running on up to 512 processors on a CRAY T3E parallel supercomputer.

  13. Implicit method for the computation of unsteady flows on unstructured grids

    NASA Technical Reports Server (NTRS)

    Venkatakrishnan, V.; Mavriplis, D. J.

    1995-01-01

    An implicit method for the computation of unsteady flows on unstructured grids is presented. Following a finite difference approximation for the time derivative, the resulting nonlinear system of equations is solved at each time step by using an agglomeration multigrid procedure. The method allows for arbitrarily large time steps and is efficient in terms of computational effort and storage. Inviscid and viscous unsteady flows are computed to validate the procedure. The issue of the mass matrix which arises with vertex-centered finite volume schemes is addressed. The present formulation allows the mass matrix to be inverted indirectly. A mesh point movement and reconnection procedure is described that allows the grids to evolve with the motion of bodies. As an example of flow over bodies in relative motion, flow over a multi-element airfoil system undergoing deployment is computed.

  14. Algorithms for Efficient Computation of Transfer Functions for Large Order Flexible Systems

    NASA Technical Reports Server (NTRS)

    Maghami, Peiman G.; Giesy, Daniel P.

    1998-01-01

    An efficient and robust computational scheme is given for the calculation of the frequency response function of a large order, flexible system implemented with a linear, time invariant control system. Advantage is taken of the highly structured sparsity of the system matrix of the plant based on a model of the structure using normal mode coordinates. The computational time per frequency point of the new computational scheme is a linear function of system size, a significant improvement over traditional, still-matrix techniques whose computational times per frequency point range from quadratic to cubic functions of system size. This permits the practical frequency domain analysis of systems of much larger order than by traditional, full-matrix techniques. Formulations are given for both open- and closed-loop systems. Numerical examples are presented showing the advantages of the present formulation over traditional approaches, both in speed and in accuracy. Using a model with 703 structural modes, the present method was up to two orders of magnitude faster than a traditional method. The present method generally showed good to excellent accuracy throughout the range of test frequencies, while traditional methods gave adequate accuracy for lower frequencies, but generally deteriorated in performance at higher frequencies with worst case errors being many orders of magnitude times the correct values.

  15. Computation of entropy and Lyapunov exponent by a shift transform.

    PubMed

    Matsuoka, Chihiro; Hiraide, Koichi

    2015-10-01

    We present a novel computational method to estimate the topological entropy and Lyapunov exponent of nonlinear maps using a shift transform. Unlike the computation of periodic orbits or the symbolic dynamical approach by the Markov partition, the method presented here does not require any special techniques in computational and mathematical fields to calculate these quantities. In spite of its simplicity, our method can accurately capture not only the chaotic region but also the non-chaotic region (window region) such that it is important physically but the (Lebesgue) measure zero and usually hard to calculate or observe. Furthermore, it is shown that the Kolmogorov-Sinai entropy of the Sinai-Ruelle-Bowen measure (the physical measure) coincides with the topological entropy.

  16. Computation of entropy and Lyapunov exponent by a shift transform

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

    Matsuoka, Chihiro, E-mail: matsuoka.chihiro.mm@ehime-u.ac.jp; Hiraide, Koichi

    2015-10-15

    We present a novel computational method to estimate the topological entropy and Lyapunov exponent of nonlinear maps using a shift transform. Unlike the computation of periodic orbits or the symbolic dynamical approach by the Markov partition, the method presented here does not require any special techniques in computational and mathematical fields to calculate these quantities. In spite of its simplicity, our method can accurately capture not only the chaotic region but also the non-chaotic region (window region) such that it is important physically but the (Lebesgue) measure zero and usually hard to calculate or observe. Furthermore, it is shown thatmore » the Kolmogorov-Sinai entropy of the Sinai-Ruelle-Bowen measure (the physical measure) coincides with the topological entropy.« less

  17. Hybrid massively parallel fast sweeping method for static Hamilton-Jacobi equations

    NASA Astrophysics Data System (ADS)

    Detrixhe, Miles; Gibou, Frédéric

    2016-10-01

    The fast sweeping method is a popular algorithm for solving a variety of static Hamilton-Jacobi equations. Fast sweeping algorithms for parallel computing have been developed, but are severely limited. In this work, we present a multilevel, hybrid parallel algorithm that combines the desirable traits of two distinct parallel methods. The fine and coarse grained components of the algorithm take advantage of heterogeneous computer architecture common in high performance computing facilities. We present the algorithm and demonstrate its effectiveness on a set of example problems including optimal control, dynamic games, and seismic wave propagation. We give results for convergence, parallel scaling, and show state-of-the-art speedup values for the fast sweeping method.

  18. Solution of partial differential equations on vector and parallel computers

    NASA Technical Reports Server (NTRS)

    Ortega, J. M.; Voigt, R. G.

    1985-01-01

    The present status of numerical methods for partial differential equations on vector and parallel computers was reviewed. The relevant aspects of these computers are discussed and a brief review of their development is included, with particular attention paid to those characteristics that influence algorithm selection. Both direct and iterative methods are given for elliptic equations as well as explicit and implicit methods for initial boundary value problems. The intent is to point out attractive methods as well as areas where this class of computer architecture cannot be fully utilized because of either hardware restrictions or the lack of adequate algorithms. Application areas utilizing these computers are briefly discussed.

  19. Variability in Reading Ability Gains as a Function of Computer-Assisted Instruction Method of Presentation

    ERIC Educational Resources Information Center

    Johnson, Erin Phinney; Perry, Justin; Shamir, Haya

    2010-01-01

    This study examines the effects on early reading skills of three different methods of presenting material with computer-assisted instruction (CAI): (1) learner-controlled picture menu, which allows the student to choose activities, (2) linear sequencer, which progresses the students through lessons at a pre-specified pace, and (3) mastery-based…

  20. Parallel algorithms for computation of the manipulator inertia matrix

    NASA Technical Reports Server (NTRS)

    Amin-Javaheri, Masoud; Orin, David E.

    1989-01-01

    The development of an O(log2N) parallel algorithm for the manipulator inertia matrix is presented. It is based on the most efficient serial algorithm which uses the composite rigid body method. Recursive doubling is used to reformulate the linear recurrence equations which are required to compute the diagonal elements of the matrix. It results in O(log2N) levels of computation. Computation of the off-diagonal elements involves N linear recurrences of varying-size and a new method, which avoids redundant computation of position and orientation transforms for the manipulator, is developed. The O(log2N) algorithm is presented in both equation and graphic forms which clearly show the parallelism inherent in the algorithm.

  1. [Economic efficiency of computer monitoring of health].

    PubMed

    Il'icheva, N P; Stazhadze, L L

    2001-01-01

    Presents the method of computer monitoring of health, based on utilization of modern information technologies in public health. The method helps organize preventive activities of an outpatient clinic at a high level and essentially decrease the time and money loss. Efficiency of such preventive measures, increased number of computer and Internet users suggests that such methods are promising and further studies in this field are needed.

  2. Efficient method for computing the electronic transport properties of a multiterminal system

    NASA Astrophysics Data System (ADS)

    Lima, Leandro R. F.; Dusko, Amintor; Lewenkopf, Caio

    2018-04-01

    We present a multiprobe recursive Green's function method to compute the transport properties of mesoscopic systems using the Landauer-Büttiker approach. By introducing an adaptive partition scheme, we map the multiprobe problem into the standard two-probe recursive Green's function method. We apply the method to compute the longitudinal and Hall resistances of a disordered graphene sample, a system of current interest. We show that the performance and accuracy of our method compares very well with other state-of-the-art schemes.

  3. Thermal radiation view factor: Methods, accuracy and computer-aided procedures

    NASA Technical Reports Server (NTRS)

    Kadaba, P. V.

    1982-01-01

    The computer aided thermal analysis programs which predicts the result of predetermined acceptable temperature range prior to stationing of these orbiting equipment in various attitudes with respect to the Sun and the Earth was examined. Complexity of the surface geometries suggests the use of numerical schemes for the determination of these viewfactors. Basic definitions and standard methods which form the basis for various digital computer methods and various numerical methods are presented. The physical model and the mathematical methods on which a number of available programs are built are summarized. The strength and the weaknesses of the methods employed, the accuracy of the calculations and the time required for computations are evaluated. The situations where accuracies are important for energy calculations are identified and methods to save computational times are proposed. Guide to best use of the available programs at several centers and the future choices for efficient use of digital computers are included in the recommendations.

  4. Fair and Square Computation of Inverse "Z"-Transforms of Rational Functions

    ERIC Educational Resources Information Center

    Moreira, M. V.; Basilio, J. C.

    2012-01-01

    All methods presented in textbooks for computing inverse "Z"-transforms of rational functions have some limitation: 1) the direct division method does not, in general, provide enough information to derive an analytical expression for the time-domain sequence "x"("k") whose "Z"-transform is "X"("z"); 2) computation using the inversion integral…

  5. Physical Principle for Generation of Randomness

    NASA Technical Reports Server (NTRS)

    Zak, Michail

    2009-01-01

    A physical principle (more precisely, a principle that incorporates mathematical models used in physics) has been conceived as the basis of a method of generating randomness in Monte Carlo simulations. The principle eliminates the need for conventional random-number generators. The Monte Carlo simulation method is among the most powerful computational methods for solving high-dimensional problems in physics, chemistry, economics, and information processing. The Monte Carlo simulation method is especially effective for solving problems in which computational complexity increases exponentially with dimensionality. The main advantage of the Monte Carlo simulation method over other methods is that the demand on computational resources becomes independent of dimensionality. As augmented by the present principle, the Monte Carlo simulation method becomes an even more powerful computational method that is especially useful for solving problems associated with dynamics of fluids, planning, scheduling, and combinatorial optimization. The present principle is based on coupling of dynamical equations with the corresponding Liouville equation. The randomness is generated by non-Lipschitz instability of dynamics triggered and controlled by feedback from the Liouville equation. (In non-Lipschitz dynamics, the derivatives of solutions of the dynamical equations are not required to be bounded.)

  6. The Distributed Diagonal Force Decomposition Method for Parallelizing Molecular Dynamics Simulations

    PubMed Central

    Boršnik, Urban; Miller, Benjamin T.; Brooks, Bernard R.; Janežič, Dušanka

    2011-01-01

    Parallelization is an effective way to reduce the computational time needed for molecular dynamics simulations. We describe a new parallelization method, the distributed-diagonal force decomposition method, with which we extend and improve the existing force decomposition methods. Our new method requires less data communication during molecular dynamics simulations than replicated data and current force decomposition methods, increasing the parallel efficiency. It also dynamically load-balances the processors' computational load throughout the simulation. The method is readily implemented in existing molecular dynamics codes and it has been incorporated into the CHARMM program, allowing its immediate use in conjunction with the many molecular dynamics simulation techniques that are already present in the program. We also present the design of the Force Decomposition Machine, a cluster of personal computers and networks that is tailored to running molecular dynamics simulations using the distributed diagonal force decomposition method. The design is expandable and provides various degrees of fault resilience. This approach is easily adaptable to computers with Graphics Processing Units because it is independent of the processor type being used. PMID:21793007

  7. A Method for Evaluation of Microcomputers for Tactical Applications.

    DTIC Science & Technology

    1980-06-01

    application. The computational requirements of a tactical application are specified in terms of performance parameters. The presently marketed microcomputer...computational requirements of a tactical application are specified in terms of performance parameters. The presently marketed microcomputer and multi...also to provide a method to evaluate microcomputer systems for tactical applications, i.e., Command Control Communications (C 3), weapon systems, etc

  8. Integrating aerodynamic surface modeling for computational fluid dynamics with computer aided structural analysis, design, and manufacturing

    NASA Technical Reports Server (NTRS)

    Thorp, Scott A.

    1992-01-01

    This presentation will discuss the development of a NASA Geometry Exchange Specification for transferring aerodynamic surface geometry between LeRC systems and grid generation software used for computational fluid dynamics research. The proposed specification is based on a subset of the Initial Graphics Exchange Specification (IGES). The presentation will include discussion of how the NASA-IGES standard will accommodate improved computer aided design inspection methods and reverse engineering techniques currently being developed. The presentation is in viewgraph format.

  9. An efficient method for hybrid density functional calculation with spin-orbit coupling

    NASA Astrophysics Data System (ADS)

    Wang, Maoyuan; Liu, Gui-Bin; Guo, Hong; Yao, Yugui

    2018-03-01

    In first-principles calculations, hybrid functional is often used to improve accuracy from local exchange correlation functionals. A drawback is that evaluating the hybrid functional needs significantly more computing effort. When spin-orbit coupling (SOC) is taken into account, the non-collinear spin structure increases computing effort by at least eight times. As a result, hybrid functional calculations with SOC are intractable in most cases. In this paper, we present an approximate solution to this problem by developing an efficient method based on a mixed linear combination of atomic orbital (LCAO) scheme. We demonstrate the power of this method using several examples and we show that the results compare very well with those of direct hybrid functional calculations with SOC, yet the method only requires a computing effort similar to that without SOC. The presented technique provides a good balance between computing efficiency and accuracy, and it can be extended to magnetic materials.

  10. Nonrecursive formulations of multibody dynamics and concurrent multiprocessing

    NASA Technical Reports Server (NTRS)

    Kurdila, Andrew J.; Menon, Ramesh

    1993-01-01

    Since the late 1980's, research in recursive formulations of multibody dynamics has flourished. Historically, much of this research can be traced to applications of low dimensionality in mechanism and vehicle dynamics. Indeed, there is little doubt that recursive order N methods are the method of choice for this class of systems. This approach has the advantage that a minimal number of coordinates are utilized, parallelism can be induced for certain system topologies, and the method is of order N computational cost for systems of N rigid bodies. Despite the fact that many authors have dismissed redundant coordinate formulations as being of order N(exp 3), and hence less attractive than recursive formulations, we present recent research that demonstrates that at least three distinct classes of redundant, nonrecursive multibody formulations consistently achieve order N computational cost for systems of rigid and/or flexible bodies. These formulations are as follows: (1) the preconditioned range space formulation; (2) penalty methods; and (3) augmented Lagrangian methods for nonlinear multibody dynamics. The first method can be traced to its foundation in equality constrained quadratic optimization, while the last two methods have been studied extensively in the context of coercive variational boundary value problems in computational mechanics. Until recently, however, they have not been investigated in the context of multibody simulation, and present theoretical questions unique to nonlinear dynamics. All of these nonrecursive methods have additional advantages with respect to recursive order N methods: (1) the formalisms retain the highly desirable order N computational cost; (2) the techniques are amenable to concurrent simulation strategies; (3) the approaches do not depend upon system topology to induce concurrency; and (4) the methods can be derived to balance the computational load automatically on concurrent multiprocessors. In addition to the presentation of the fundamental formulations, this paper presents new theoretical results regarding the rate of convergence of order N constraint stabilization schemes associated with the newly introduced class of methods.

  11. The method of complex characteristics for design of transonic blade sections

    NASA Technical Reports Server (NTRS)

    Bledsoe, M. R.

    1986-01-01

    A variety of computational methods were developed to obtain shockless or near shockless flow past two-dimensional airfoils. The approach used was the method of complex characteristics, which determines smooth solutions to the transonic flow equations based on an input speed distribution. General results from fluid mechanics are presented. An account of the method of complex characteristics is given including a description of the particular spaces and coordinates, conformal transformations, and numerical procedures that are used. The operation of the computer program COMPRES is presented along with examples of blade sections designed with the code. A user manual is included with a glossary to provide additional information which may be helpful. The computer program in Fortran, including numerous comment cards is listed.

  12. Hybrid massively parallel fast sweeping method for static Hamilton–Jacobi equations

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

    Detrixhe, Miles, E-mail: mdetrixhe@engineering.ucsb.edu; University of California Santa Barbara, Santa Barbara, CA, 93106; Gibou, Frédéric, E-mail: fgibou@engineering.ucsb.edu

    The fast sweeping method is a popular algorithm for solving a variety of static Hamilton–Jacobi equations. Fast sweeping algorithms for parallel computing have been developed, but are severely limited. In this work, we present a multilevel, hybrid parallel algorithm that combines the desirable traits of two distinct parallel methods. The fine and coarse grained components of the algorithm take advantage of heterogeneous computer architecture common in high performance computing facilities. We present the algorithm and demonstrate its effectiveness on a set of example problems including optimal control, dynamic games, and seismic wave propagation. We give results for convergence, parallel scaling,more » and show state-of-the-art speedup values for the fast sweeping method.« less

  13. A variational multiscale method for particle-cloud tracking in turbomachinery flows

    NASA Astrophysics Data System (ADS)

    Corsini, A.; Rispoli, F.; Sheard, A. G.; Takizawa, K.; Tezduyar, T. E.; Venturini, P.

    2014-11-01

    We present a computational method for simulation of particle-laden flows in turbomachinery. The method is based on a stabilized finite element fluid mechanics formulation and a finite element particle-cloud tracking method. We focus on induced-draft fans used in process industries to extract exhaust gases in the form of a two-phase fluid with a dispersed solid phase. The particle-laden flow causes material wear on the fan blades, degrading their aerodynamic performance, and therefore accurate simulation of the flow would be essential in reliable computational turbomachinery analysis and design. The turbulent-flow nature of the problem is dealt with a Reynolds-Averaged Navier-Stokes model and Streamline-Upwind/Petrov-Galerkin/Pressure-Stabilizing/Petrov-Galerkin stabilization, the particle-cloud trajectories are calculated based on the flow field and closure models for the turbulence-particle interaction, and one-way dependence is assumed between the flow field and particle dynamics. We propose a closure model utilizing the scale separation feature of the variational multiscale method, and compare that to the closure utilizing the eddy viscosity model. We present computations for axial- and centrifugal-fan configurations, and compare the computed data to those obtained from experiments, analytical approaches, and other computational methods.

  14. Rapid high performance liquid chromatography method development with high prediction accuracy, using 5cm long narrow bore columns packed with sub-2microm particles and Design Space computer modeling.

    PubMed

    Fekete, Szabolcs; Fekete, Jeno; Molnár, Imre; Ganzler, Katalin

    2009-11-06

    Many different strategies of reversed phase high performance liquid chromatographic (RP-HPLC) method development are used today. This paper describes a strategy for the systematic development of ultrahigh-pressure liquid chromatographic (UHPLC or UPLC) methods using 5cmx2.1mm columns packed with sub-2microm particles and computer simulation (DryLab((R)) package). Data for the accuracy of computer modeling in the Design Space under ultrahigh-pressure conditions are reported. An acceptable accuracy for these predictions of the computer models is presented. This work illustrates a method development strategy, focusing on time reduction up to a factor 3-5, compared to the conventional HPLC method development and exhibits parts of the Design Space elaboration as requested by the FDA and ICH Q8R1. Furthermore this paper demonstrates the accuracy of retention time prediction at elevated pressure (enhanced flow-rate) and shows that the computer-assisted simulation can be applied with sufficient precision for UHPLC applications (p>400bar). Examples of fast and effective method development in pharmaceutical analysis, both for gradient and isocratic separations are presented.

  15. Large-scale structural analysis: The structural analyst, the CSM Testbed and the NAS System

    NASA Technical Reports Server (NTRS)

    Knight, Norman F., Jr.; Mccleary, Susan L.; Macy, Steven C.; Aminpour, Mohammad A.

    1989-01-01

    The Computational Structural Mechanics (CSM) activity is developing advanced structural analysis and computational methods that exploit high-performance computers. Methods are developed in the framework of the CSM testbed software system and applied to representative complex structural analysis problems from the aerospace industry. An overview of the CSM testbed methods development environment is presented and some numerical methods developed on a CRAY-2 are described. Selected application studies performed on the NAS CRAY-2 are also summarized.

  16. Hodge numbers for all CICY quotients

    NASA Astrophysics Data System (ADS)

    Constantin, Andrei; Gray, James; Lukas, Andre

    2017-01-01

    We present a general method for computing Hodge numbers for Calabi-Yau manifolds realised as discrete quotients of complete intersections in products of projective spaces. The method relies on the computation of equivariant cohomologies and is illustrated for several explicit examples. In this way, we compute the Hodge numbers for all discrete quotients obtained in Braun's classification [1].

  17. Methodical and technological aspects of creation of interactive computer learning systems

    NASA Astrophysics Data System (ADS)

    Vishtak, N. M.; Frolov, D. A.

    2017-01-01

    The article presents a methodology for the development of an interactive computer training system for training power plant. The methods used in the work are a generalization of the content of scientific and methodological sources on the use of computer-based training systems in vocational education, methods of system analysis, methods of structural and object-oriented modeling of information systems. The relevance of the development of the interactive computer training systems in the preparation of the personnel in the conditions of the educational and training centers is proved. Development stages of the computer training systems are allocated, factors of efficient use of the interactive computer training system are analysed. The algorithm of work performance at each development stage of the interactive computer training system that enables one to optimize time, financial and labor expenditure on the creation of the interactive computer training system is offered.

  18. Computation of Symmetric Discrete Cosine Transform Using Bakhvalov's Algorithm

    NASA Technical Reports Server (NTRS)

    Aburdene, Maurice F.; Strojny, Brian C.; Dorband, John E.

    2005-01-01

    A number of algorithms for recursive computation of the discrete cosine transform (DCT) have been developed recently. This paper presents a new method for computing the discrete cosine transform and its inverse using Bakhvalov's algorithm, a method developed for evaluation of a polynomial at a point. In this paper, we will focus on both the application of the algorithm to the computation of the DCT-I and its complexity. In addition, Bakhvalov s algorithm is compared with Clenshaw s algorithm for the computation of the DCT.

  19. A Method for Transferring Photoelectric Photometry Data from Apple II+ to IBM PC

    NASA Astrophysics Data System (ADS)

    Powell, Harry D.; Miller, James R.; Stephenson, Kipp

    1989-06-01

    A method is presented for transferring photoelectric photometry data files from an Apple II computer to an IBM PC computer in a form which is compatible with the AAVSO Photoelectric Photometry data collection process.

  20. Computation-aware algorithm selection approach for interlaced-to-progressive conversion

    NASA Astrophysics Data System (ADS)

    Park, Sang-Jun; Jeon, Gwanggil; Jeong, Jechang

    2010-05-01

    We discuss deinterlacing results in a computationally constrained and varied environment. The proposed computation-aware algorithm selection approach (CASA) for fast interlaced to progressive conversion algorithm consists of three methods: the line-averaging (LA) method for plain regions, the modified edge-based line-averaging (MELA) method for medium regions, and the proposed covariance-based adaptive deinterlacing (CAD) method for complex regions. The proposed CASA uses two criteria, mean-squared error (MSE) and CPU time, for assigning the method. We proposed a CAD method. The principle idea of CAD is based on the correspondence between the high and low-resolution covariances. We estimated the local covariance coefficients from an interlaced image using Wiener filtering theory and then used these optimal minimum MSE interpolation coefficients to obtain a deinterlaced image. The CAD method, though more robust than most known methods, was not found to be very fast compared to the others. To alleviate this issue, we proposed an adaptive selection approach using a fast deinterlacing algorithm rather than using only one CAD algorithm. The proposed hybrid approach of switching between the conventional schemes (LA and MELA) and our CAD was proposed to reduce the overall computational load. A reliable condition to be used for switching the schemes was presented after a wide set of initial training processes. The results of computer simulations showed that the proposed methods outperformed a number of methods presented in the literature.

  1. Computer-aided drug discovery.

    PubMed

    Bajorath, Jürgen

    2015-01-01

    Computational approaches are an integral part of interdisciplinary drug discovery research. Understanding the science behind computational tools, their opportunities, and limitations is essential to make a true impact on drug discovery at different levels. If applied in a scientifically meaningful way, computational methods improve the ability to identify and evaluate potential drug molecules, but there remain weaknesses in the methods that preclude naïve applications. Herein, current trends in computer-aided drug discovery are reviewed, and selected computational areas are discussed. Approaches are highlighted that aid in the identification and optimization of new drug candidates. Emphasis is put on the presentation and discussion of computational concepts and methods, rather than case studies or application examples. As such, this contribution aims to provide an overview of the current methodological spectrum of computational drug discovery for a broad audience.

  2. A method for modeling finite-core vortices in wake-flow calculations

    NASA Technical Reports Server (NTRS)

    Stremel, P. M.

    1984-01-01

    A numerical method for computing nonplanar vortex wakes represented by finite-core vortices is presented. The approach solves for the velocity on an Eulerian grid, using standard finite-difference techniques; the vortex wake is tracked by Lagrangian methods. In this method, the distribution of continuous vorticity in the wake is replaced by a group of discrete vortices. An axially symmetric distribution of vorticity about the center of each discrete vortex is used to represent the finite-core model. Two distributions of vorticity, or core models, are investigated: a finite distribution of vorticity represented by a third-order polynomial, and a continuous distribution of vorticity throughout the wake. The method provides for a vortex-core model that is insensitive to the mesh spacing. Results for a simplified case are presented. Computed results for the roll-up of a vortex wake generated by wings with different spanwise load distributions are presented; contour plots of the flow-field velocities are included; and comparisons are made of the computed flow-field velocities with experimentally measured velocities.

  3. Computing Quantitative Characteristics of Finite-State Real-Time Systems

    DTIC Science & Technology

    1994-05-04

    Current methods for verifying real - time systems are essentially decision procedures that establish whether the system model satisfies a given...specification. We present a general method for computing quantitative information about finite-state real - time systems . We have developed algorithms that...our technique can be extended to a more general representation of real - time systems , namely, timed transition graphs. The algorithms presented in this

  4. Computational simulation of progressive fracture in fiber composites

    NASA Technical Reports Server (NTRS)

    Chamis, C. C.

    1986-01-01

    Computational methods for simulating and predicting progressive fracture in fiber composite structures are presented. These methods are integrated into a computer code of modular form. The modules include composite mechanics, finite element analysis, and fracture criteria. The code is used to computationally simulate progressive fracture in composite laminates with and without defects. The simulation tracks the fracture progression in terms of modes initiating fracture, damage growth, and imminent global (catastrophic) laminate fracture.

  5. A Modeling and Data Analysis of Laser Beam Propagation in the Maritime Domain

    DTIC Science & Technology

    2015-05-18

    approach to computing pdfs is the Kernel Density Method (Reference [9] has an intro - duction to the method), which we will apply to compute the pdf of our...The project has two parts to it: 1) we present a computational analysis of different probability density function approximation techniques; and 2) we... computational analysis of different probability density function approximation techniques; and 2) we introduce preliminary steps towards developing a

  6. Computational Physics.

    ERIC Educational Resources Information Center

    Borcherds, P. H.

    1986-01-01

    Describes an optional course in "computational physics" offered at the University of Birmingham. Includes an introduction to numerical methods and presents exercises involving fast-Fourier transforms, non-linear least-squares, Monte Carlo methods, and the three-body problem. Recommends adding laboratory work into the course in the…

  7. Human-computer interface

    DOEpatents

    Anderson, Thomas G.

    2004-12-21

    The present invention provides a method of human-computer interfacing. Force feedback allows intuitive navigation and control near a boundary between regions in a computer-represented space. For example, the method allows a user to interact with a virtual craft, then push through the windshield of the craft to interact with the virtual world surrounding the craft. As another example, the method allows a user to feel transitions between different control domains of a computer representation of a space. The method can provide for force feedback that increases as a user's locus of interaction moves near a boundary, then perceptibly changes (e.g., abruptly drops or changes direction) when the boundary is traversed.

  8. Streamline similarity method for flow distributions and shock losses at the impeller inlet of the centrifugal pump

    NASA Astrophysics Data System (ADS)

    Zhang, Zh.

    2018-02-01

    An analytical method is presented, which enables the non-uniform velocity and pressure distributions at the impeller inlet of a pump to be accurately computed. The analyses are based on the potential flow theory and the geometrical similarity of the streamline distribution along the leading edge of the impeller blades. The method is thus called streamline similarity method (SSM). The obtained geometrical form of the flow distribution is then simply described by the geometrical variable G( s) and the first structural constant G I . As clearly demonstrated and also validated by experiments, both the flow velocity and the pressure distributions at the impeller inlet are usually highly non-uniform. This knowledge is indispensible for impeller blade designs to fulfill the shockless inlet flow condition. By introducing the second structural constant G II , the paper also presents the simple and accurate computation of the shock loss, which occurs at the impeller inlet. The introduction of two structural constants contributes immensely to the enhancement of the computational accuracies. As further indicated, all computations presented in this paper can also be well applied to the non-uniform exit flow out of an impeller of the Francis turbine for accurately computing the related mean values.

  9. A general method for computing the total solar radiation force on complex spacecraft structures

    NASA Technical Reports Server (NTRS)

    Chan, F. K.

    1981-01-01

    The method circumvents many of the existing difficulties in computational logic presently encountered in the direct analytical or numerical evaluation of the appropriate surface integral. It may be applied to complex spacecraft structures for computing the total force arising from either specular or diffuse reflection or even from non-Lambertian reflection and re-radiation.

  10. GRUMFOIL: A computer code for the viscous transonic flow over airfoils

    NASA Technical Reports Server (NTRS)

    Mead, H. R.; Melnik, R. E.

    1985-01-01

    A user's manual which describes the operation of the computer program, GRUMFOIL is presented. The program computes the viscous transonic flow over two dimensional airfoils using a boundary layer type viscid-inviscid interaction approach. The inviscid solution is obtained by a multigrid method for the full potential equation. The boundary layer solution is based on integral entrainment methods.

  11. Adaptive finite element methods for two-dimensional problems in computational fracture mechanics

    NASA Technical Reports Server (NTRS)

    Min, J. B.; Bass, J. M.; Spradley, L. W.

    1994-01-01

    Some recent results obtained using solution-adaptive finite element methods in two-dimensional problems in linear elastic fracture mechanics are presented. The focus is on the basic issue of adaptive finite element methods for validating the new methodology by computing demonstration problems and comparing the stress intensity factors to analytical results.

  12. New Computational Methods for the Prediction and Analysis of Helicopter Noise

    NASA Technical Reports Server (NTRS)

    Strawn, Roger C.; Oliker, Leonid; Biswas, Rupak

    1996-01-01

    This paper describes several new methods to predict and analyze rotorcraft noise. These methods are: 1) a combined computational fluid dynamics and Kirchhoff scheme for far-field noise predictions, 2) parallel computer implementation of the Kirchhoff integrations, 3) audio and visual rendering of the computed acoustic predictions over large far-field regions, and 4) acoustic tracebacks to the Kirchhoff surface to pinpoint the sources of the rotor noise. The paper describes each method and presents sample results for three test cases. The first case consists of in-plane high-speed impulsive noise and the other two cases show idealized parallel and oblique blade-vortex interactions. The computed results show good agreement with available experimental data but convey much more information about the far-field noise propagation. When taken together, these new analysis methods exploit the power of new computer technologies and offer the potential to significantly improve our prediction and understanding of rotorcraft noise.

  13. Survey of engineering computational methods and experimental programs for estimating supersonic missile aerodynamic characteristics

    NASA Technical Reports Server (NTRS)

    Sawyer, W. C.; Allen, J. M.; Hernandez, G.; Dillenius, M. F. E.; Hemsch, M. J.

    1982-01-01

    This paper presents a survey of engineering computational methods and experimental programs used for estimating the aerodynamic characteristics of missile configurations. Emphasis is placed on those methods which are suitable for preliminary design of conventional and advanced concepts. An analysis of the technical approaches of the various methods is made in order to assess their suitability to estimate longitudinal and/or lateral-directional characteristics for different classes of missile configurations. Some comparisons between the predicted characteristics and experimental data are presented. These comparisons are made for a large variation in flow conditions and model attitude parameters. The paper also presents known experimental research programs developed for the specific purpose of validating analytical methods and extending the capability of data-base programs.

  14. Visualization assisted by parallel processing

    NASA Astrophysics Data System (ADS)

    Lange, B.; Rey, H.; Vasques, X.; Puech, W.; Rodriguez, N.

    2011-01-01

    This paper discusses the experimental results of our visualization model for data extracted from sensors. The objective of this paper is to find a computationally efficient method to produce a real time rendering visualization for a large amount of data. We develop visualization method to monitor temperature variance of a data center. Sensors are placed on three layers and do not cover all the room. We use particle paradigm to interpolate data sensors. Particles model the "space" of the room. In this work we use a partition of the particle set, using two mathematical methods: Delaunay triangulation and Voronoý cells. Avis and Bhattacharya present these two algorithms in. Particles provide information on the room temperature at different coordinates over time. To locate and update particles data we define a computational cost function. To solve this function in an efficient way, we use a client server paradigm. Server computes data and client display this data on different kind of hardware. This paper is organized as follows. The first part presents related algorithm used to visualize large flow of data. The second part presents different platforms and methods used, which was evaluated in order to determine the better solution for the task proposed. The benchmark use the computational cost of our algorithm that formed based on located particles compared to sensors and on update of particles value. The benchmark was done on a personal computer using CPU, multi core programming, GPU programming and hybrid GPU/CPU. GPU programming method is growing in the research field; this method allows getting a real time rendering instates of a precompute rendering. For improving our results, we compute our algorithm on a High Performance Computing (HPC), this benchmark was used to improve multi-core method. HPC is commonly used in data visualization (astronomy, physic, etc) for improving the rendering and getting real-time.

  15. Human Inspired Self-developmental Model of Neural Network (HIM): Introducing Content/Form Computing

    NASA Astrophysics Data System (ADS)

    Krajíček, Jiří

    This paper presents cross-disciplinary research between medical/psychological evidence on human abilities and informatics needs to update current models in computer science to support alternative methods for computation and communication. In [10] we have already proposed hypothesis introducing concept of human information model (HIM) as cooperative system. Here we continue on HIM design in detail. In our design, first we introduce Content/Form computing system which is new principle of present methods in evolutionary computing (genetic algorithms, genetic programming). Then we apply this system on HIM (type of artificial neural network) model as basic network self-developmental paradigm. Main inspiration of our natural/human design comes from well known concept of artificial neural networks, medical/psychological evidence and Sheldrake theory of "Nature as Alive" [22].

  16. Efficient modeling of interconnects and capacitive discontinuities in high-speed digital circuits. Thesis

    NASA Technical Reports Server (NTRS)

    Oh, K. S.; Schutt-Aine, J.

    1995-01-01

    Modeling of interconnects and associated discontinuities with the recent advances high-speed digital circuits has gained a considerable interest over the last decade although the theoretical bases for analyzing these structures were well-established as early as the 1960s. Ongoing research at the present time is focused on devising methods which can be applied to more general geometries than the ones considered in earlier days and, at the same time, improving the computational efficiency and accuracy of these methods. In this thesis, numerically efficient methods to compute the transmission line parameters of a multiconductor system and the equivalent capacitances of various strip discontinuities are presented based on the quasi-static approximation. The presented techniques are applicable to conductors embedded in an arbitrary number of dielectric layers with two possible locations of ground planes at the top and bottom of the dielectric layers. The cross-sections of conductors can be arbitrary as long as they can be described with polygons. An integral equation approach in conjunction with the collocation method is used in the presented methods. A closed-form Green's function is derived based on weighted real images thus avoiding nested infinite summations in the exact Green's function; therefore, this closed-form Green's function is numerically more efficient than the exact Green's function. All elements associated with the moment matrix are computed using the closed-form formulas. Various numerical examples are considered to verify the presented methods, and a comparison of the computed results with other published results showed good agreement.

  17. Teaching Materials and Methods.

    ERIC Educational Resources Information Center

    Physiologist, 1982

    1982-01-01

    Twelve abstracts of papers presented at the 33rd Annual Fall Meeting of the American Physiological Society are listed, focusing on teaching materials/methods. Topics, among others, include trends in physiology laboratory programs, cardiovascular system model, cardiovascular computer simulation with didactic feedback, and computer generated figures…

  18. Computational Methods Development at Ames

    NASA Technical Reports Server (NTRS)

    Kwak, Dochan; Smith, Charles A. (Technical Monitor)

    1998-01-01

    This viewgraph presentation outlines the development at Ames Research Center of advanced computational methods to provide appropriate fidelity computational analysis/design capabilities. Current thrusts of the Ames research include: 1) methods to enhance/accelerate viscous flow simulation procedures, and the development of hybrid/polyhedral-grid procedures for viscous flow; 2) the development of real time transonic flow simulation procedures for a production wind tunnel, and intelligent data management technology; and 3) the validation of methods and the flow physics study gives historical precedents to above research, and speculates on its future course.

  19. CSM Testbed Development and Large-Scale Structural Applications

    NASA Technical Reports Server (NTRS)

    Knight, Norman F., Jr.; Gillian, R. E.; Mccleary, Susan L.; Lotts, C. G.; Poole, E. L.; Overman, A. L.; Macy, S. C.

    1989-01-01

    A research activity called Computational Structural Mechanics (CSM) conducted at the NASA Langley Research Center is described. This activity is developing advanced structural analysis and computational methods that exploit high-performance computers. Methods are developed in the framework of the CSM Testbed software system and applied to representative complex structural analysis problems from the aerospace industry. An overview of the CSM Testbed methods development environment is presented and some new numerical methods developed on a CRAY-2 are described. Selected application studies performed on the NAS CRAY-2 are also summarized.

  20. Computer analysis of multicircuit shells of revolution by the field method

    NASA Technical Reports Server (NTRS)

    Cohen, G. A.

    1975-01-01

    The field method, presented previously for the solution of even-order linear boundary value problems defined on one-dimensional open branch domains, is extended to boundary value problems defined on one-dimensional domains containing circuits. This method converts the boundary value problem into two successive numerically stable initial value problems, which may be solved by standard forward integration techniques. In addition, a new method for the treatment of singular boundary conditions is presented. This method, which amounts to a partial interchange of the roles of force and displacement variables, is problem independent with respect to both accuracy and speed of execution. This method was implemented in a computer program to calculate the static response of ring stiffened orthotropic multicircuit shells of revolution to asymmetric loads. Solutions are presented for sample problems which illustrate the accuracy and efficiency of the method.

  1. Detecting Nano-Scale Vibrations in Rotating Devices by Using Advanced Computational Methods

    PubMed Central

    del Toro, Raúl M.; Haber, Rodolfo E.; Schmittdiel, Michael C.

    2010-01-01

    This paper presents a computational method for detecting vibrations related to eccentricity in ultra precision rotation devices used for nano-scale manufacturing. The vibration is indirectly measured via a frequency domain analysis of the signal from a piezoelectric sensor attached to the stationary component of the rotating device. The algorithm searches for particular harmonic sequences associated with the eccentricity of the device rotation axis. The detected sequence is quantified and serves as input to a regression model that estimates the eccentricity. A case study presents the application of the computational algorithm during precision manufacturing processes. PMID:22399918

  2. Determination of stresses in gas-turbine disks subjected to plastic flow and creep

    NASA Technical Reports Server (NTRS)

    Millenson, M B; Manson, S S

    1948-01-01

    A finite-difference method previously presented for computing elastic stresses in rotating disks is extended to include the computation of the disk stresses when plastic flow and creep are considered. A finite-difference method is employed to eliminate numerical integration and to permit nontechnical personnel to make the calculations with a minimum of engineering supervision. Illustrative examples are included to facilitate explanation of the procedure by carrying out the computations on a typical gas-turbine disk through a complete running cycle. The results of the numerical examples presented indicate that plastic flow markedly alters the elastic-stress distribution.

  3. Propagation of Computational Uncertainty Using the Modern Design of Experiments

    NASA Technical Reports Server (NTRS)

    DeLoach, Richard

    2007-01-01

    This paper describes the use of formally designed experiments to aid in the error analysis of a computational experiment. A method is described by which the underlying code is approximated with relatively low-order polynomial graduating functions represented by truncated Taylor series approximations to the true underlying response function. A resource-minimal approach is outlined by which such graduating functions can be estimated from a minimum number of case runs of the underlying computational code. Certain practical considerations are discussed, including ways and means of coping with high-order response functions. The distributional properties of prediction residuals are presented and discussed. A practical method is presented for quantifying that component of the prediction uncertainty of a computational code that can be attributed to imperfect knowledge of independent variable levels. This method is illustrated with a recent assessment of uncertainty in computational estimates of Space Shuttle thermal and structural reentry loads attributable to ice and foam debris impact on ascent.

  4. Methods for operating parallel computing systems employing sequenced communications

    DOEpatents

    Benner, R.E.; Gustafson, J.L.; Montry, G.R.

    1999-08-10

    A parallel computing system and method are disclosed having improved performance where a program is concurrently run on a plurality of nodes for reducing total processing time, each node having a processor, a memory, and a predetermined number of communication channels connected to the node and independently connected directly to other nodes. The present invention improves performance of the parallel computing system by providing a system which can provide efficient communication between the processors and between the system and input and output devices. A method is also disclosed which can locate defective nodes with the computing system. 15 figs.

  5. Methods for operating parallel computing systems employing sequenced communications

    DOEpatents

    Benner, Robert E.; Gustafson, John L.; Montry, Gary R.

    1999-01-01

    A parallel computing system and method having improved performance where a program is concurrently run on a plurality of nodes for reducing total processing time, each node having a processor, a memory, and a predetermined number of communication channels connected to the node and independently connected directly to other nodes. The present invention improves performance of performance of the parallel computing system by providing a system which can provide efficient communication between the processors and between the system and input and output devices. A method is also disclosed which can locate defective nodes with the computing system.

  6. Subtraction method of computing QCD jet cross sections at NNLO accuracy

    NASA Astrophysics Data System (ADS)

    Trócsányi, Zoltán; Somogyi, Gábor

    2008-10-01

    We present a general subtraction method for computing radiative corrections to QCD jet cross sections at next-to-next-to-leading order accuracy. The steps needed to set up this subtraction scheme are the same as those used in next-to-leading order computations. However, all steps need non-trivial modifications, which we implement such that that those can be defined at any order in perturbation theory. We give a status report of the implementation of the method to computing jet cross sections in electron-positron annihilation at the next-to-next-to-leading order accuracy.

  7. A combined direct/inverse three-dimensional transonic wing design method for vector computers

    NASA Technical Reports Server (NTRS)

    Weed, R. A.; Carlson, L. A.; Anderson, W. K.

    1984-01-01

    A three-dimensional transonic-wing design algorithm for vector computers is developed, and the results of sample computations are presented graphically. The method incorporates the direct/inverse scheme of Carlson (1975), a Cartesian grid system with boundary conditions applied at a mean plane, and a potential-flow solver based on the conservative form of the full potential equation and using the ZEBRA II vectorizable solution algorithm of South et al. (1980). The accuracy and consistency of the method with regard to direct and inverse analysis and trailing-edge closure are verified in the test computations.

  8. Fractal Analysis of Rock Joint Profiles

    NASA Astrophysics Data System (ADS)

    Audy, Ondřej; Ficker, Tomáš

    2017-10-01

    Surface reliefs of rock joints are analyzed in geotechnics when shear strength of rocky slopes is estimated. The rock joint profiles actually are self-affine fractal curves and computations of their fractal dimensions require special methods. Many papers devoted to the fractal properties of these profiles were published in the past but only a few of those papers employed a convenient computational method that would have guaranteed a sound value of that dimension. As a consequence, anomalously low dimensions were presented. This contribution deals with two computational modifications that lead to sound fractal dimensions of the self-affine rock joint profiles. These are the modified box-counting method and the modified yard-stick method sometimes called the compass method. Both these methods are frequently applied to self-similar fractal curves but the self-affine profile curves due to their self-affine nature require modified computational procedures implemented in computer programs.

  9. Ray tracing on the MPP

    NASA Technical Reports Server (NTRS)

    Dorband, John E.

    1987-01-01

    Generating graphics to faithfully represent information can be a computationally intensive task. A way of using the Massively Parallel Processor to generate images by ray tracing is presented. This technique uses sort computation, a method of performing generalized routing interspersed with computation on a single-instruction-multiple-data (SIMD) computer.

  10. Optimized blind gamma-ray pulsar searches at fixed computing budget

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

    Pletsch, Holger J.; Clark, Colin J., E-mail: holger.pletsch@aei.mpg.de

    The sensitivity of blind gamma-ray pulsar searches in multiple years worth of photon data, as from the Fermi LAT, is primarily limited by the finite computational resources available. Addressing this 'needle in a haystack' problem, here we present methods for optimizing blind searches to achieve the highest sensitivity at fixed computing cost. For both coherent and semicoherent methods, we consider their statistical properties and study their search sensitivity under computational constraints. The results validate a multistage strategy, where the first stage scans the entire parameter space using an efficient semicoherent method and promising candidates are then refined through a fullymore » coherent analysis. We also find that for the first stage of a blind search incoherent harmonic summing of powers is not worthwhile at fixed computing cost for typical gamma-ray pulsars. Further enhancing sensitivity, we present efficiency-improved interpolation techniques for the semicoherent search stage. Via realistic simulations we demonstrate that overall these optimizations can significantly lower the minimum detectable pulsed fraction by almost 50% at the same computational expense.« less

  11. Iterative solution of the inverse Cauchy problem for an elliptic equation by the conjugate gradient method

    NASA Astrophysics Data System (ADS)

    Vasil'ev, V. I.; Kardashevsky, A. M.; Popov, V. V.; Prokopev, G. A.

    2017-10-01

    This article presents results of computational experiment carried out using a finite-difference method for solving the inverse Cauchy problem for a two-dimensional elliptic equation. The computational algorithm involves an iterative determination of the missing boundary condition from the override condition using the conjugate gradient method. The results of calculations are carried out on the examples with exact solutions as well as at specifying an additional condition with random errors are presented. Results showed a high efficiency of the iterative method of conjugate gradients for numerical solution

  12. CFD Methods and Tools for Multi-Element Airfoil Analysis

    NASA Technical Reports Server (NTRS)

    Rogers, Stuart E.; George, Michael W. (Technical Monitor)

    1995-01-01

    This lecture will discuss the computational tools currently available for high-lift multi-element airfoil analysis. It will present an overview of a number of different numerical approaches, their current capabilities, short-comings, and computational costs. The lecture will be limited to viscous methods, including inviscid/boundary layer coupling methods, and incompressible and compressible Reynolds-averaged Navier-Stokes methods. Both structured and unstructured grid generation approaches will be presented. Two different structured grid procedures are outlined, one which uses multi-block patched grids, the other uses overset chimera grids. Turbulence and transition modeling will be discussed.

  13. A simple and fast method for computing the relativistic Compton Scattering Kernel for radiative transfer

    NASA Technical Reports Server (NTRS)

    Kershaw, David S.; Prasad, Manoj K.; Beason, J. Douglas

    1986-01-01

    The Klein-Nishina differential cross section averaged over a relativistic Maxwellian electron distribution is analytically reduced to a single integral, which can then be rapidly evaluated in a variety of ways. A particularly fast method for numerically computing this single integral is presented. This is, to the authors' knowledge, the first correct computation of the Compton scattering kernel.

  14. Solution-adaptive finite element method in computational fracture mechanics

    NASA Technical Reports Server (NTRS)

    Min, J. B.; Bass, J. M.; Spradley, L. W.

    1993-01-01

    Some recent results obtained using solution-adaptive finite element method in linear elastic two-dimensional fracture mechanics problems are presented. The focus is on the basic issue of adaptive finite element method for validating the applications of new methodology to fracture mechanics problems by computing demonstration problems and comparing the stress intensity factors to analytical results.

  15. Reliability computation using fault tree analysis

    NASA Technical Reports Server (NTRS)

    Chelson, P. O.

    1971-01-01

    A method is presented for calculating event probabilities from an arbitrary fault tree. The method includes an analytical derivation of the system equation and is not a simulation program. The method can handle systems that incorporate standby redundancy and it uses conditional probabilities for computing fault trees where the same basic failure appears in more than one fault path.

  16. Computational Fluid Dynamics. [numerical methods and algorithm development

    NASA Technical Reports Server (NTRS)

    1992-01-01

    This collection of papers was presented at the Computational Fluid Dynamics (CFD) Conference held at Ames Research Center in California on March 12 through 14, 1991. It is an overview of CFD activities at NASA Lewis Research Center. The main thrust of computational work at Lewis is aimed at propulsion systems. Specific issues related to propulsion CFD and associated modeling will also be presented. Examples of results obtained with the most recent algorithm development will also be presented.

  17. The present state and future directions of PDF methods

    NASA Technical Reports Server (NTRS)

    Pope, S. B.

    1992-01-01

    The objectives of the workshop are presented in viewgraph format, as is this entire article. The objectives are to discuss the present status and the future direction of various levels of engineering turbulence modeling related to Computational Fluid Dynamics (CFD) computations for propulsion; to assure that combustion is an essential part of propulsion; and to discuss Probability Density Function (PDF) methods for turbulent combustion. Essential to the integration of turbulent combustion models is the development of turbulent model, chemical kinetics, and numerical method. Some turbulent combustion models typically used in industry are the k-epsilon turbulent model, the equilibrium/mixing limited combustion, and the finite volume codes.

  18. The Structure and Properties of Silica Glass Nanostructures using Novel Computational Systems

    NASA Astrophysics Data System (ADS)

    Doblack, Benjamin N.

    The structure and properties of silica glass nanostructures are examined using computational methods in this work. Standard synthesis methods of silica and its associated material properties are first discussed in brief. A review of prior experiments on this amorphous material is also presented. Background and methodology for the simulation of mechanical tests on amorphous bulk silica and nanostructures are later presented. A new computational system for the accurate and fast simulation of silica glass is also presented, using an appropriate interatomic potential for this material within the open-source molecular dynamics computer program LAMMPS. This alternative computational method uses modern graphics processors, Nvidia CUDA technology and specialized scientific codes to overcome processing speed barriers common to traditional computing methods. In conjunction with a virtual reality system used to model select materials, this enhancement allows the addition of accelerated molecular dynamics simulation capability. The motivation is to provide a novel research environment which simultaneously allows visualization, simulation, modeling and analysis. The research goal of this project is to investigate the structure and size dependent mechanical properties of silica glass nanohelical structures under tensile MD conditions using the innovative computational system. Specifically, silica nanoribbons and nanosprings are evaluated which revealed unique size dependent elastic moduli when compared to the bulk material. For the nanoribbons, the tensile behavior differed widely between the models simulated, with distinct characteristic extended elastic regions. In the case of the nanosprings simulated, more clear trends are observed. In particular, larger nanospring wire cross-sectional radii (r) lead to larger Young's moduli, while larger helical diameters (2R) resulted in smaller Young's moduli. Structural transformations and theoretical models are also analyzed to identify possible factors which might affect the mechanical response of silica nanostructures under tension. The work presented outlines an innovative simulation methodology, and discusses how results can be validated against prior experimental and simulation findings. The ultimate goal is to develop new computational methods for the study of nanostructures which will make the field of materials science more accessible, cost effective and efficient.

  19. The multifacet graphically contracted function method. I. Formulation and implementation

    NASA Astrophysics Data System (ADS)

    Shepard, Ron; Gidofalvi, Gergely; Brozell, Scott R.

    2014-08-01

    The basic formulation for the multifacet generalization of the graphically contracted function (MFGCF) electronic structure method is presented. The analysis includes the discussion of linear dependency and redundancy of the arc factor parameters, the computation of reduced density matrices, Hamiltonian matrix construction, spin-density matrix construction, the computation of optimization gradients for single-state and state-averaged calculations, graphical wave function analysis, and the efficient computation of configuration state function and Slater determinant expansion coefficients. Timings are given for Hamiltonian matrix element and analytic optimization gradient computations for a range of model problems for full-CI Shavitt graphs, and it is observed that both the energy and the gradient computation scale as O(N2n4) for N electrons and n orbitals. The important arithmetic operations are within dense matrix-matrix product computational kernels, resulting in a computationally efficient procedure. An initial implementation of the method is used to present applications to several challenging chemical systems, including N2 dissociation, cubic H8 dissociation, the symmetric dissociation of H2O, and the insertion of Be into H2. The results are compared to the exact full-CI values and also to those of the previous single-facet GCF expansion form.

  20. The multifacet graphically contracted function method. I. Formulation and implementation.

    PubMed

    Shepard, Ron; Gidofalvi, Gergely; Brozell, Scott R

    2014-08-14

    The basic formulation for the multifacet generalization of the graphically contracted function (MFGCF) electronic structure method is presented. The analysis includes the discussion of linear dependency and redundancy of the arc factor parameters, the computation of reduced density matrices, Hamiltonian matrix construction, spin-density matrix construction, the computation of optimization gradients for single-state and state-averaged calculations, graphical wave function analysis, and the efficient computation of configuration state function and Slater determinant expansion coefficients. Timings are given for Hamiltonian matrix element and analytic optimization gradient computations for a range of model problems for full-CI Shavitt graphs, and it is observed that both the energy and the gradient computation scale as O(N(2)n(4)) for N electrons and n orbitals. The important arithmetic operations are within dense matrix-matrix product computational kernels, resulting in a computationally efficient procedure. An initial implementation of the method is used to present applications to several challenging chemical systems, including N2 dissociation, cubic H8 dissociation, the symmetric dissociation of H2O, and the insertion of Be into H2. The results are compared to the exact full-CI values and also to those of the previous single-facet GCF expansion form.

  1. Face recognition system and method using face pattern words and face pattern bytes

    DOEpatents

    Zheng, Yufeng

    2014-12-23

    The present invention provides a novel system and method for identifying individuals and for face recognition utilizing facial features for face identification. The system and method of the invention comprise creating facial features or face patterns called face pattern words and face pattern bytes for face identification. The invention also provides for pattern recognitions for identification other than face recognition. The invention further provides a means for identifying individuals based on visible and/or thermal images of those individuals by utilizing computer software implemented by instructions on a computer or computer system and a computer readable medium containing instructions on a computer system for face recognition and identification.

  2. Massively parallel sparse matrix function calculations with NTPoly

    NASA Astrophysics Data System (ADS)

    Dawson, William; Nakajima, Takahito

    2018-04-01

    We present NTPoly, a massively parallel library for computing the functions of sparse, symmetric matrices. The theory of matrix functions is a well developed framework with a wide range of applications including differential equations, graph theory, and electronic structure calculations. One particularly important application area is diagonalization free methods in quantum chemistry. When the input and output of the matrix function are sparse, methods based on polynomial expansions can be used to compute matrix functions in linear time. We present a library based on these methods that can compute a variety of matrix functions. Distributed memory parallelization is based on a communication avoiding sparse matrix multiplication algorithm. OpenMP task parallellization is utilized to implement hybrid parallelization. We describe NTPoly's interface and show how it can be integrated with programs written in many different programming languages. We demonstrate the merits of NTPoly by performing large scale calculations on the K computer.

  3. Study of high speed complex number algorithms. [for determining antenna for field radiation patterns

    NASA Technical Reports Server (NTRS)

    Heisler, R.

    1981-01-01

    A method of evaluating the radiation integral on the curved surface of a reflecting antenna is presented. A three dimensional Fourier transform approach is used to generate a two dimensional radiation cross-section along a planer cut at any angle phi through the far field pattern. Salient to the method is an algorithm for evaluating a subset of the total three dimensional discrete Fourier transform results. The subset elements are selectively evaluated to yield data along a geometric plane of constant. The algorithm is extremely efficient so that computation of the induced surface currents via the physical optics approximation dominates the computer time required to compute a radiation pattern. Application to paraboloid reflectors with off-focus feeds in presented, but the method is easily extended to offset antenna systems and reflectors of arbitrary shapes. Numerical results were computed for both gain and phase and are compared with other published work.

  4. Influence of computational domain size on the pattern formation of the phase field crystals

    NASA Astrophysics Data System (ADS)

    Starodumov, Ilya; Galenko, Peter; Alexandrov, Dmitri; Kropotin, Nikolai

    2017-04-01

    Modeling of crystallization process by the phase field crystal method (PFC) represents one of the important directions of modern computational materials science. This method makes it possible to research the formation of stable or metastable crystal structures. In this paper, we study the effect of computational domain size on the crystal pattern formation obtained as a result of computer simulation by the PFC method. In the current report, we show that if the size of a computational domain is changed, the result of modeling may be a structure in metastable phase instead of pure stable state. The authors present a possible theoretical justification for the observed effect and provide explanations on the possible modification of the PFC method to account for this phenomenon.

  5. A two-layer multiple-time-scale turbulence model and grid independence study

    NASA Technical Reports Server (NTRS)

    Kim, S.-W.; Chen, C.-P.

    1989-01-01

    A two-layer multiple-time-scale turbulence model is presented. The near-wall model is based on the classical Kolmogorov-Prandtl turbulence hypothesis and the semi-empirical logarithmic law of the wall. In the two-layer model presented, the computational domain of the conservation of mass equation and the mean momentum equation penetrated up to the wall, where no slip boundary condition has been prescribed; and the near wall boundary of the turbulence equations has been located at the fully turbulent region, yet very close to the wall, where the standard wall function method has been applied. Thus, the conservation of mass constraint can be satisfied more rigorously in the two-layer model than in the standard wall function method. In most of the two-layer turbulence models, the number of grid points to be used inside the near-wall layer posed the issue of computational efficiency. The present finite element computational results showed that the grid independent solutions were obtained with as small as two grid points, i.e., one quadratic element, inside the near wall layer. Comparison of the computational results obtained by using the two-layer model and those obtained by using the wall function method is also presented.

  6. Computational Methods for Failure Analysis and Life Prediction

    NASA Technical Reports Server (NTRS)

    Noor, Ahmed K. (Compiler); Harris, Charles E. (Compiler); Housner, Jerrold M. (Compiler); Hopkins, Dale A. (Compiler)

    1993-01-01

    This conference publication contains the presentations and discussions from the joint UVA/NASA Workshop on Computational Methods for Failure Analysis and Life Prediction held at NASA Langley Research Center 14-15 Oct. 1992. The presentations focused on damage failure and life predictions of polymer-matrix composite structures. They covered some of the research activities at NASA Langley, NASA Lewis, Southwest Research Institute, industry, and universities. Both airframes and propulsion systems were considered.

  7. Simplified methods for computing total sediment discharge with the modified Einstein procedure

    USGS Publications Warehouse

    Colby, Bruce R.; Hubbell, David Wellington

    1961-01-01

    A procedure was presented in 1950 by H. A. Einstein for computing the total discharge of sediment particles of sizes that are in appreciable quantities in the stream bed. This procedure was modified by the U.S. Geological Survey and adapted to computing the total sediment discharge of a stream on the basis of samples of bed sediment, depth-integrated samples of suspended sediment, streamflow measurements, and water temperature. This paper gives simplified methods for computing total sediment discharge by the modified Einstein procedure. Each of four homographs appreciably simplifies a major step in the computations. Within the stated limitations, use of the homographs introduces much less error than is present in either the basic data or the theories on which the computations of total sediment discharge are based. The results are nearly as accurate mathematically as those that could be obtained from the longer and more complex arithmetic and algebraic computations of the Einstein procedure.

  8. Statistical energy analysis computer program, user's guide

    NASA Technical Reports Server (NTRS)

    Trudell, R. W.; Yano, L. I.

    1981-01-01

    A high frequency random vibration analysis, (statistical energy analysis (SEA) method) is examined. The SEA method accomplishes high frequency prediction of arbitrary structural configurations. A general SEA computer program is described. A summary of SEA theory, example problems of SEA program application, and complete program listing are presented.

  9. A Computer System for Making Quick and Economical Color Slides.

    ERIC Educational Resources Information Center

    Pryor, Harold George

    1986-01-01

    A computer-based method for producing 35mm color slides has been used in Ohio State University's College of Dentistry. The method can produce both text and slides in less than two hours, providing substantial flexibility in planning and revising visual presentations. (Author/MLW)

  10. Efficient Computation of Difference Vibrational Spectra in Isothermal-Isobaric Ensemble.

    PubMed

    Joutsuka, Tatsuya; Morita, Akihiro

    2016-11-03

    Difference spectroscopy between two close systems is widely used to augment its selectivity to the different parts of the observed system, though the molecular dynamics calculation of tiny difference spectra would be computationally extraordinary demanding by subtraction of two spectra. Therefore, we have proposed an efficient computational algorithm of difference spectra without resorting to the subtraction. The present paper reports our extension of the theoretical method in the isothermal-isobaric (NPT) ensemble. The present theory expands our applications of analysis including pressure dependence of the spectra. We verified that the present theory yields accurate difference spectra in the NPT condition as well, with remarkable computational efficiency over the straightforward subtraction by several orders of magnitude. This method is further applied to vibrational spectra of liquid water with varying pressure and succeeded in reproducing tiny difference spectra by pressure change. The anomalous pressure dependence is elucidated in relation to other properties of liquid water.

  11. Determining localized garment insulation values from manikin studies: computational method and results.

    PubMed

    Nelson, D A; Curlee, J S; Curran, A R; Ziriax, J M; Mason, P A

    2005-12-01

    The localized thermal insulation value expresses a garment's thermal resistance over the region which is covered by the garment, rather than over the entire surface of a subject or manikin. The determination of localized garment insulation values is critical to the development of high-resolution models of sensible heat exchange. A method is presented for determining and validating localized garment insulation values, based on whole-body insulation values (clo units) and using computer-aided design and thermal analysis software. Localized insulation values are presented for a catalog consisting of 106 garments and verified using computer-generated models. The values presented are suitable for use on volume element-based or surface element-based models of heat transfer involving clothed subjects.

  12. Calculation of heat transfer on shuttle type configurations including the effects of variable entropy at boundary layer edge

    NASA Technical Reports Server (NTRS)

    Dejarnette, F. R.

    1972-01-01

    A relatively simple method is presented for including the effect of variable entropy at the boundary-layer edge in a heat transfer method developed previously. For each inviscid surface streamline an approximate shockwave shape is calculated using a modified form of Maslen's method for inviscid axisymmetric flows. The entropy for the streamline at the edge of the boundary layer is determined by equating the mass flux through the shock wave to that inside the boundary layer. Approximations used in this technique allow the heating rates along each inviscid surface streamline to be calculated independent of the other streamlines. The shock standoff distances computed by the present method are found to compare well with those computed by Maslen's asymmetric method. Heating rates are presented for blunted circular and elliptical cones and a typical space shuttle orbiter at angles of attack. Variable entropy effects are found to increase heating rates downstream of the nose significantly higher than those computed using normal-shock entropy, and turbulent heating rates increased more than laminar rates. Effects of Reynolds number and angles of attack are also shown.

  13. Computational methods for internal flows with emphasis on turbomachinery

    NASA Technical Reports Server (NTRS)

    Mcnally, W. D.; Sockol, P. M.

    1981-01-01

    Current computational methods for analyzing flows in turbomachinery and other related internal propulsion components are presented. The methods are divided into two classes. The inviscid methods deal specifically with turbomachinery applications. Viscous methods, deal with generalized duct flows as well as flows in turbomachinery passages. Inviscid methods are categorized into the potential, stream function, and Euler aproaches. Viscous methods are treated in terms of parabolic, partially parabolic, and elliptic procedures. Various grids used in association with these procedures are also discussed.

  14. 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.

  15. 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.

  16. Estimation of relative free energies of binding using pre-computed ensembles based on the single-step free energy perturbation and the site-identification by Ligand competitive saturation approaches.

    PubMed

    Raman, E Prabhu; Lakkaraju, Sirish Kaushik; Denny, Rajiah Aldrin; MacKerell, Alexander D

    2017-06-05

    Accurate and rapid estimation of relative binding affinities of ligand-protein complexes is a requirement of computational methods for their effective use in rational ligand design. Of the approaches commonly used, free energy perturbation (FEP) methods are considered one of the most accurate, although they require significant computational resources. Accordingly, it is desirable to have alternative methods of similar accuracy but greater computational efficiency to facilitate ligand design. In the present study relative free energies of binding are estimated for one or two non-hydrogen atom changes in compounds targeting the proteins ACK1 and p38 MAP kinase using three methods. The methods include standard FEP, single-step free energy perturbation (SSFEP) and the site-identification by ligand competitive saturation (SILCS) ligand grid free energy (LGFE) approach. Results show the SSFEP and SILCS LGFE methods to be competitive with or better than the FEP results for the studied systems, with SILCS LGFE giving the best agreement with experimental results. This is supported by additional comparisons with published FEP data on p38 MAP kinase inhibitors. While both the SSFEP and SILCS LGFE approaches require a significant upfront computational investment, they offer a 1000-fold computational savings over FEP for calculating the relative affinities of ligand modifications once those pre-computations are complete. An illustrative example of the potential application of these methods in the context of screening large numbers of transformations is presented. Thus, the SSFEP and SILCS LGFE approaches represent viable alternatives for actively driving ligand design during drug discovery and development. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  17. Chromatographic and computational assessment of lipophilicity using sum of ranking differences and generalized pair-correlation.

    PubMed

    Andrić, Filip; Héberger, Károly

    2015-02-06

    Lipophilicity (logP) represents one of the most studied and most frequently used fundamental physicochemical properties. At present there are several possibilities for its quantitative expression and many of them stems from chromatographic experiments. Numerous attempts have been made to compare different computational methods, chromatographic methods vs. computational approaches, as well as chromatographic methods and direct shake-flask procedure without definite results or these findings are not accepted generally. In the present work numerous chromatographically derived lipophilicity measures in combination with diverse computational methods were ranked and clustered using the novel variable discrimination and ranking approaches based on the sum of ranking differences and the generalized pair correlation method. Available literature logP data measured on HILIC, and classical reversed-phase combining different classes of compounds have been compared with most frequently used multivariate data analysis techniques (principal component and hierarchical cluster analysis) as well as with the conclusions in the original sources. Chromatographic lipophilicity measures obtained under typical reversed-phase conditions outperform the majority of computationally estimated logPs. Oppositely, in the case of HILIC none of the many proposed chromatographic indices overcomes any of the computationally assessed logPs. Only two of them (logkmin and kmin) may be selected as recommended chromatographic lipophilicity measures. Both ranking approaches, sum of ranking differences and generalized pair correlation method, although based on different backgrounds, provides highly similar variable ordering and grouping leading to the same conclusions. Copyright © 2015. Published by Elsevier B.V.

  18. Errors in finite-difference computations on curvilinear coordinate systems

    NASA Technical Reports Server (NTRS)

    Mastin, C. W.; Thompson, J. F.

    1980-01-01

    Curvilinear coordinate systems were used extensively to solve partial differential equations on arbitrary regions. An analysis of truncation error in the computation of derivatives revealed why numerical results may be erroneous. A more accurate method of computing derivatives is presented.

  19. A computer solution for the dynamic load, lubricant film thickness, and surface temperatures in spiral-bevel gears

    NASA Technical Reports Server (NTRS)

    Chao, H. C.; Baxter, M.; Cheng, H. S.

    1983-01-01

    A computer method for determining the dynamic load between spiral bevel pinion and gear teeth contact along the path of contact is described. The dynamic load analysis governs both the surface temperature and film thickness. Computer methods for determining the surface temperature, and film thickness are presented along with results obtained for a pair of typical spiral bevel gears.

  20. AI/OR computational model for integrating qualitative and quantitative design methods

    NASA Technical Reports Server (NTRS)

    Agogino, Alice M.; Bradley, Stephen R.; Cagan, Jonathan; Jain, Pramod; Michelena, Nestor

    1990-01-01

    A theoretical framework for integrating qualitative and numerical computational methods for optimally-directed design is described. The theory is presented as a computational model and features of implementations are summarized where appropriate. To demonstrate the versatility of the methodology we focus on four seemingly disparate aspects of the design process and their interaction: (1) conceptual design, (2) qualitative optimal design, (3) design innovation, and (4) numerical global optimization.

  1. A boundary element alternating method for two-dimensional mixed-mode fracture problems

    NASA Technical Reports Server (NTRS)

    Raju, I. S.; Krishnamurthy, T.

    1992-01-01

    A boundary element alternating method, denoted herein as BEAM, is presented for two dimensional fracture problems. This is an iterative method which alternates between two solutions. An analytical solution for arbitrary polynomial normal and tangential pressure distributions applied to the crack faces of an embedded crack in an infinite plate is used as the fundamental solution in the alternating method. A boundary element method for an uncracked finite plate is the second solution. For problems of edge cracks a technique of utilizing finite elements with BEAM is presented to overcome the inherent singularity in boundary element stress calculation near the boundaries. Several computational aspects that make the algorithm efficient are presented. Finally, the BEAM is applied to a variety of two dimensional crack problems with different configurations and loadings to assess the validity of the method. The method gives accurate stress intensity factors with minimal computing effort.

  2. Automated apparatus and method of generating native code for a stitching machine

    NASA Technical Reports Server (NTRS)

    Miller, Jeffrey L. (Inventor)

    2000-01-01

    A computer system automatically generates CNC code for a stitching machine. The computer determines the locations of a present stitching point and a next stitching point. If a constraint is not found between the present stitching point and the next stitching point, the computer generates code for making a stitch at the next stitching point. If a constraint is found, the computer generates code for changing a condition (e.g., direction) of the stitching machine's stitching head.

  3. A CUMULATIVE MIGRATION METHOD FOR COMPUTING RIGOROUS TRANSPORT CROSS SECTIONS AND DIFFUSION COEFFICIENTS FOR LWR LATTICES WITH MONTE CARLO

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

    Zhaoyuan Liu; Kord Smith; Benoit Forget

    2016-05-01

    A new method for computing homogenized assembly neutron transport cross sections and dif- fusion coefficients that is both rigorous and computationally efficient is proposed in this paper. In the limit of a homogeneous hydrogen slab, the new method is equivalent to the long-used, and only-recently-published CASMO transport method. The rigorous method is used to demonstrate the sources of inaccuracy in the commonly applied “out-scatter” transport correction. It is also demonstrated that the newly developed method is directly applicable to lattice calculations per- formed by Monte Carlo and is capable of computing rigorous homogenized transport cross sections for arbitrarily heterogeneous lattices.more » Comparisons of several common transport cross section ap- proximations are presented for a simple problem of infinite medium hydrogen. The new method has also been applied in computing 2-group diffusion data for an actual PWR lattice from BEAVRS benchmark.« less

  4. The computational complexity of elliptic curve integer sub-decomposition (ISD) method

    NASA Astrophysics Data System (ADS)

    Ajeena, Ruma Kareem K.; Kamarulhaili, Hailiza

    2014-07-01

    The idea of the GLV method of Gallant, Lambert and Vanstone (Crypto 2001) is considered a foundation stone to build a new procedure to compute the elliptic curve scalar multiplication. This procedure, that is integer sub-decomposition (ISD), will compute any multiple kP of elliptic curve point P which has a large prime order n with two low-degrees endomorphisms ψ1 and ψ2 of elliptic curve E over prime field Fp. The sub-decomposition of values k1 and k2, not bounded by ±C√n , gives us new integers k11, k12, k21 and k22 which are bounded by ±C√n and can be computed through solving the closest vector problem in lattice. The percentage of a successful computation for the scalar multiplication increases by ISD method, which improved the computational efficiency in comparison with the general method for computing scalar multiplication in elliptic curves over the prime fields. This paper will present the mechanism of ISD method and will shed light mainly on the computation complexity of the ISD approach that will be determined by computing the cost of operations. These operations include elliptic curve operations and finite field operations.

  5. A Novel College Network Resource Management Method using Cloud Computing

    NASA Astrophysics Data System (ADS)

    Lin, Chen

    At present information construction of college mainly has construction of college networks and management information system; there are many problems during the process of information. Cloud computing is development of distributed processing, parallel processing and grid computing, which make data stored on the cloud, make software and services placed in the cloud and build on top of various standards and protocols, you can get it through all kinds of equipments. This article introduces cloud computing and function of cloud computing, then analyzes the exiting problems of college network resource management, the cloud computing technology and methods are applied in the construction of college information sharing platform.

  6. Improved Collision-Detection Method for Robotic Manipulator

    NASA Technical Reports Server (NTRS)

    Leger, Chris

    2003-01-01

    An improved method has been devised for the computational prediction of a collision between (1) a robotic manipulator and (2) another part of the robot or an external object in the vicinity of the robot. The method is intended to be used to test commanded manipulator trajectories in advance so that execution of the commands can be stopped before damage is done. The method involves utilization of both (1) mathematical models of the robot and its environment constructed manually prior to operation and (2) similar models constructed automatically from sensory data acquired during operation. The representation of objects in this method is simpler and more efficient (with respect to both computation time and computer memory), relative to the representations used in most prior methods. The present method was developed especially for use on a robotic land vehicle (rover) equipped with a manipulator arm and a vision system that includes stereoscopic electronic cameras. In this method, objects are represented and collisions detected by use of a previously developed technique known in the art as the method of oriented bounding boxes (OBBs). As the name of this technique indicates, an object is represented approximately, for computational purposes, by a box that encloses its outer boundary. Because many parts of a robotic manipulator are cylindrical, the OBB method has been extended in this method to enable the approximate representation of cylindrical parts by use of octagonal or other multiple-OBB assemblies denoted oriented bounding prisms (OBPs), as in the example of Figure 1. Unlike prior methods, the OBB/OBP method does not require any divisions or transcendental functions; this feature leads to greater robustness and numerical accuracy. The OBB/OBP method was selected for incorporation into the present method because it offers the best compromise between accuracy on the one hand and computational efficiency (and thus computational speed) on the other hand.

  7. A comparison of methods for computing the sigma-coordinate pressure gradient force for flow over sloped terrain in a hybrid theta-sigma model

    NASA Technical Reports Server (NTRS)

    Johnson, D. R.; Uccellini, L. W.

    1983-01-01

    In connection with the employment of the sigma coordinates introduced by Phillips (1957), problems can arise regarding an accurate finite-difference computation of the pressure gradient force. Over steeply sloped terrain, the calculation of the sigma-coordinate pressure gradient force involves computing the difference between two large terms of opposite sign which results in large truncation error. To reduce the truncation error, several finite-difference methods have been designed and implemented. The present investigation has the objective to provide another method of computing the sigma-coordinate pressure gradient force. Phillips' method is applied for the elimination of a hydrostatic component to a flux formulation. The new technique is compared with four other methods for computing the pressure gradient force. The work is motivated by the desire to use an isentropic and sigma-coordinate hybrid model for experiments designed to study flow near mountainous terrain.

  8. A sparse matrix-vector multiplication based algorithm for accurate density matrix computations on systems of millions of atoms

    NASA Astrophysics Data System (ADS)

    Ghale, Purnima; Johnson, Harley T.

    2018-06-01

    We present an efficient sparse matrix-vector (SpMV) based method to compute the density matrix P from a given Hamiltonian in electronic structure computations. Our method is a hybrid approach based on Chebyshev-Jackson approximation theory and matrix purification methods like the second order spectral projection purification (SP2). Recent methods to compute the density matrix scale as O(N) in the number of floating point operations but are accompanied by large memory and communication overhead, and they are based on iterative use of the sparse matrix-matrix multiplication kernel (SpGEMM), which is known to be computationally irregular. In addition to irregularity in the sparse Hamiltonian H, the nonzero structure of intermediate estimates of P depends on products of H and evolves over the course of computation. On the other hand, an expansion of the density matrix P in terms of Chebyshev polynomials is straightforward and SpMV based; however, the resulting density matrix may not satisfy the required constraints exactly. In this paper, we analyze the strengths and weaknesses of the Chebyshev-Jackson polynomials and the second order spectral projection purification (SP2) method, and propose to combine them so that the accurate density matrix can be computed using the SpMV computational kernel only, and without having to store the density matrix P. Our method accomplishes these objectives by using the Chebyshev polynomial estimate as the initial guess for SP2, which is followed by using sparse matrix-vector multiplications (SpMVs) to replicate the behavior of the SP2 algorithm for purification. We demonstrate the method on a tight-binding model system of an oxide material containing more than 3 million atoms. In addition, we also present the predicted behavior of our method when applied to near-metallic Hamiltonians with a wide energy spectrum.

  9. A Review of Methods for Analysis of the Expected Value of Information.

    PubMed

    Heath, Anna; Manolopoulou, Ioanna; Baio, Gianluca

    2017-10-01

    In recent years, value-of-information analysis has become more widespread in health economic evaluations, specifically as a tool to guide further research and perform probabilistic sensitivity analysis. This is partly due to methodological advancements allowing for the fast computation of a typical summary known as the expected value of partial perfect information (EVPPI). A recent review discussed some approximation methods for calculating the EVPPI, but as the research has been active over the intervening years, that review does not discuss some key estimation methods. Therefore, this paper presents a comprehensive review of these new methods. We begin by providing the technical details of these computation methods. We then present two case studies in order to compare the estimation performance of these new methods. We conclude that a method based on nonparametric regression offers the best method for calculating the EVPPI in terms of accuracy, computational time, and ease of implementation. This means that the EVPPI can now be used practically in health economic evaluations, especially as all the methods are developed in parallel with R functions and a web app to aid practitioners.

  10. Numerical methods in Markov chain modeling

    NASA Technical Reports Server (NTRS)

    Philippe, Bernard; Saad, Youcef; Stewart, William J.

    1989-01-01

    Several methods for computing stationary probability distributions of Markov chains are described and compared. The main linear algebra problem consists of computing an eigenvector of a sparse, usually nonsymmetric, matrix associated with a known eigenvalue. It can also be cast as a problem of solving a homogeneous singular linear system. Several methods based on combinations of Krylov subspace techniques are presented. The performance of these methods on some realistic problems are compared.

  11. Procedure and computer program to calculate machine contribution to sawmill recovery

    Treesearch

    Philip H. Steele; Hiram Hallock; Stanford Lunstrum

    1981-01-01

    The importance of considering individual machine contribution to total mill efficiency is discussed. A method for accurately calculating machine contribution is introduced, and an example is given using this method. A FORTRAN computer program to make the necessary complex calculations automatically is also presented with user instructions.

  12. Enhancing Learning Outcomes in Computer-Based Training via Self-Generated Elaboration

    ERIC Educational Resources Information Center

    Cuevas, Haydee M.; Fiore, Stephen M.

    2014-01-01

    The present study investigated the utility of an instructional strategy known as the "query method" for enhancing learning outcomes in computer-based training. The query method involves an embedded guided, sentence generation task requiring elaboration of key concepts in the training material that encourages learners to "stop and…

  13. Two inviscid computational simulations of separated flow about airfoils

    NASA Technical Reports Server (NTRS)

    Barnwell, R. W.

    1976-01-01

    Two inviscid computational simulations of separated flow about airfoils are described. The basic computational method is the line relaxation finite-difference method. Viscous separation is approximated with inviscid free-streamline separation. The point of separation is specified, and the pressure in the separation region is calculated. In the first simulation, the empiricism of constant pressure in the separation region is employed. This empiricism is easier to implement with the present method than with singularity methods. In the second simulation, acoustic theory is used to determine the pressure in the separation region. The results of both simulations are compared with experiment.

  14. Advanced reliability methods for structural evaluation

    NASA Technical Reports Server (NTRS)

    Wirsching, P. H.; Wu, Y.-T.

    1985-01-01

    Fast probability integration (FPI) methods, which can yield approximate solutions to such general structural reliability problems as the computation of the probabilities of complicated functions of random variables, are known to require one-tenth the computer time of Monte Carlo methods for a probability level of 0.001; lower probabilities yield even more dramatic differences. A strategy is presented in which a computer routine is run k times with selected perturbed values of the variables to obtain k solutions for a response variable Y. An approximating polynomial is fit to the k 'data' sets, and FPI methods are employed for this explicit form.

  15. Storage and computationally efficient permutations of factorized covariance and square-root information arrays

    NASA Technical Reports Server (NTRS)

    Muellerschoen, R. J.

    1988-01-01

    A unified method to permute vector stored Upper triangular Diagonal factorized covariance and vector stored upper triangular Square Root Information arrays is presented. The method involves cyclic permutation of the rows and columns of the arrays and retriangularization with fast (slow) Givens rotations (reflections). Minimal computation is performed, and a one dimensional scratch array is required. To make the method efficient for large arrays on a virtual memory machine, computations are arranged so as to avoid expensive paging faults. This method is potentially important for processing large volumes of radio metric data in the Deep Space Network.

  16. Stability and error estimation for Component Adaptive Grid methods

    NASA Technical Reports Server (NTRS)

    Oliger, Joseph; Zhu, Xiaolei

    1994-01-01

    Component adaptive grid (CAG) methods for solving hyperbolic partial differential equations (PDE's) are discussed in this paper. Applying recent stability results for a class of numerical methods on uniform grids. The convergence of these methods for linear problems on component adaptive grids is established here. Furthermore, the computational error can be estimated on CAG's using the stability results. Using these estimates, the error can be controlled on CAG's. Thus, the solution can be computed efficiently on CAG's within a given error tolerance. Computational results for time dependent linear problems in one and two space dimensions are presented.

  17. Non-unitary probabilistic quantum computing

    NASA Technical Reports Server (NTRS)

    Gingrich, Robert M.; Williams, Colin P.

    2004-01-01

    We present a method for designing quantum circuits that perform non-unitary quantum computations on n-qubit states probabilistically, and give analytic expressions for the success probability and fidelity.

  18. An efficient method for computation of the manipulator inertia matrix

    NASA Technical Reports Server (NTRS)

    Fijany, Amir; Bejczy, Antal K.

    1989-01-01

    An efficient method of computation of the manipulator inertia matrix is presented. Using spatial notations, the method leads to the definition of the composite rigid-body spatial inertia, which is a spatial representation of the notion of augmented body. The previously proposed methods, the physical interpretations leading to their derivation, and their redundancies are analyzed. The proposed method achieves a greater efficiency by eliminating the redundancy in the intrinsic equations as well as by a better choice of coordinate frame for their projection. In this case, removing the redundancy leads to greater efficiency of the computation in both serial and parallel senses.

  19. BCILAB: a platform for brain-computer interface development

    NASA Astrophysics Data System (ADS)

    Kothe, Christian Andreas; Makeig, Scott

    2013-10-01

    Objective. The past two decades have seen dramatic progress in our ability to model brain signals recorded by electroencephalography, functional near-infrared spectroscopy, etc., and to derive real-time estimates of user cognitive state, response, or intent for a variety of purposes: to restore communication by the severely disabled, to effect brain-actuated control and, more recently, to augment human-computer interaction. Continuing these advances, largely achieved through increases in computational power and methods, requires software tools to streamline the creation, testing, evaluation and deployment of new data analysis methods. Approach. Here we present BCILAB, an open-source MATLAB-based toolbox built to address the need for the development and testing of brain-computer interface (BCI) methods by providing an organized collection of over 100 pre-implemented methods and method variants, an easily extensible framework for the rapid prototyping of new methods, and a highly automated framework for systematic testing and evaluation of new implementations. Main results. To validate and illustrate the use of the framework, we present two sample analyses of publicly available data sets from recent BCI competitions and from a rapid serial visual presentation task. We demonstrate the straightforward use of BCILAB to obtain results compatible with the current BCI literature. Significance. The aim of the BCILAB toolbox is to provide the BCI community a powerful toolkit for methods research and evaluation, thereby helping to accelerate the pace of innovation in the field, while complementing the existing spectrum of tools for real-time BCI experimentation, deployment and use.

  20. Incorporating the gas analyzer response time in gas exchange computations.

    PubMed

    Mitchell, R R

    1979-11-01

    A simple method for including the gas analyzer response time in the breath-by-breath computation of gas exchange rates is described. The method uses a difference equation form of a model for the gas analyzer in the computation of oxygen uptake and carbon dioxide production and avoids a numerical differentiation required to correct the gas fraction wave forms. The effect of not accounting for analyzer response time is shown to be a 20% underestimation in gas exchange rate. The present method accurately measures gas exchange rate, is relatively insensitive to measurement errors in the analyzer time constant, and does not significantly increase the computation time.

  1. Quantum ring-polymer contraction method: Including nuclear quantum effects at no additional computational cost in comparison to ab initio molecular dynamics

    NASA Astrophysics Data System (ADS)

    John, Christopher; Spura, Thomas; Habershon, Scott; Kühne, Thomas D.

    2016-04-01

    We present a simple and accurate computational method which facilitates ab initio path-integral molecular dynamics simulations, where the quantum-mechanical nature of the nuclei is explicitly taken into account, at essentially no additional computational cost in comparison to the corresponding calculation using classical nuclei. The predictive power of the proposed quantum ring-polymer contraction method is demonstrated by computing various static and dynamic properties of liquid water at ambient conditions using density functional theory. This development will enable routine inclusion of nuclear quantum effects in ab initio molecular dynamics simulations of condensed-phase systems.

  2. A geometricla error in some Computer Programs based on the Aki-Christofferson-Husebye (ACH) Method of Teleseismic Tomography

    USGS Publications Warehouse

    Julian, B.R.; Evans, J.R.; Pritchard, M.J.; Foulger, G.R.

    2000-01-01

    Some computer programs based on the Aki-Christofferson-Husebye (ACH) method of teleseismic tomography contain an error caused by identifying local grid directions with azimuths on the spherical Earth. This error, which is most severe in high latitudes, introduces systematic errors into computed ray paths and distorts inferred Earth models. It is best dealt with by explicity correcting for the difference between true and grid directions. Methods for computing these directions are presented in this article and are likely to be useful in many other kinds of regional geophysical studies that use Cartesian coordinates and flat-earth approximations.

  3. Accuracy of Time Integration Approaches for Stiff Magnetohydrodynamics Problems

    NASA Astrophysics Data System (ADS)

    Knoll, D. A.; Chacon, L.

    2003-10-01

    The simulation of complex physical processes with multiple time scales presents a continuing challenge to the computational plasma physisist due to the co-existence of fast and slow time scales. Within computational plasma physics, practitioners have developed and used linearized methods, semi-implicit methods, and time splitting in an attempt to tackle such problems. All of these methods are understood to generate numerical error. We are currently developing algorithms which remove such error for MHD problems [1,2]. These methods do not rely on linearization or time splitting. We are also attempting to analyze the errors introduced by existing ``implicit'' methods using modified equation analysis (MEA) [3]. In this presentation we will briefly cover the major findings in [3]. We will then extend this work further into MHD. This analysis will be augmented with numerical experiments with the hope of gaining insight, particularly into how these errors accumulate over many time steps. [1] L. Chacon,. D.A. Knoll, J.M. Finn, J. Comput. Phys., vol. 178, pp. 15-36 (2002) [2] L. Chacon and D.A. Knoll, J. Comput. Phys., vol. 188, pp. 573-592 (2003) [3] D.A. Knoll , L. Chacon, L.G. Margolin, V.A. Mousseau, J. Comput. Phys., vol. 185, pp. 583-611 (2003)

  4. Prediction of Undsteady Flows in Turbomachinery Using the Linearized Euler Equations on Deforming Grids

    NASA Technical Reports Server (NTRS)

    Clark, William S.; Hall, Kenneth C.

    1994-01-01

    A linearized Euler solver for calculating unsteady flows in turbomachinery blade rows due to both incident gusts and blade motion is presented. The model accounts for blade loading, blade geometry, shock motion, and wake motion. Assuming that the unsteadiness in the flow is small relative to the nonlinear mean solution, the unsteady Euler equations can be linearized about the mean flow. This yields a set of linear variable coefficient equations that describe the small amplitude harmonic motion of the fluid. These linear equations are then discretized on a computational grid and solved using standard numerical techniques. For transonic flows, however, one must use a linear discretization which is a conservative linearization of the non-linear discretized Euler equations to ensure that shock impulse loads are accurately captured. Other important features of this analysis include a continuously deforming grid which eliminates extrapolation errors and hence, increases accuracy, and a new numerically exact, nonreflecting far-field boundary condition treatment based on an eigenanalysis of the discretized equations. Computational results are presented which demonstrate the computational accuracy and efficiency of the method and demonstrate the effectiveness of the deforming grid, far-field nonreflecting boundary conditions, and shock capturing techniques. A comparison of the present unsteady flow predictions to other numerical, semi-analytical, and experimental methods shows excellent agreement. In addition, the linearized Euler method presented requires one or two orders-of-magnitude less computational time than traditional time marching techniques making the present method a viable design tool for aeroelastic analyses.

  5. Method of mobile robot indoor navigation by artificial landmarks with use of computer vision

    NASA Astrophysics Data System (ADS)

    Glibin, E. S.; Shevtsov, A. A.; Enik, O. A.

    2018-05-01

    The article describes an algorithm of the mobile robot indoor navigation based on the use of visual odometry. The results of the experiment identifying calculation errors in the distance traveled on a slip are presented. It is shown that the use of computer vision allows one to correct erroneous coordinates of the robot with the help of artificial landmarks. The control system utilizing the proposed method has been realized on the basis of Arduino Mego 2560 controller and a single-board computer Raspberry Pi 3. The results of the experiment on the mobile robot navigation with the use of this control system are presented.

  6. Recent developments in rotary-wing aerodynamic theory

    NASA Technical Reports Server (NTRS)

    Johnson, W.

    1986-01-01

    Current progress in the computational analysis of rotary-wing flowfields is surveyed, and some typical results are presented in graphs. Topics examined include potential theory, rotating coordinate systems, lifting-surface theory (moving singularity, fixed wing, and rotary wing), panel methods (surface singularity representations, integral equations, and compressible flows), transonic theory (the small-disturbance equation), wake analysis (hovering rotor-wake models and transonic blade-vortex interaction), limitations on computational aerodynamics, and viscous-flow methods (dynamic-stall theories and lifting-line theory). It is suggested that the present algorithms and advanced computers make it possible to begin working toward the ultimate goal of turbulent Navier-Stokes calculations for an entire rotorcraft.

  7. A parallel-vector algorithm for rapid structural analysis on high-performance computers

    NASA Technical Reports Server (NTRS)

    Storaasli, Olaf O.; Nguyen, Duc T.; Agarwal, Tarun K.

    1990-01-01

    A fast, accurate Choleski method for the solution of symmetric systems of linear equations is presented. This direct method is based on a variable-band storage scheme and takes advantage of column heights to reduce the number of operations in the Choleski factorization. The method employs parallel computation in the outermost DO-loop and vector computation via the 'loop unrolling' technique in the innermost DO-loop. The method avoids computations with zeros outside the column heights, and as an option, zeros inside the band. The close relationship between Choleski and Gauss elimination methods is examined. The minor changes required to convert the Choleski code to a Gauss code to solve non-positive-definite symmetric systems of equations are identified. The results for two large-scale structural analyses performed on supercomputers, demonstrate the accuracy and speed of the method.

  8. A parallel-vector algorithm for rapid structural analysis on high-performance computers

    NASA Technical Reports Server (NTRS)

    Storaasli, Olaf O.; Nguyen, Duc T.; Agarwal, Tarun K.

    1990-01-01

    A fast, accurate Choleski method for the solution of symmetric systems of linear equations is presented. This direct method is based on a variable-band storage scheme and takes advantage of column heights to reduce the number of operations in the Choleski factorization. The method employs parallel computation in the outermost DO-loop and vector computation via the loop unrolling technique in the innermost DO-loop. The method avoids computations with zeros outside the column heights, and as an option, zeros inside the band. The close relationship between Choleski and Gauss elimination methods is examined. The minor changes required to convert the Choleski code to a Gauss code to solve non-positive-definite symmetric systems of equations are identified. The results for two large scale structural analyses performed on supercomputers, demonstrate the accuracy and speed of the method.

  9. Computational Algorithmization: Limitations in Problem Solving Skills in Computational Sciences Majors at University of Oriente

    ERIC Educational Resources Information Center

    Castillo, Antonio S.; Berenguer, Isabel A.; Sánchez, Alexander G.; Álvarez, Tomás R. R.

    2017-01-01

    This paper analyzes the results of a diagnostic study carried out with second year students of the computational sciences majors at University of Oriente, Cuba, to determine the limitations that they present in computational algorithmization. An exploratory research was developed using quantitative and qualitative methods. The results allowed…

  10. Computational Methods for Crashworthiness

    NASA Technical Reports Server (NTRS)

    Noor, Ahmed K. (Compiler); Carden, Huey D. (Compiler)

    1993-01-01

    Presentations and discussions from the joint UVA/NASA Workshop on Computational Methods for Crashworthiness held at Langley Research Center on 2-3 Sep. 1992 are included. The presentations addressed activities in the area of impact dynamics. Workshop attendees represented NASA, the Army and Air Force, the Lawrence Livermore and Sandia National Laboratories, the aircraft and automotive industries, and academia. The workshop objectives were to assess the state-of-technology in the numerical simulation of crash and to provide guidelines for future research.

  11. Methods for evaluating and ranking transportation energy conservation programs

    NASA Astrophysics Data System (ADS)

    Santone, L. C.

    1981-04-01

    The energy conservation programs are assessed in terms of petroleum savings, incremental costs to consumers probability of technical and market success, and external impacts due to environmental, economic, and social factors. Three ranking functions and a policy matrix are used to evaluate the programs. The net present value measure which computes the present worth of petroleum savings less the present worth of costs is modified by dividing by the present value of DOE funding to obtain a net present value per program dollar. The comprehensive ranking function takes external impacts into account. Procedures are described for making computations of the ranking functions and the attributes that require computation. Computations are made for the electric vehicle, Stirling engine, gas turbine, and MPG mileage guide program.

  12. VORSTAB: A computer program for calculating lateral-directional stability derivatives with vortex flow effect

    NASA Technical Reports Server (NTRS)

    Lan, C. Edward

    1985-01-01

    A computer program based on the Quasi-Vortex-Lattice Method of Lan is presented for calculating longitudinal and lateral-directional aerodynamic characteristics of nonplanar wing-body combination. The method is based on the assumption of inviscid subsonic flow. Both attached and vortex-separated flows are treated. For the vortex-separated flow, the calculation is based on the method of suction analogy. The effect of vortex breakdown is accounted for by an empirical method. A summary of the theoretical method, program capabilities, input format, output variables and program job control set-up are described. Three test cases are presented as guides for potential users of the code.

  13. Methods for computing color anaglyphs

    NASA Astrophysics Data System (ADS)

    McAllister, David F.; Zhou, Ya; Sullivan, Sophia

    2010-02-01

    A new computation technique is presented for calculating pixel colors in anaglyph images. The method depends upon knowing the RGB spectral distributions of the display device and the transmission functions of the filters in the viewing glasses. It requires the solution of a nonlinear least-squares program for each pixel in a stereo pair and is based on minimizing color distances in the CIEL*a*b* uniform color space. The method is compared with several techniques for computing anaglyphs including approximation in CIE space using the Euclidean and Uniform metrics, the Photoshop method and its variants, and a method proposed by Peter Wimmer. We also discuss the methods of desaturation and gamma correction for reducing retinal rivalry.

  14. Supervisors with Micros: Trends and Training Needs.

    ERIC Educational Resources Information Center

    Bryan, Leslie A., Jr.

    1986-01-01

    Results of a study conducted by Purdue University concerning the use of computers by supervisors in manufacturing firms are presented and discussed. Examines access to computers, minicomputers versus mainframes, training time on computers, replacement of staff, creation of personnel problems, and training methods. (CT)

  15. Computational methods for structural load and resistance modeling

    NASA Technical Reports Server (NTRS)

    Thacker, B. H.; Millwater, H. R.; Harren, S. V.

    1991-01-01

    An automated capability for computing structural reliability considering uncertainties in both load and resistance variables is presented. The computations are carried out using an automated Advanced Mean Value iteration algorithm (AMV +) with performance functions involving load and resistance variables obtained by both explicit and implicit methods. A complete description of the procedures used is given as well as several illustrative examples, verified by Monte Carlo Analysis. In particular, the computational methods described in the paper are shown to be quite accurate and efficient for a material nonlinear structure considering material damage as a function of several primitive random variables. The results show clearly the effectiveness of the algorithms for computing the reliability of large-scale structural systems with a maximum number of resolutions.

  16. Design of transonic airfoil sections using a similarity theory

    NASA Technical Reports Server (NTRS)

    Nixon, D.

    1978-01-01

    A study of the available methods for transonic airfoil and wing design indicates that the most powerful technique is the numerical optimization procedure. However, the computer time for this method is relatively large because of the amount of computation required in the searches during optimization. The optimization method requires that base and calibration solutions be computed to determine a minimum drag direction. The design space is then computationally searched in this direction; it is these searches that dominate the computation time. A recent similarity theory allows certain transonic flows to be calculated rapidly from the base and calibration solutions. In this paper the application of the similarity theory to design problems is examined with the object of at least partially eliminating the costly searches of the design optimization method. An example of an airfoil design is presented.

  17. An improved panel method for the solution of three-dimensional leading-edge vortex flows. Volume 1: Theory document

    NASA Technical Reports Server (NTRS)

    Johnson, F. T.; Lu, P.; Tinoco, E. N.

    1980-01-01

    An improved panel method for the solution of three dimensional flow and wing and wing-body combinations with leading edge vortex separation is presented. The method employs a three dimensional inviscid flow model in which the configuration, the rolled-up vortex sheets, and the wake are represented by quadratic doublet distributions. The strength of the singularity distribution as well as shape and position of the vortex spirals are computed in an iterative fashion starting with an assumed initial sheet geometry. The method calculates forces and moments as well as detail surface pressure distributions. Improvements include the implementation of improved panel numerics for the purpose of elimination the highly nonlinear effects of ring vortices around double panel edges, and the development of a least squares procedure for damping vortex sheet geometry update instabilities. A complete description of the method is included. A variety of cases generated by the computer program implementing the method are presented which verify the mathematical assumptions of the method and which compare computed results with experimental data to verify the underlying physical assumptions made by the method.

  18. Non-steady state modelling of wheel-rail contact problem

    NASA Astrophysics Data System (ADS)

    Guiral, A.; Alonso, A.; Baeza, L.; Giménez, J. G.

    2013-01-01

    Among all the algorithms to solve the wheel-rail contact problem, Kalker's FastSim has become the most useful computation tool since it combines a low computational cost and enough precision for most of the typical railway dynamics problems. However, some types of dynamic problems require the use of a non-steady state analysis. Alonso and Giménez developed a non-stationary method based on FastSim, which provides both, sufficiently accurate results and a low computational cost. However, it presents some limitations; the method is developed for one time-dependent creepage and its accuracy for varying normal forces has not been checked. This article presents the required changes in order to deal with both problems and compares its results with those given by Kalker's Variational Method for rolling contact.

  19. Transonic CFD applications at Boeing

    NASA Technical Reports Server (NTRS)

    Tinoco, E. N.

    1989-01-01

    The use of computational methods for three dimensional transonic flow design and analysis at the Boeing Company is presented. A range of computational tools consisting of production tools for every day use by project engineers, expert user tools for special applications by computational researchers, and an emerging tool which may see considerable use in the near future are described. These methods include full potential and Euler solvers, some coupled to three dimensional boundary layer analysis methods, for transonic flow analysis about nacelle, wing-body, wing-body-strut-nacelle, and complete aircraft configurations. As the examples presented show, such a toolbox of codes is necessary for the variety of applications typical of an industrial environment. Such a toolbox of codes makes possible aerodynamic advances not previously achievable in a timely manner, if at all.

  20. Compression of magnetized target in the magneto-inertial fusion

    NASA Astrophysics Data System (ADS)

    Kuzenov, V. V.

    2017-12-01

    This paper presents a mathematical model, numerical method and results of the computer analysis of the compression process and the energy transfer in the target plasma, used in magneto-inertial fusion. The computer simulation of the compression process of magnetized cylindrical target by high-power laser pulse is presented.

  1. Tableau Economique: Teaching Economics with a Tablet Computer

    ERIC Educational Resources Information Center

    Scott, Robert H., III

    2011-01-01

    The typical method of instruction in economics is chalk and talk. Economics courses often require writing equations and drawing graphs and charts, which are all best done in freehand. Unlike static PowerPoint presentations, tablet computers create dynamic nonlinear presentations. Wireless technology allows professors to write on their tablets and…

  2. Evolution of computational chemistry, the "launch pad" to scientific computational models: The early days from a personal account, the present status from the TACC-2012 congress, and eventual future applications from the global simulation approach

    NASA Astrophysics Data System (ADS)

    Clementi, Enrico

    2012-06-01

    This is the introductory chapter to the AIP Proceedings volume "Theory and Applications of Computational Chemistry: The First Decade of the Second Millennium" where we discuss the evolution of "computational chemistry". Very early variational computational chemistry developments are reported in Sections 1 to 7, and 11, 12 by recalling some of the computational chemistry contributions by the author and his collaborators (from late 1950 to mid 1990); perturbation techniques are not considered in this already extended work. Present day's computational chemistry is partly considered in Sections 8 to 10 where more recent studies by the author and his collaborators are discussed, including the Hartree-Fock-Heitler-London method; a more general discussion on present day computational chemistry is presented in Section 14. The following chapters of this AIP volume provide a view of modern computational chemistry. Future computational chemistry developments can be extrapolated from the chapters of this AIP volume; further, in Sections 13 and 15 present an overall analysis on computational chemistry, obtained from the Global Simulation approach, by considering the evolution of scientific knowledge confronted with the opportunities offered by modern computers.

  3. Computer-Aided Diagnosis of Acute Lymphoblastic Leukaemia

    PubMed Central

    2018-01-01

    Leukaemia is a form of blood cancer which affects the white blood cells and damages the bone marrow. Usually complete blood count (CBC) and bone marrow aspiration are used to diagnose the acute lymphoblastic leukaemia. It can be a fatal disease if not diagnosed at the earlier stage. In practice, manual microscopic evaluation of stained sample slide is used for diagnosis of leukaemia. But manual diagnostic methods are time-consuming, less accurate, and prone to errors due to various human factors like stress, fatigue, and so forth. Therefore, different automated systems have been proposed to wrestle the glitches in the manual diagnostic methods. In recent past, some computer-aided leukaemia diagnosis methods are presented. These automated systems are fast, reliable, and accurate as compared to manual diagnosis methods. This paper presents review of computer-aided diagnosis systems regarding their methodologies that include enhancement, segmentation, feature extraction, classification, and accuracy. PMID:29681996

  4. Fault-tolerant clock synchronization validation methodology. [in computer systems

    NASA Technical Reports Server (NTRS)

    Butler, Ricky W.; Palumbo, Daniel L.; Johnson, Sally C.

    1987-01-01

    A validation method for the synchronization subsystem of a fault-tolerant computer system is presented. The high reliability requirement of flight-crucial systems precludes the use of most traditional validation methods. The method presented utilizes formal design proof to uncover design and coding errors and experimentation to validate the assumptions of the design proof. The experimental method is described and illustrated by validating the clock synchronization system of the Software Implemented Fault Tolerance computer. The design proof of the algorithm includes a theorem that defines the maximum skew between any two nonfaulty clocks in the system in terms of specific system parameters. Most of these parameters are deterministic. One crucial parameter is the upper bound on the clock read error, which is stochastic. The probability that this upper bound is exceeded is calculated from data obtained by the measurement of system parameters. This probability is then included in a detailed reliability analysis of the system.

  5. Sensitivity Analysis for Coupled Aero-structural Systems

    NASA Technical Reports Server (NTRS)

    Giunta, Anthony A.

    1999-01-01

    A novel method has been developed for calculating gradients of aerodynamic force and moment coefficients for an aeroelastic aircraft model. This method uses the Global Sensitivity Equations (GSE) to account for the aero-structural coupling, and a reduced-order modal analysis approach to condense the coupling bandwidth between the aerodynamic and structural models. Parallel computing is applied to reduce the computational expense of the numerous high fidelity aerodynamic analyses needed for the coupled aero-structural system. Good agreement is obtained between aerodynamic force and moment gradients computed with the GSE/modal analysis approach and the same quantities computed using brute-force, computationally expensive, finite difference approximations. A comparison between the computational expense of the GSE/modal analysis method and a pure finite difference approach is presented. These results show that the GSE/modal analysis approach is the more computationally efficient technique if sensitivity analysis is to be performed for two or more aircraft design parameters.

  6. A computer-controlled scintiscanning system and associated computer graphic techniques for study of regional distribution of blood flow.

    NASA Technical Reports Server (NTRS)

    Coulam, C. M.; Dunnette, W. H.; Wood, E. H.

    1970-01-01

    Two methods whereby a digital computer may be used to regulate a scintiscanning process are discussed from the viewpoint of computer input-output software. The computer's function, in this case, is to govern the data acquisition and storage, and to display the results to the investigator in a meaningful manner, both during and subsequent to the scanning process. Several methods (such as three-dimensional maps, contour plots, and wall-reflection maps) have been developed by means of which the computer can graphically display the data on-line, for real-time monitoring purposes, during the scanning procedure and subsequently for detailed analysis of the data obtained. A computer-governed method for converting scintiscan data recorded over the dorsal or ventral surfaces of the thorax into fractions of pulmonary blood flow traversing the right and left lungs is presented.

  7. CFD Analysis and Design Optimization Using Parallel Computers

    NASA Technical Reports Server (NTRS)

    Martinelli, Luigi; Alonso, Juan Jose; Jameson, Antony; Reuther, James

    1997-01-01

    A versatile and efficient multi-block method is presented for the simulation of both steady and unsteady flow, as well as aerodynamic design optimization of complete aircraft configurations. The compressible Euler and Reynolds Averaged Navier-Stokes (RANS) equations are discretized using a high resolution scheme on body-fitted structured meshes. An efficient multigrid implicit scheme is implemented for time-accurate flow calculations. Optimum aerodynamic shape design is achieved at very low cost using an adjoint formulation. The method is implemented on parallel computing systems using the MPI message passing interface standard to ensure portability. The results demonstrate that, by combining highly efficient algorithms with parallel computing, it is possible to perform detailed steady and unsteady analysis as well as automatic design for complex configurations using the present generation of parallel computers.

  8. Use of CAD Geometry in MDO

    NASA Technical Reports Server (NTRS)

    Samareh, Jamshid A.

    1996-01-01

    The purpose of this paper is to discuss the use of Computer-Aided Design (CAD) geometry in a Multi-Disciplinary Design Optimization (MDO) environment. Two techniques are presented to facilitate the use of CAD geometry by different disciplines, such as Computational Fluid Dynamics (CFD) and Computational Structural Mechanics (CSM). One method is to transfer the load from a CFD grid to a CSM grid. The second method is to update the CAD geometry for CSM deflection.

  9. Numerical methods in acoustics

    NASA Astrophysics Data System (ADS)

    Candel, S. M.

    This paper presents a survey of some computational techniques applicable to acoustic wave problems. Recent advances in wave extrapolation methods, spectral methods and boundary integral methods are discussed and illustrated by specific calculations.

  10. High Performance Computing of Meshless Time Domain Method on Multi-GPU Cluster

    NASA Astrophysics Data System (ADS)

    Ikuno, Soichiro; Nakata, Susumu; Hirokawa, Yuta; Itoh, Taku

    2015-01-01

    High performance computing of Meshless Time Domain Method (MTDM) on multi-GPU using the supercomputer HA-PACS (Highly Accelerated Parallel Advanced system for Computational Sciences) at University of Tsukuba is investigated. Generally, the finite difference time domain (FDTD) method is adopted for the numerical simulation of the electromagnetic wave propagation phenomena. However, the numerical domain must be divided into rectangle meshes, and it is difficult to adopt the problem in a complexed domain to the method. On the other hand, MTDM can be easily adept to the problem because MTDM does not requires meshes. In the present study, we implement MTDM on multi-GPU cluster to speedup the method, and numerically investigate the performance of the method on multi-GPU cluster. To reduce the computation time, the communication time between the decomposed domain is hided below the perfect matched layer (PML) calculation procedure. The results of computation show that speedup of MTDM on 128 GPUs is 173 times faster than that of single CPU calculation.

  11. Experimental and computational flow-field results for an all-body hypersonic aircraft

    NASA Technical Reports Server (NTRS)

    Cleary, Joseph W.

    1989-01-01

    A comprehensive test program is defined which is being implemented in the NASA/Ames 3.5 foot Hypersonic Wind Tunnel for obtaining data on a generic all-body hypersonic vehicle for computational fluid dynamics (CFD) code validation. Computational methods (approximate inviscid methods and an upwind parabolized Navier-Stokes code) currently being applied to the all-body model are outlined. Experimental and computational results on surface pressure distributions and Pitot-pressure surveys for the basic sharp-nose model (without control surfaces) at a free-stream Mach number of 7 are presented.

  12. A comparative trial of paper-and-pencil versus computer administration of the Quality of Life in Reflux and Dyspepsia (QOLRAD) questionnaire.

    PubMed

    Kleinman, L; Leidy, N K; Crawley, J; Bonomi, A; Schoenfeld, P

    2001-02-01

    Although most health-related quality of life questionnaires are self-administered by means of paper and pencil, new technologies for automated computer administration are becoming more readily available. Novel methods of instrument administration must be assessed for score equivalence in addition to consistency in reliability and validity. The present study compared the psychometric characteristics (score equivalence and structure, internal consistency, and reproducibility reliability and construct validity) of the Quality of Life in Reflux And Dyspepsia (QOLRAD) questionnaire when self-administered by means of paper and pencil versus touch-screen computer. The influence of age, education, and prior experience with computers on score equivalence was also examined. This crossover trial randomized 134 patients with gastroesophageal reflux disease to 1 of 2 groups: paper-and-pencil questionnaire administration followed by computer administration or computer administration followed by use of paper and pencil. To minimize learning effects and respondent fatigue, administrations were scheduled 3 days apart. A random sample of 32 patients participated in a 1-week reproducibility evaluation of the computer-administered QOLRAD. QOLRAD scores were equivalent across the 2 methods of administration regardless of subject age, education, and prior computer use. Internal consistency levels were very high (alpha = 0.93-0.99). Interscale correlations were strong and generally consistent across methods (r = 0.7-0.87). Correlations between the QOLRAD and Short Form 36 (SF-36) were high, with no significant differences by method. Test-retest reliability of the computer-administered QOLRAD was also very high (ICC = 0.93-0.96). Results of the present study suggest that the QOLRAD is reliable and valid when self-administered by means of computer touch-screen or paper and pencil.

  13. Accuracy and speed in computing the Chebyshev collocation derivative

    NASA Technical Reports Server (NTRS)

    Don, Wai-Sun; Solomonoff, Alex

    1991-01-01

    We studied several algorithms for computing the Chebyshev spectral derivative and compare their roundoff error. For a large number of collocation points, the elements of the Chebyshev differentiation matrix, if constructed in the usual way, are not computed accurately. A subtle cause is is found to account for the poor accuracy when computing the derivative by the matrix-vector multiplication method. Methods for accurately computing the elements of the matrix are presented, and we find that if the entities of the matrix are computed accurately, the roundoff error of the matrix-vector multiplication is as small as that of the transform-recursion algorithm. Results of CPU time usage are shown for several different algorithms for computing the derivative by the Chebyshev collocation method for a wide variety of two-dimensional grid sizes on both an IBM and a Cray 2 computer. We found that which algorithm is fastest on a particular machine depends not only on the grid size, but also on small details of the computer hardware as well. For most practical grid sizes used in computation, the even-odd decomposition algorithm is found to be faster than the transform-recursion method.

  14. Two pass method and radiation interchange processing when applied to thermal-structural analysis of large space truss structures

    NASA Technical Reports Server (NTRS)

    Warren, Andrew H.; Arelt, Joseph E.; Lalicata, Anthony L.; Rogers, Karen M.

    1993-01-01

    A method of efficient and automated thermal-structural processing of very large space structures is presented. The method interfaces the finite element and finite difference techniques. It also results in a pronounced reduction of the quantity of computations, computer resources and manpower required for the task, while assuring the desired accuracy of the results.

  15. Response Surface Model Building Using Orthogonal Arrays for Computer Experiments

    NASA Technical Reports Server (NTRS)

    Unal, Resit; Braun, Robert D.; Moore, Arlene A.; Lepsch, Roger A.

    1997-01-01

    This study investigates response surface methods for computer experiments and discusses some of the approaches available. Orthogonal arrays constructed for computer experiments are studied and an example application to a technology selection and optimization study for a reusable launch vehicle is presented.

  16. The multifacet graphically contracted function method. I. Formulation and implementation

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

    Shepard, Ron; Brozell, Scott R.; Gidofalvi, Gergely

    2014-08-14

    The basic formulation for the multifacet generalization of the graphically contracted function (MFGCF) electronic structure method is presented. The analysis includes the discussion of linear dependency and redundancy of the arc factor parameters, the computation of reduced density matrices, Hamiltonian matrix construction, spin-density matrix construction, the computation of optimization gradients for single-state and state-averaged calculations, graphical wave function analysis, and the efficient computation of configuration state function and Slater determinant expansion coefficients. Timings are given for Hamiltonian matrix element and analytic optimization gradient computations for a range of model problems for full-CI Shavitt graphs, and it is observed that bothmore » the energy and the gradient computation scale as O(N{sup 2}n{sup 4}) for N electrons and n orbitals. The important arithmetic operations are within dense matrix-matrix product computational kernels, resulting in a computationally efficient procedure. An initial implementation of the method is used to present applications to several challenging chemical systems, including N{sub 2} dissociation, cubic H{sub 8} dissociation, the symmetric dissociation of H{sub 2}O, and the insertion of Be into H{sub 2}. The results are compared to the exact full-CI values and also to those of the previous single-facet GCF expansion form.« less

  17. Computational techniques for ECG analysis and interpretation in light of their contribution to medical advances

    PubMed Central

    Mincholé, Ana; Martínez, Juan Pablo; Laguna, Pablo; Rodriguez, Blanca

    2018-01-01

    Widely developed for clinical screening, electrocardiogram (ECG) recordings capture the cardiac electrical activity from the body surface. ECG analysis can therefore be a crucial first step to help diagnose, understand and predict cardiovascular disorders responsible for 30% of deaths worldwide. Computational techniques, and more specifically machine learning techniques and computational modelling are powerful tools for classification, clustering and simulation, and they have recently been applied to address the analysis of medical data, especially ECG data. This review describes the computational methods in use for ECG analysis, with a focus on machine learning and 3D computer simulations, as well as their accuracy, clinical implications and contributions to medical advances. The first section focuses on heartbeat classification and the techniques developed to extract and classify abnormal from regular beats. The second section focuses on patient diagnosis from whole recordings, applied to different diseases. The third section presents real-time diagnosis and applications to wearable devices. The fourth section highlights the recent field of personalized ECG computer simulations and their interpretation. Finally, the discussion section outlines the challenges of ECG analysis and provides a critical assessment of the methods presented. The computational methods reported in this review are a strong asset for medical discoveries and their translation to the clinical world may lead to promising advances. PMID:29321268

  18. Hamiltonian lattice field theory: Computer calculations using variational methods

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

    Zako, Robert L.

    1991-12-03

    I develop a variational method for systematic numerical computation of physical quantities -- bound state energies and scattering amplitudes -- in quantum field theory. An infinite-volume, continuum theory is approximated by a theory on a finite spatial lattice, which is amenable to numerical computation. I present an algorithm for computing approximate energy eigenvalues and eigenstates in the lattice theory and for bounding the resulting errors. I also show how to select basis states and choose variational parameters in order to minimize errors. The algorithm is based on the Rayleigh-Ritz principle and Kato`s generalizations of Temple`s formula. The algorithm could bemore » adapted to systems such as atoms and molecules. I show how to compute Green`s functions from energy eigenvalues and eigenstates in the lattice theory, and relate these to physical (renormalized) coupling constants, bound state energies and Green`s functions. Thus one can compute approximate physical quantities in a lattice theory that approximates a quantum field theory with specified physical coupling constants. I discuss the errors in both approximations. In principle, the errors can be made arbitrarily small by increasing the size of the lattice, decreasing the lattice spacing and computing sufficiently long. Unfortunately, I do not understand the infinite-volume and continuum limits well enough to quantify errors due to the lattice approximation. Thus the method is currently incomplete. I apply the method to real scalar field theories using a Fock basis of free particle states. All needed quantities can be calculated efficiently with this basis. The generalization to more complicated theories is straightforward. I describe a computer implementation of the method and present numerical results for simple quantum mechanical systems.« less

  19. Computer design of porous active materials at different dimensional scales

    NASA Astrophysics Data System (ADS)

    Nasedkin, Andrey

    2017-12-01

    The paper presents a mathematical and computer modeling of effective properties of porous piezoelectric materials of three types: with ordinary porosity, with metallized pore surfaces, and with nanoscale porosity structure. The described integrated approach includes the effective moduli method of composite mechanics, simulation of representative volumes, and finite element method.

  20. A Computer Game-Based Method for Studying Bullying and Cyberbullying

    ERIC Educational Resources Information Center

    Mancilla-Caceres, Juan F.; Espelage, Dorothy; Amir, Eyal

    2015-01-01

    Even though previous studies have addressed the relation between face-to-face bullying and cyberbullying, none have studied both phenomena simultaneously. In this article, we present a computer game-based method to study both types of peer aggression among youth. Study participants included fifth graders (N = 93) in two U.S. Midwestern middle…

  1. Sleep Better at Night...Back Up Your Data.

    ERIC Educational Resources Information Center

    Smith, Russell

    1996-01-01

    Discusses the need to back up computer files, and describes the technological evolution of back-up methods. Reviews tape drive and external hard drive back-up products offered by computer companies and presents back-up strategies to use with all back-up methods. A sidebar lists information on the reviewed products. (JMV)

  2. A Computer Algebra Approach to Solving Chemical Equilibria in General Chemistry

    ERIC Educational Resources Information Center

    Kalainoff, Melinda; Lachance, Russ; Riegner, Dawn; Biaglow, Andrew

    2012-01-01

    In this article, we report on a semester-long study of the incorporation into our general chemistry course, of advanced algebraic and computer algebra techniques for solving chemical equilibrium problems. The method presented here is an alternative to the commonly used concentration table method for describing chemical equilibria in general…

  3. A Computational Methodology to Screen Activities of Enzyme Variants

    PubMed Central

    Hediger, Martin R.; De Vico, Luca; Svendsen, Allan; Besenmatter, Werner; Jensen, Jan H.

    2012-01-01

    We present a fast computational method to efficiently screen enzyme activity. In the presented method, the effect of mutations on the barrier height of an enzyme-catalysed reaction can be computed within 24 hours on roughly 10 processors. The methodology is based on the PM6 and MOZYME methods as implemented in MOPAC2009, and is tested on the first step of the amide hydrolysis reaction catalyzed by the Candida Antarctica lipase B (CalB) enzyme. The barrier heights are estimated using adiabatic mapping and shown to give barrier heights to within 3 kcal/mol of B3LYP/6-31G(d)//RHF/3-21G results for a small model system. Relatively strict convergence criteria (0.5 kcal/(molÅ)), long NDDO cutoff distances within the MOZYME method (15 Å) and single point evaluations using conventional PM6 are needed for reliable results. The generation of mutant structures and subsequent setup of the semiempirical calculations are automated so that the effect on barrier heights can be estimated for hundreds of mutants in a matter of weeks using high performance computing. PMID:23284627

  4. 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.

  5. Controlled Ecological Life Support System: Regenerative Life Support Systems in Space

    NASA Technical Reports Server (NTRS)

    Macelroy, Robert D.; Smernoff, David T.

    1987-01-01

    A wide range of topics related to the extended support of humans in space are covered. Overviews of research conducted in Japan, Europe, and the U.S. are presented. The methods and technologies required to recycle materials, especially respiratory gases, within a closed system are examined. Also presented are issues related to plant and algal productivity, efficiency, and processing methods. Computer simulation of closed systems, discussions of radiation effects on systems stability, and modeling of a computer bioregenerative system are also covered.

  6. Multi-objective reverse logistics model for integrated computer waste management.

    PubMed

    Ahluwalia, Poonam Khanijo; Nema, Arvind K

    2006-12-01

    This study aimed to address the issues involved in the planning and design of a computer waste management system in an integrated manner. A decision-support tool is presented for selecting an optimum configuration of computer waste management facilities (segregation, storage, treatment/processing, reuse/recycle and disposal) and allocation of waste to these facilities. The model is based on an integer linear programming method with the objectives of minimizing environmental risk as well as cost. The issue of uncertainty in the estimated waste quantities from multiple sources is addressed using the Monte Carlo simulation technique. An illustrated example of computer waste management in Delhi, India is presented to demonstrate the usefulness of the proposed model and to study tradeoffs between cost and risk. The results of the example problem show that it is possible to reduce the environmental risk significantly by a marginal increase in the available cost. The proposed model can serve as a powerful tool to address the environmental problems associated with exponentially growing quantities of computer waste which are presently being managed using rudimentary methods of reuse, recovery and disposal by various small-scale vendors.

  7. Compact Method for Modeling and Simulation of Memristor Devices

    DTIC Science & Technology

    2011-08-01

    single-valued equations. 15. SUBJECT TERMS Memristor, Neuromorphic , Cognitive, Computing, Memory, Emerging Technology, Computational Intelligence 16...resistance state depends on its previous state and present electrical biasing conditions, and when combined with transistors in a hybrid chip ...computers, reconfigurable electronics and neuromorphic computing [3,4]. According to Chua [4], the memristor behaves like a linear resistor with

  8. Quantum chemical methods for the investigation of photoinitiated processes in biological systems: theory and applications.

    PubMed

    Dreuw, Andreas

    2006-11-13

    With the advent of modern computers and advances in the development of efficient quantum chemical computer codes, the meaningful computation of large molecular systems at a quantum mechanical level became feasible. Recent experimental effort to understand photoinitiated processes in biological systems, for instance photosynthesis or vision, at a molecular level also triggered theoretical investigations in this field. In this Minireview, standard quantum chemical methods are presented that are applicable and recently used for the calculation of excited states of photoinitiated processes in biological molecular systems. These methods comprise configuration interaction singles, the complete active space self-consistent field method, and time-dependent density functional theory and its variants. Semiempirical approaches are also covered. Their basic theoretical concepts and mathematical equations are briefly outlined, and their properties and limitations are discussed. Recent successful applications of the methods to photoinitiated processes in biological systems are described and theoretical tools for the analysis of excited states are presented.

  9. Generalized theoretical method for the interaction between arbitrary nonuniform electric field and molecular vibrations: Toward near-field infrared spectroscopy and microscopy

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

    Iwasa, Takeshi, E-mail: tiwasa@mail.sci.hokudai.ac.jp; Takenaka, Masato; Taketsugu, Tetsuya

    A theoretical method to compute infrared absorption spectra when a molecule is interacting with an arbitrary nonuniform electric field such as near-fields is developed and numerically applied to simple model systems. The method is based on the multipolar Hamiltonian where the light-matter interaction is described by a spatial integral of the inner product of the molecular polarization and applied electric field. The computation scheme is developed under the harmonic approximation for the molecular vibrations and the framework of modern electronic structure calculations such as the density functional theory. Infrared reflection absorption and near-field infrared absorption are considered as model systems.more » The obtained IR spectra successfully reflect the spatial structure of the applied electric field and corresponding vibrational modes, demonstrating applicability of the present method to analyze modern nanovibrational spectroscopy using near-fields. The present method can use arbitral electric fields and thus can integrate two fields such as computational chemistry and electromagnetics.« less

  10. Generalized theoretical method for the interaction between arbitrary nonuniform electric field and molecular vibrations: Toward near-field infrared spectroscopy and microscopy.

    PubMed

    Iwasa, Takeshi; Takenaka, Masato; Taketsugu, Tetsuya

    2016-03-28

    A theoretical method to compute infrared absorption spectra when a molecule is interacting with an arbitrary nonuniform electric field such as near-fields is developed and numerically applied to simple model systems. The method is based on the multipolar Hamiltonian where the light-matter interaction is described by a spatial integral of the inner product of the molecular polarization and applied electric field. The computation scheme is developed under the harmonic approximation for the molecular vibrations and the framework of modern electronic structure calculations such as the density functional theory. Infrared reflection absorption and near-field infrared absorption are considered as model systems. The obtained IR spectra successfully reflect the spatial structure of the applied electric field and corresponding vibrational modes, demonstrating applicability of the present method to analyze modern nanovibrational spectroscopy using near-fields. The present method can use arbitral electric fields and thus can integrate two fields such as computational chemistry and electromagnetics.

  11. Decomposition of Magnetic Field Boundary Conditions into Parts Produced by Internal and External Sources

    NASA Astrophysics Data System (ADS)

    Lazanja, David; Boozer, Allen

    2006-10-01

    Given the total magnetic field on a toroidal plasma surface, a method for decomposing the field into a part due to internal currents (often the plasma) and a part due to external currents is presented. The method exploits Laplace theory which is valid in the vacuum region between the plasma surface and the chamber walls. The method is developed for the full three dimensional case which is necessary for studying stellarator plasma configurations. A change in the plasma shape is produced by the total normal field perturbation on the plasma surface. This method allows a separation of the total normal field perturbation into a part produced by external currents and a part produced by the plasma response. There are immediate applications to coil design. The computational procedure is based on Merkel's 1986 work on vacuum field computations. Several test cases are presented for toroidal surfaces which verify the method and computational robustness of the code.

  12. A scalable parallel black oil simulator on distributed memory parallel computers

    NASA Astrophysics Data System (ADS)

    Wang, Kun; Liu, Hui; Chen, Zhangxin

    2015-11-01

    This paper presents our work on developing a parallel black oil simulator for distributed memory computers based on our in-house parallel platform. The parallel simulator is designed to overcome the performance issues of common simulators that are implemented for personal computers and workstations. The finite difference method is applied to discretize the black oil model. In addition, some advanced techniques are employed to strengthen the robustness and parallel scalability of the simulator, including an inexact Newton method, matrix decoupling methods, and algebraic multigrid methods. A new multi-stage preconditioner is proposed to accelerate the solution of linear systems from the Newton methods. Numerical experiments show that our simulator is scalable and efficient, and is capable of simulating extremely large-scale black oil problems with tens of millions of grid blocks using thousands of MPI processes on parallel computers.

  13. Parallelized Stochastic Cutoff Method for Long-Range Interacting Systems

    NASA Astrophysics Data System (ADS)

    Endo, Eishin; Toga, Yuta; Sasaki, Munetaka

    2015-07-01

    We present a method of parallelizing the stochastic cutoff (SCO) method, which is a Monte-Carlo method for long-range interacting systems. After interactions are eliminated by the SCO method, we subdivide a lattice into noninteracting interpenetrating sublattices. This subdivision enables us to parallelize the Monte-Carlo calculation in the SCO method. Such subdivision is found by numerically solving the vertex coloring of a graph created by the SCO method. We use an algorithm proposed by Kuhn and Wattenhofer to solve the vertex coloring by parallel computation. This method was applied to a two-dimensional magnetic dipolar system on an L × L square lattice to examine its parallelization efficiency. The result showed that, in the case of L = 2304, the speed of computation increased about 102 times by parallel computation with 288 processors.

  14. A finite element method to compute three-dimensional equilibrium configurations of fluid membranes: Optimal parameterization, variational formulation and applications

    NASA Astrophysics Data System (ADS)

    Rangarajan, Ramsharan; Gao, Huajian

    2015-09-01

    We introduce a finite element method to compute equilibrium configurations of fluid membranes, identified as stationary points of a curvature-dependent bending energy functional under certain geometric constraints. The reparameterization symmetries in the problem pose a challenge in designing parametric finite element methods, and existing methods commonly resort to Lagrange multipliers or penalty parameters. In contrast, we exploit these symmetries by representing solution surfaces as normal offsets of given reference surfaces and entirely bypass the need for artificial constraints. We then resort to a Galerkin finite element method to compute discrete C1 approximations of the normal offset coordinate. The variational framework presented is suitable for computing deformations of three-dimensional membranes subject to a broad range of external interactions. We provide a systematic algorithm for computing large deformations, wherein solutions at subsequent load steps are identified as perturbations of previously computed ones. We discuss the numerical implementation of the method in detail and demonstrate its optimal convergence properties using examples. We discuss applications of the method to studying adhesive interactions of fluid membranes with rigid substrates and to investigate the influence of membrane tension in tether formation.

  15. Computation of Engine Noise Propagation and Scattering Off an Aircraft

    NASA Technical Reports Server (NTRS)

    Xu, J.; Stanescu, D.; Hussaini, M. Y.; Farassat, F.

    2003-01-01

    The paper presents a comparison of experimental noise data measured in flight on a two-engine business jet aircraft with Kulite microphones placed on the suction surface of the wing with computational results. Both a time-domain discontinuous Galerkin spectral method and a frequency-domain spectral element method are used to simulate the radiation of the dominant spinning mode from the engine and its reflection and scattering by the fuselage and the wing. Both methods are implemented in computer codes that use the distributed memory model to make use of large parallel architectures. The results show that trends of the noise field are well predicted by both methods.

  16. High-Throughput Thermodynamic Modeling and Uncertainty Quantification for ICME

    NASA Astrophysics Data System (ADS)

    Otis, Richard A.; Liu, Zi-Kui

    2017-05-01

    One foundational component of the integrated computational materials engineering (ICME) and Materials Genome Initiative is the computational thermodynamics based on the calculation of phase diagrams (CALPHAD) method. The CALPHAD method pioneered by Kaufman has enabled the development of thermodynamic, atomic mobility, and molar volume databases of individual phases in the full space of temperature, composition, and sometimes pressure for technologically important multicomponent engineering materials, along with sophisticated computational tools for using the databases. In this article, our recent efforts will be presented in terms of developing new computational tools for high-throughput modeling and uncertainty quantification based on high-throughput, first-principles calculations and the CALPHAD method along with their potential propagations to downstream ICME modeling and simulations.

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

    Biyikli, Emre; To, Albert C., E-mail: albertto@pitt.edu

    Atomistic/continuum coupling methods combine accurate atomistic methods and efficient continuum methods to simulate the behavior of highly ordered crystalline systems. Coupled methods utilize the advantages of both approaches to simulate systems at a lower computational cost, while retaining the accuracy associated with atomistic methods. Many concurrent atomistic/continuum coupling methods have been proposed in the past; however, their true computational efficiency has not been demonstrated. The present work presents an efficient implementation of a concurrent coupling method called the Multiresolution Molecular Mechanics (MMM) for serial, parallel, and adaptive analysis. First, we present the features of the software implemented along with themore » associated technologies. The scalability of the software implementation is demonstrated, and the competing effects of multiscale modeling and parallelization are discussed. Then, the algorithms contributing to the efficiency of the software are presented. These include algorithms for eliminating latent ghost atoms from calculations and measurement-based dynamic balancing of parallel workload. The efficiency improvements made by these algorithms are demonstrated by benchmark tests. The efficiency of the software is found to be on par with LAMMPS, a state-of-the-art Molecular Dynamics (MD) simulation code, when performing full atomistic simulations. Speed-up of the MMM method is shown to be directly proportional to the reduction of the number of the atoms visited in force computation. Finally, an adaptive MMM analysis on a nanoindentation problem, containing over a million atoms, is performed, yielding an improvement of 6.3–8.5 times in efficiency, over the full atomistic MD method. For the first time, the efficiency of a concurrent atomistic/continuum coupling method is comprehensively investigated and demonstrated.« less

  18. Multiresolution molecular mechanics: Implementation and efficiency

    NASA Astrophysics Data System (ADS)

    Biyikli, Emre; To, Albert C.

    2017-01-01

    Atomistic/continuum coupling methods combine accurate atomistic methods and efficient continuum methods to simulate the behavior of highly ordered crystalline systems. Coupled methods utilize the advantages of both approaches to simulate systems at a lower computational cost, while retaining the accuracy associated with atomistic methods. Many concurrent atomistic/continuum coupling methods have been proposed in the past; however, their true computational efficiency has not been demonstrated. The present work presents an efficient implementation of a concurrent coupling method called the Multiresolution Molecular Mechanics (MMM) for serial, parallel, and adaptive analysis. First, we present the features of the software implemented along with the associated technologies. The scalability of the software implementation is demonstrated, and the competing effects of multiscale modeling and parallelization are discussed. Then, the algorithms contributing to the efficiency of the software are presented. These include algorithms for eliminating latent ghost atoms from calculations and measurement-based dynamic balancing of parallel workload. The efficiency improvements made by these algorithms are demonstrated by benchmark tests. The efficiency of the software is found to be on par with LAMMPS, a state-of-the-art Molecular Dynamics (MD) simulation code, when performing full atomistic simulations. Speed-up of the MMM method is shown to be directly proportional to the reduction of the number of the atoms visited in force computation. Finally, an adaptive MMM analysis on a nanoindentation problem, containing over a million atoms, is performed, yielding an improvement of 6.3-8.5 times in efficiency, over the full atomistic MD method. For the first time, the efficiency of a concurrent atomistic/continuum coupling method is comprehensively investigated and demonstrated.

  19. Extension of a streamwise upwind algorithm to a moving grid system

    NASA Technical Reports Server (NTRS)

    Obayashi, Shigeru; Goorjian, Peter M.; Guruswamy, Guru P.

    1990-01-01

    A new streamwise upwind algorithm was derived to compute unsteady flow fields with the use of a moving-grid system. The temporally nonconservative LU-ADI (lower-upper-factored, alternating-direction-implicit) method was applied for time marching computations. A comparison of the temporally nonconservative method with a time-conservative implicit upwind method indicates that the solutions are insensitive to the conservative properties of the implicit solvers when practical time steps are used. Using this new method, computations were made for an oscillating wing at a transonic Mach number. The computed results confirm that the present upwind scheme captures the shock motion better than the central-difference scheme based on the beam-warming algorithm. The new upwind option of the code allows larger time-steps and thus is more efficient, even though it requires slightly more computational time per time step than the central-difference option.

  20. Supersonic nonlinear potential analysis

    NASA Technical Reports Server (NTRS)

    Siclari, M. J.

    1984-01-01

    The NCOREL computer code was established to compute supersonic flow fields of wings and bodies. The method encompasses an implicit finite difference transonic relaxation method to solve the full potential equation in a spherical coordinate system. Two basic topic to broaden the applicability and usefulness of the present method which is encompassed within the computer code NCOREL for the treatment of supersonic flow problems were studied. The first topic is that of computing efficiency. Accelerated schemes are in use for transonic flow problems. One such scheme is the approximate factorization (AF) method and an AF scheme to the supersonic flow problem is developed. The second topic is the computation of wake flows. The proper modeling of wake flows is important for multicomponent configurations such as wing-body and multiple lifting surfaces where the wake of one lifting surface has a pronounced effect on a downstream body or other lifting surfaces.

  1. Numerical methods for engine-airframe integration

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

    Murthy, S.N.B.; Paynter, G.C.

    1986-01-01

    Various papers on numerical methods for engine-airframe integration are presented. The individual topics considered include: scientific computing environment for the 1980s, overview of prediction of complex turbulent flows, numerical solutions of the compressible Navier-Stokes equations, elements of computational engine/airframe integrations, computational requirements for efficient engine installation, application of CAE and CFD techniques to complete tactical missile design, CFD applications to engine/airframe integration, and application of a second-generation low-order panel methods to powerplant installation studies. Also addressed are: three-dimensional flow analysis of turboprop inlet and nacelle configurations, application of computational methods to the design of large turbofan engine nacelles, comparison ofmore » full potential and Euler solution algorithms for aeropropulsive flow field computations, subsonic/transonic, supersonic nozzle flows and nozzle integration, subsonic/transonic prediction capabilities for nozzle/afterbody configurations, three-dimensional viscous design methodology of supersonic inlet systems for advanced technology aircraft, and a user's technology assessment.« less

  2. Investigation of the Behavior of Thin-Walled Panels with Cutouts

    NASA Technical Reports Server (NTRS)

    Podorozhny, A. A.

    1946-01-01

    The present paper deals with the computation and methods of reinforcement of stiffened panels with cutouts under bending loads such as are applied to the sides of a fuselage. A comparison is maade between the computed and test results. Results are presented of tests on panels with cutouts under tensile and compressive loads.

  3. Higher-order methods for simulations on quantum computers

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

    Sornborger, A.T.; Stewart, E.D.

    1999-09-01

    To implement many-qubit gates for use in quantum simulations on quantum computers efficiently, we develop and present methods reexpressing exp[[minus]i(H[sub 1]+H[sub 2]+[center dot][center dot][center dot])[Delta]t] as a product of factors exp[[minus]iH[sub 1][Delta]t], exp[[minus]iH[sub 2][Delta]t],[hor ellipsis], which is accurate to third or fourth order in [Delta]t. The methods we derive are an extended form of the symplectic method, and can also be used for an integration of classical Hamiltonians on classical computers. We derive both integral and irrational methods, and find the most efficient methods in both cases. [copyright] [ital 1999] [ital The American Physical Society

  4. Parallel, adaptive finite element methods for conservation laws

    NASA Technical Reports Server (NTRS)

    Biswas, Rupak; Devine, Karen D.; Flaherty, Joseph E.

    1994-01-01

    We construct parallel finite element methods for the solution of hyperbolic conservation laws in one and two dimensions. Spatial discretization is performed by a discontinuous Galerkin finite element method using a basis of piecewise Legendre polynomials. Temporal discretization utilizes a Runge-Kutta method. Dissipative fluxes and projection limiting prevent oscillations near solution discontinuities. A posteriori estimates of spatial errors are obtained by a p-refinement technique using superconvergence at Radau points. The resulting method is of high order and may be parallelized efficiently on MIMD computers. We compare results using different limiting schemes and demonstrate parallel efficiency through computations on an NCUBE/2 hypercube. We also present results using adaptive h- and p-refinement to reduce the computational cost of the method.

  5. Original analytic solution of a half-bridge modelled as a statically indeterminate system

    NASA Astrophysics Data System (ADS)

    Oanta, Emil M.; Panait, Cornel; Raicu, Alexandra; Barhalescu, Mihaela

    2016-12-01

    The paper presents an original computer based analytical model of a half-bridge belonging to a circular settling tank. The primary unknown is computed using the force method, the coefficients of the canonical equation being calculated using either the discretization of the bending moment diagram in trapezoids, or using the relations specific to the polygons. A second algorithm based on the method of initial parameters is also presented. Analyzing the new solution we came to the conclusion that most of the computer code developed for other model may be reused. The results are useful to evaluate the behavior of the structure and to compare with the results of the finite element models.

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

    NASA Astrophysics Data System (ADS)

    Shirobokov, D. A.

    2017-04-01

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

  7. Maximum entropy method applied to deblurring images on a MasPar MP-1 computer

    NASA Technical Reports Server (NTRS)

    Bonavito, N. L.; Dorband, John; Busse, Tim

    1991-01-01

    A statistical inference method based on the principle of maximum entropy is developed for the purpose of enhancing and restoring satellite images. The proposed maximum entropy image restoration method is shown to overcome the difficulties associated with image restoration and provide the smoothest and most appropriate solution consistent with the measured data. An implementation of the method on the MP-1 computer is described, and results of tests on simulated data are presented.

  8. A stochastic method for computing hadronic matrix elements

    DOE PAGES

    Alexandrou, Constantia; Constantinou, Martha; Dinter, Simon; ...

    2014-01-24

    In this study, we present a stochastic method for the calculation of baryon 3-point functions which is an alternative to the typically used sequential method offering more versatility. We analyze the scaling of the error of the stochastically evaluated 3-point function with the lattice volume and find a favorable signal to noise ratio suggesting that the stochastic method can be extended to large volumes providing an efficient approach to compute hadronic matrix elements and form factors.

  9. A simplified analysis of propulsion installation losses for computerized aircraft design

    NASA Technical Reports Server (NTRS)

    Morris, S. J., Jr.; Nelms, W. P., Jr.; Bailey, R. O.

    1976-01-01

    A simplified method is presented for computing the installation losses of aircraft gas turbine propulsion systems. The method has been programmed for use in computer aided conceptual aircraft design studies that cover a broad range of Mach numbers and altitudes. The items computed are: inlet size, pressure recovery, additive drag, subsonic spillage drag, bleed and bypass drags, auxiliary air systems drag, boundary-layer diverter drag, nozzle boattail drag, and the interference drag on the region adjacent to multiple nozzle installations. The methods for computing each of these installation effects are described and computer codes for the calculation of these effects are furnished. The results of these methods are compared with selected data for the F-5A and other aircraft. The computer program can be used with uninstalled engine performance information which is currently supplied by a cycle analysis program. The program, including comments, is about 600 FORTRAN statements long, and uses both theoretical and empirical techniques.

  10. Methods for presentation and display of multivariate data

    NASA Technical Reports Server (NTRS)

    Myers, R. H.

    1981-01-01

    Methods for the presentation and display of multivariate data are discussed with emphasis placed on the multivariate analysis of variance problems and the Hotelling T(2) solution in the two-sample case. The methods utilize the concepts of stepwise discrimination analysis and the computation of partial correlation coefficients.

  11. Boundary conditions for simulating large SAW devices using ANSYS.

    PubMed

    Peng, Dasong; Yu, Fengqi; Hu, Jian; Li, Peng

    2010-08-01

    In this report, we propose improved substrate left and right boundary conditions for simulating SAW devices using ANSYS. Compared with the previous methods, the proposed method can greatly reduce computation time. Furthermore, the longer the distance from the first reflector to the last one, the more computation time can be reduced. To verify the proposed method, a design example is presented with device center frequency 971.14 MHz.

  12. Computation of solar wind parameters from the OGO-5 plasma spectrometer data using Hermite polynomials

    NASA Technical Reports Server (NTRS)

    Neugebauer, M.

    1971-01-01

    The method used to calculate the velocity, temperature, and density of the solar wind plasma is presented from spectra obtained by attitude-stabilized plasma detectors on the earth satellite OGO 5. The method, which used expansions in terms of Hermite polynomials, is very inexpensive to implement on an electronic computer compared to the least-squares and other iterative methods often used for similar problems.

  13. Project JOVE. [microgravity experiments and applications

    NASA Technical Reports Server (NTRS)

    Lyell, M. J.

    1994-01-01

    The goal of this project is to investigate new areas of research pertaining to free surface-interface fluids mechanics and/or microgravity which have potential commercial applications. This paper presents an introduction to ferrohydrodynamics (FHD), and discusses some applications. Also, computational methods for solving free surface flow problems are presented in detail. Both have diverse applications in industry and in microgravity fluids applications. Three different modeling schemes for FHD flows are addressed and the governing equations, including Maxwell's equations, are introduced. In the area of computational modeling of free surface flows, both Eulerian and Lagrangian schemes are discussed. The state of the art in computational methods applied to free surface flows is elucidated. In particular, adaptive grids and re-zoning methods are discussed. Additional research results are addressed and copies of the publications produced under the JOVE Project are included.

  14. On some methods for improving time of reachability sets computation for the dynamic system control problem

    NASA Astrophysics Data System (ADS)

    Zimovets, Artem; Matviychuk, Alexander; Ushakov, Vladimir

    2016-12-01

    The paper presents two different approaches to reduce the time of computer calculation of reachability sets. First of these two approaches use different data structures for storing the reachability sets in the computer memory for calculation in single-threaded mode. Second approach is based on using parallel algorithms with reference to the data structures from the first approach. Within the framework of this paper parallel algorithm of approximate reachability set calculation on computer with SMP-architecture is proposed. The results of numerical modelling are presented in the form of tables which demonstrate high efficiency of parallel computing technology and also show how computing time depends on the used data structure.

  15. Sub-domain decomposition methods and computational controls for multibody dynamical systems. [of spacecraft structures

    NASA Technical Reports Server (NTRS)

    Menon, R. G.; Kurdila, A. J.

    1992-01-01

    This paper presents a concurrent methodology to simulate the dynamics of flexible multibody systems with a large number of degrees of freedom. A general class of open-loop structures is treated and a redundant coordinate formulation is adopted. A range space method is used in which the constraint forces are calculated using a preconditioned conjugate gradient method. By using a preconditioner motivated by the regular ordering of the directed graph of the structures, it is shown that the method is order N in the total number of coordinates of the system. The overall formulation has the advantage that it permits fine parallelization and does not rely on system topology to induce concurrency. It can be efficiently implemented on the present generation of parallel computers with a large number of processors. Validation of the method is presented via numerical simulations of space structures incorporating large number of flexible degrees of freedom.

  16. A method for calculating a real-gas two-dimensional nozzle contour including the effects of gamma

    NASA Technical Reports Server (NTRS)

    Johnson, C. B.; Boney, L. R.

    1975-01-01

    A method for calculating two-dimensional inviscid nozzle contours for a real gas or an ideal gas by the method of characteristics is described. The method consists of a modification of an existing nozzle computer program. The ideal-gas nozzle contour can be calculated for any constant value of gamma. Two methods of calculating the center-line boundary values of the Mach number in the throat region are also presented. The use of these three methods of calculating the center-line Mach number distribution in the throat region can change the distance from the throat to the inflection point by a factor of 2.5. A user's guide is presented for input to the computer program for both the two-dimensional and axisymmetric nozzle contours.

  17. Computer assisted holographic moire contouring

    NASA Astrophysics Data System (ADS)

    Sciammarella, Cesar A.

    2000-01-01

    Theoretical analyses and experimental results on holographic moire contouring on diffusely reflecting objects are presented. The sensitivity and limitations of the method are discussed. Particular emphasis is put on computer-assisted data retrieval, processing, and recording.

  18. Computational analysis of water entry of a circular section at constant velocity based on Reynold's averaged Navier-Stokes method

    NASA Astrophysics Data System (ADS)

    Uddin, M. Maruf; Fuad, Muzaddid-E.-Zaman; Rahaman, Md. Mashiur; Islam, M. Rabiul

    2017-12-01

    With the rapid decrease in the cost of computational infrastructure with more efficient algorithm for solving non-linear problems, Reynold's averaged Navier-Stokes (RaNS) based Computational Fluid Dynamics (CFD) has been used widely now-a-days. As a preliminary evaluation tool, CFD is used to calculate the hydrodynamic loads on offshore installations, ships, and other structures in the ocean at initial design stages. Traditionally, wedges have been studied more than circular cylinders because cylinder section has zero deadrise angle at the instant of water impact, which increases with increase of submergence. In Present study, RaNS based commercial code ANSYS Fluent is used to simulate the water entry of a circular section at constant velocity. It is seen that present computational results were compared with experiment and other numerical method.

  19. Computational Modeling for Language Acquisition: A Tutorial with Syntactic Islands

    ERIC Educational Resources Information Center

    Pearl, Lisa S.; Sprouse, Jon

    2015-01-01

    Purpose: Given the growing prominence of computational modeling in the acquisition research community, we present a tutorial on how to use computational modeling to investigate learning strategies that underlie the acquisition process. This is useful for understanding both typical and atypical linguistic development. Method: We provide a general…

  20. Computer-Based Molecular Modelling: Finnish School Teachers' Experiences and Views

    ERIC Educational Resources Information Center

    Aksela, Maija; Lundell, Jan

    2008-01-01

    Modern computer-based molecular modelling opens up new possibilities for chemistry teaching at different levels. This article presents a case study seeking insight into Finnish school teachers' use of computer-based molecular modelling in teaching chemistry, into the different working and teaching methods used, and their opinions about necessary…

  1. An O(N squared) method for computing the eigensystem of N by N symmetric tridiagonal matrices by the divide and conquer approach

    NASA Technical Reports Server (NTRS)

    Gill, Doron; Tadmor, Eitan

    1988-01-01

    An efficient method is proposed to solve the eigenproblem of N by N Symmetric Tridiagonal (ST) matrices. Unlike the standard eigensolvers which necessitate O(N cubed) operations to compute the eigenvectors of such ST matrices, the proposed method computes both the eigenvalues and eigenvectors with only O(N squared) operations. The method is based on serial implementation of the recently introduced Divide and Conquer (DC) algorithm. It exploits the fact that by O(N squared) of DC operations, one can compute the eigenvalues of N by N ST matrix and a finite number of pairs of successive rows of its eigenvector matrix. The rest of the eigenvectors--all of them or one at a time--are computed by linear three-term recurrence relations. Numerical examples are presented which demonstrate the superiority of the proposed method by saving an order of magnitude in execution time at the expense of sacrificing a few orders of accuracy.

  2. 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.

  3. Impact design methods for ceramic components in gas turbine engines

    NASA Technical Reports Server (NTRS)

    Song, J.; Cuccio, J.; Kington, H.

    1991-01-01

    Methods currently under development to design ceramic turbine components with improved impact resistance are presented. Two different modes of impact damage are identified and characterized, i.e., structural damage and local damage. The entire computation is incorporated into the EPIC computer code. Model capability is demonstrated by simulating instrumented plate impact and particle impact tests.

  4. The Effects of Computer-Supported Inquiry-Based Learning Methods and Peer Interaction on Learning Stellar Parallax

    ERIC Educational Resources Information Center

    Ruzhitskaya, Lanika

    2011-01-01

    The presented research study investigated the effects of computer-supported inquiry-based learning and peer interaction methods on effectiveness of learning a scientific concept. The stellar parallax concept was selected as a basic, and yet important in astronomy, scientific construct, which is based on a straightforward relationship of several…

  5. Spiral and Project-Based Learning with Peer Assessment in a Computer Science Project Management Course

    ERIC Educational Resources Information Center

    Jaime, Arturo; Blanco, José Miguel; Domínguez, César; Sánchez, Ana; Heras, Jónathan; Usandizaga, Imanol

    2016-01-01

    Different learning methods such as project-based learning, spiral learning and peer assessment have been implemented in science disciplines with different outcomes. This paper presents a proposal for a project management course in the context of a computer science degree. Our proposal combines three well-known methods: project-based learning,…

  6. HOPI: on-line injection optimization program

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

    LeMaire, J L

    1977-10-26

    A method of matching the beam from the 200 MeV linac to the AGS without the necessity of making emittance measurements is presented. An on-line computer program written on the PDP10 computer performs the matching by modifying independently the horizontal and vertical emittance. Experimental results show success with this method, which can be applied to any matching section.

  7. Computing the Partial Fraction Decomposition of Rational Functions with Irreducible Quadratic Factors in the Denominators

    ERIC Educational Resources Information Center

    Man, Yiu-Kwong

    2012-01-01

    In this note, a new method for computing the partial fraction decomposition of rational functions with irreducible quadratic factors in the denominators is presented. This method involves polynomial divisions and substitutions only, without having to solve for the complex roots of the irreducible quadratic polynomial or to solve a system of linear…

  8. Chrysler improved numerical differencing analyzer for third generation computers CINDA-3G

    NASA Technical Reports Server (NTRS)

    Gaski, J. D.; Lewis, D. R.; Thompson, L. R.

    1972-01-01

    New and versatile method has been developed to supplement or replace use of original CINDA thermal analyzer program in order to take advantage of improved systems software and machine speeds of third generation computers. CINDA-3G program options offer variety of methods for solution of thermal analog models presented in network format.

  9. Computation of transmitted and received B1 fields in magnetic resonance imaging.

    PubMed

    Milles, Julien; Zhu, Yue Min; Chen, Nan-Kuei; Panych, Lawrence P; Gimenez, Gérard; Guttmann, Charles R G

    2006-05-01

    Computation of B1 fields is a key issue for determination and correction of intensity nonuniformity in magnetic resonance images. This paper presents a new method for computing transmitted and received B1 fields. Our method combines a modified MRI acquisition protocol and an estimation technique based on the Levenberg-Marquardt algorithm and spatial filtering. It enables accurate estimation of transmitted and received B1 fields for both homogeneous and heterogeneous objects. The method is validated using numerical simulations and experimental data from phantom and human scans. The experimental results are in agreement with theoretical expectations.

  10. Semiempirical methods for computing turbulent flows

    NASA Technical Reports Server (NTRS)

    Belov, I. A.; Ginzburg, I. P.

    1986-01-01

    Two semiempirical theories which provide a basis for determining the turbulent friction and heat exchange near a wall are presented: (1) the Prandtl-Karman theory, and (2) the theory utilizing an equation for the energy of turbulent pulsations. A comparison is made between exact numerical methods and approximate integral methods for computing the turbulent boundary layers in the presence of pressure, blowing, or suction gradients. Using the turbulent flow around a plate as an example, it is shown that, when computing turbulent flows with external turbulence, it is preferable to construct a turbulence model based on the equation for energy of turbulent pulsations.

  11. Method for simultaneous overlapped communications between neighboring processors in a multiple

    DOEpatents

    Benner, Robert E.; Gustafson, John L.; Montry, Gary R.

    1991-01-01

    A parallel computing system and method having improved performance where a program is concurrently run on a plurality of nodes for reducing total processing time, each node having a processor, a memory, and a predetermined number of communication channels connected to the node and independently connected directly to other nodes. The present invention improves performance of performance of the parallel computing system by providing a system which can provide efficient communication between the processors and between the system and input and output devices. A method is also disclosed which can locate defective nodes with the computing system.

  12. Image analysis and modeling in medical image computing. Recent developments and advances.

    PubMed

    Handels, H; Deserno, T M; Meinzer, H-P; Tolxdorff, T

    2012-01-01

    Medical image computing is of growing importance in medical diagnostics and image-guided therapy. Nowadays, image analysis systems integrating advanced image computing methods are used in practice e.g. to extract quantitative image parameters or to support the surgeon during a navigated intervention. However, the grade of automation, accuracy, reproducibility and robustness of medical image computing methods has to be increased to meet the requirements in clinical routine. In the focus theme, recent developments and advances in the field of modeling and model-based image analysis are described. The introduction of models in the image analysis process enables improvements of image analysis algorithms in terms of automation, accuracy, reproducibility and robustness. Furthermore, model-based image computing techniques open up new perspectives for prediction of organ changes and risk analysis of patients. Selected contributions are assembled to present latest advances in the field. The authors were invited to present their recent work and results based on their outstanding contributions to the Conference on Medical Image Computing BVM 2011 held at the University of Lübeck, Germany. All manuscripts had to pass a comprehensive peer review. Modeling approaches and model-based image analysis methods showing new trends and perspectives in model-based medical image computing are described. Complex models are used in different medical applications and medical images like radiographic images, dual-energy CT images, MR images, diffusion tensor images as well as microscopic images are analyzed. The applications emphasize the high potential and the wide application range of these methods. The use of model-based image analysis methods can improve segmentation quality as well as the accuracy and reproducibility of quantitative image analysis. Furthermore, image-based models enable new insights and can lead to a deeper understanding of complex dynamic mechanisms in the human body. Hence, model-based image computing methods are important tools to improve medical diagnostics and patient treatment in future.

  13. Transforming information for computer-aided instruction: using a Socratic Dialogue method to teach gross anatomy.

    PubMed

    Constantinou, P; Daane, S; Dev, P

    1994-01-01

    Traditional teaching of anatomy can be a difficult process of rote memorization. Computers allow information presentation to be much more dynamic, and interactive; the same information can be presented in multiple organizations. Using this idea, we have implemented a new pedagogy for computer-assisted instruction in The Anatomy Lesson, an interactive digital teacher which uses a "Socratic Dialogue" metaphor, as well as a textbook-like approach, to facilitate conceptual learning in anatomy.

  14. Reliably Discriminating Stock Structure with Genetic Markers:Mixture Models with Robust and Fast Computation.

    PubMed

    Foster, Scott D; Feutry, Pierre; Grewe, Peter M; Berry, Oliver; Hui, Francis K C; Davies, Campbell R

    2018-06-26

    Delineating naturally occurring and self-sustaining sub-populations (stocks) of a species is an important task, especially for species harvested from the wild. Despite its central importance to natural resource management, analytical methods used to delineate stocks are often, and increasingly, borrowed from superficially similar analytical tasks in human genetics even though models specifically for stock identification have been previously developed. Unfortunately, the analytical tasks in resource management and human genetics are not identical { questions about humans are typically aimed at inferring ancestry (often referred to as 'admixture') rather than breeding stocks. In this article, we argue, and show through simulation experiments and an analysis of yellowfin tuna data, that ancestral analysis methods are not always appropriate for stock delineation. In this work, we advocate a variant of a previouslyintroduced and simpler model that identifies stocks directly. We also highlight that the computational aspects of the analysis, irrespective of the model, are difficult. We introduce some alternative computational methods and quantitatively compare these methods to each other and to established methods. We also present a method for quantifying uncertainty in model parameters and in assignment probabilities. In doing so, we demonstrate that point estimates can be misleading. One of the computational strategies presented here, based on an expectation-maximisation algorithm with judiciously chosen starting values, is robust and has a modest computational cost. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

  15. Efficient integration method for fictitious domain approaches

    NASA Astrophysics Data System (ADS)

    Duczek, Sascha; Gabbert, Ulrich

    2015-10-01

    In the current article, we present an efficient and accurate numerical method for the integration of the system matrices in fictitious domain approaches such as the finite cell method (FCM). In the framework of the FCM, the physical domain is embedded in a geometrically larger domain of simple shape which is discretized using a regular Cartesian grid of cells. Therefore, a spacetree-based adaptive quadrature technique is normally deployed to resolve the geometry of the structure. Depending on the complexity of the structure under investigation this method accounts for most of the computational effort. To reduce the computational costs for computing the system matrices an efficient quadrature scheme based on the divergence theorem (Gauß-Ostrogradsky theorem) is proposed. Using this theorem the dimension of the integral is reduced by one, i.e. instead of solving the integral for the whole domain only its contour needs to be considered. In the current paper, we present the general principles of the integration method and its implementation. The results to several two-dimensional benchmark problems highlight its properties. The efficiency of the proposed method is compared to conventional spacetree-based integration techniques.

  16. Computation of backwater and discharge at width constrictions of heavily vegetated flood plains

    USGS Publications Warehouse

    Schneider, V.R.; Board, J.W.; Colson, B.E.; Lee, F.N.; Druffel, Leroy

    1977-01-01

    The U.S. Geological Survey, cooperated with the Federal Highway Administration and the State Highway Departments of Mississippi, Alabama, and Louisiana, to develop a proposed method for computing backwater and discharge at width constrictions of heavily vegetated flood plains. Data were collected at 20 single opening sites for 31 floods. Flood-plain width varied from 4 to 14 times the bridge opening width. The recurrence intervals of peak discharge ranged from a 2-year flood to greater than a 100-year flood, with a median interval of 6 years. Measured backwater ranged from 0.39 to 3.16 feet. Backwater computed by the present standard Geological Survey method averaged 29 percent less than the measured, and that computed by the currently used Federal Highway Administration method averaged 47 percent less than the measured. Discharge computed by the Survey method averaged 21 percent more then the measured. Analysis of data showed that the flood-plain widths and the Manning 's roughness coefficient are larger than those used to develop the standard methods. A method to more accurately compute backwater and discharge was developed. The difference between the contracted and natural water-surface profiles computed using standard step-backwater procedures is defined as backwater. The energy loss terms in the step-backwater procedure are computed as the product of the geometric mean of the energy slopes and the flow distance in the reach was derived from potential flow theory. The mean error was 1 percent when using the proposed method for computing backwater and 3 percent for computing discharge. (Woodard-USGS)

  17. Computing Evans functions numerically via boundary-value problems

    NASA Astrophysics Data System (ADS)

    Barker, Blake; Nguyen, Rose; Sandstede, Björn; Ventura, Nathaniel; Wahl, Colin

    2018-03-01

    The Evans function has been used extensively to study spectral stability of travelling-wave solutions in spatially extended partial differential equations. To compute Evans functions numerically, several shooting methods have been developed. In this paper, an alternative scheme for the numerical computation of Evans functions is presented that relies on an appropriate boundary-value problem formulation. Convergence of the algorithm is proved, and several examples, including the computation of eigenvalues for a multi-dimensional problem, are given. The main advantage of the scheme proposed here compared with earlier methods is that the scheme is linear and scalable to large problems.

  18. Adjoint Sensitivity Computations for an Embedded-Boundary Cartesian Mesh Method and CAD Geometry

    NASA Technical Reports Server (NTRS)

    Nemec, Marian; Aftosmis,Michael J.

    2006-01-01

    Cartesian-mesh methods are perhaps the most promising approach for addressing the issues of flow solution automation for aerodynamic design problems. In these methods, the discretization of the wetted surface is decoupled from that of the volume mesh. This not only enables fast and robust mesh generation for geometry of arbitrary complexity, but also facilitates access to geometry modeling and manipulation using parametric Computer-Aided Design (CAD) tools. Our goal is to combine the automation capabilities of Cartesian methods with an eficient computation of design sensitivities. We address this issue using the adjoint method, where the computational cost of the design sensitivities, or objective function gradients, is esseutially indepeudent of the number of design variables. In previous work, we presented an accurate and efficient algorithm for the solution of the adjoint Euler equations discretized on Cartesian meshes with embedded, cut-cell boundaries. Novel aspects of the algorithm included the computation of surface shape sensitivities for triangulations based on parametric-CAD models and the linearization of the coupling between the surface triangulation and the cut-cells. The objective of the present work is to extend our adjoint formulation to problems involving general shape changes. Central to this development is the computation of volume-mesh sensitivities to obtain a reliable approximation of the objective finction gradient. Motivated by the success of mesh-perturbation schemes commonly used in body-fitted unstructured formulations, we propose an approach based on a local linearization of a mesh-perturbation scheme similar to the spring analogy. This approach circumvents most of the difficulties that arise due to non-smooth changes in the cut-cell layer as the boundary shape evolves and provides a consistent approximation tot he exact gradient of the discretized abjective function. A detailed gradient accurace study is presented to verify our approach. Thereafter, we focus on a shape optimization problem for an Apollo-like reentry capsule. The optimization seeks to enhance the lift-to-drag ratio of the capsule by modifyjing the shape of its heat-shield in conjunction with a center-of-gravity (c.g.) offset. This multipoint and multi-objective optimization problem is used to demonstrate the overall effectiveness of the Cartesian adjoint method for addressing the issues of complex aerodynamic design. This abstract presents only a brief outline of the numerical method and results; full details will be given in the final paper.

  19. Computational Age Dating of Special Nuclear Materials

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

    None, None

    2012-06-30

    This slide-show presented an overview of the Constrained Progressive Reversal (CPR) method for computing decays, age dating, and spoof detecting. The CPR method is: Capable of temporal profiling a SNM sample; Precise (compared with known decay code, such a ORIGEN); Easy (for computer implementation and analysis). We have illustrated with real SNM data using CPR for age dating and spoof detection. If SNM is pure, may use CPR to derive its age. If SNM is mixed, CPR will indicate that it is mixed or spoofed.

  20. A study of methods to predict and measure the transmission of sound through the walls of light aircraft. A survey of techniques for visualization of noise fields

    NASA Technical Reports Server (NTRS)

    Marshall, S. E.; Bernhard, R.

    1984-01-01

    A survey of the most widely used methods for visualizing acoustic phenomena is presented. Emphasis is placed on acoustic processes in the audible frequencies. Many visual problems are analyzed on computer graphic systems. A brief description of the current technology in computer graphics is included. The visualization technique survey will serve as basis for recommending an optimum scheme for displaying acoustic fields on computer graphic systems.

  1. Towards Better Human Robot Interaction: Understand Human Computer Interaction in Social Gaming Using a Video-Enhanced Diary Method

    NASA Astrophysics Data System (ADS)

    See, Swee Lan; Tan, Mitchell; Looi, Qin En

    This paper presents findings from a descriptive research on social gaming. A video-enhanced diary method was used to understand the user experience in social gaming. From this experiment, we found that natural human behavior and gamer’s decision making process can be elicited and speculated during human computer interaction. These are new information that we should consider as they can help us build better human computer interfaces and human robotic interfaces in future.

  2. A new approach for the calculation of response spectral density of a linear stationary random multidegree of freedom system

    NASA Astrophysics Data System (ADS)

    Sharan, A. M.; Sankar, S.; Sankar, T. S.

    1982-08-01

    A new approach for the calculation of response spectral density for a linear stationary random multidegree of freedom system is presented. The method is based on modifying the stochastic dynamic equations of the system by using a set of auxiliary variables. The response spectral density matrix obtained by using this new approach contains the spectral densities and the cross-spectral densities of the system generalized displacements and velocities. The new method requires significantly less computation time as compared to the conventional method for calculating response spectral densities. Two numerical examples are presented to compare quantitatively the computation time.

  3. Method and system rapid piece handling

    DOEpatents

    Spletzer, Barry L.

    1996-01-01

    The advent of high-speed fabric cutters has made necessary the development of automated techniques for the collection and sorting of garment pieces into collated piles of pieces ready for assembly. The present invention enables a new method for such handling and sorting of garment parts, and to apparatus capable of carrying out this new method. The common thread is the application of computer-controlled shuttling bins, capable of picking up a desired piece of fabric and dropping it in collated order for assembly. Such apparatus with appropriate computer control relieves the bottleneck now presented by the sorting and collation procedure, thus greatly increasing the overall rate at which garments can be assembled.

  4. Computational methods for optimal linear-quadratic compensators for infinite dimensional discrete-time systems

    NASA Technical Reports Server (NTRS)

    Gibson, J. S.; Rosen, I. G.

    1986-01-01

    An abstract approximation theory and computational methods are developed for the determination of optimal linear-quadratic feedback control, observers and compensators for infinite dimensional discrete-time systems. Particular attention is paid to systems whose open-loop dynamics are described by semigroups of operators on Hilbert spaces. The approach taken is based on the finite dimensional approximation of the infinite dimensional operator Riccati equations which characterize the optimal feedback control and observer gains. Theoretical convergence results are presented and discussed. Numerical results for an example involving a heat equation with boundary control are presented and used to demonstrate the feasibility of the method.

  5. On a categorial aspect of knowledge representation

    NASA Astrophysics Data System (ADS)

    Tataj, Emanuel; Mulawka, Jan; Nieznański, Edward

    Adequate representation of data is crucial for modeling any type of data. To faithfully present and describe the relevant section of the world it is necessary to select the method that can easily be implemented on a computer system which will help in further description allowing reasoning. The main objective of this contribution is to present methods of knowledge representation using categorial approach. Next to identify the main advantages for computer implementation. Categorical aspect of knowledge representation is considered in semantic networks realisation. Such method borrows already known metaphysics properties for data modeling process. The potential topics of further development of categorical semantic networks implementations are also underlined.

  6. Fictitious Domain Methods for Fracture Models in Elasticity.

    NASA Astrophysics Data System (ADS)

    Court, S.; Bodart, O.; Cayol, V.; Koko, J.

    2014-12-01

    As surface displacements depend non linearly on sources location and shape, simplifying assumptions are generally required to reduce computation time when inverting geodetic data. We present a generic Finite Element Method designed for pressurized or sheared cracks inside a linear elastic medium. A fictitious domain method is used to take the crack into account independently of the mesh. Besides the possibility of considering heterogeneous media, the approach permits the evolution of the crack through time or more generally through iterations: The goal is to change the less things we need when the crack geometry is modified; In particular no re-meshing is required (the boundary conditions at the level of the crack are imposed by Lagrange multipliers), leading to a gain of computation time and resources with respect to classic finite element methods. This method is also robust with respect to the geometry, since we expect to observe the same behavior whatever the shape and the position of the crack. We present numerical experiments which highlight the accuracy of our method (using convergence curves), the optimality of errors, and the robustness with respect to the geometry (with computation of errors on some quantities for all kind of geometric configurations). We will also provide 2D benchmark tests. The method is then applied to Piton de la Fournaise volcano, considering a pressurized crack - inside a 3-dimensional domain - and the corresponding computation time and accuracy are compared with results from a mixed Boundary element method. In order to determine the crack geometrical characteristics, and pressure, inversions are performed combining fictitious domain computations with a near neighborhood algorithm. Performances are compared with those obtained combining a mixed boundary element method with the same inversion algorithm.

  7. A PDE Sensitivity Equation Method for Optimal Aerodynamic Design

    NASA Technical Reports Server (NTRS)

    Borggaard, Jeff; Burns, John

    1996-01-01

    The use of gradient based optimization algorithms in inverse design is well established as a practical approach to aerodynamic design. A typical procedure uses a simulation scheme to evaluate the objective function (from the approximate states) and its gradient, then passes this information to an optimization algorithm. Once the simulation scheme (CFD flow solver) has been selected and used to provide approximate function evaluations, there are several possible approaches to the problem of computing gradients. One popular method is to differentiate the simulation scheme and compute design sensitivities that are then used to obtain gradients. Although this black-box approach has many advantages in shape optimization problems, one must compute mesh sensitivities in order to compute the design sensitivity. In this paper, we present an alternative approach using the PDE sensitivity equation to develop algorithms for computing gradients. This approach has the advantage that mesh sensitivities need not be computed. Moreover, when it is possible to use the CFD scheme for both the forward problem and the sensitivity equation, then there are computational advantages. An apparent disadvantage of this approach is that it does not always produce consistent derivatives. However, for a proper combination of discretization schemes, one can show asymptotic consistency under mesh refinement, which is often sufficient to guarantee convergence of the optimal design algorithm. In particular, we show that when asymptotically consistent schemes are combined with a trust-region optimization algorithm, the resulting optimal design method converges. We denote this approach as the sensitivity equation method. The sensitivity equation method is presented, convergence results are given and the approach is illustrated on two optimal design problems involving shocks.

  8. SIAM Conference on Parallel Processing for Scientific Computing, 4th, Chicago, IL, Dec. 11-13, 1989, Proceedings

    NASA Technical Reports Server (NTRS)

    Dongarra, Jack (Editor); Messina, Paul (Editor); Sorensen, Danny C. (Editor); Voigt, Robert G. (Editor)

    1990-01-01

    Attention is given to such topics as an evaluation of block algorithm variants in LAPACK and presents a large-grain parallel sparse system solver, a multiprocessor method for the solution of the generalized Eigenvalue problem on an interval, and a parallel QR algorithm for iterative subspace methods on the CM2. A discussion of numerical methods includes the topics of asynchronous numerical solutions of PDEs on parallel computers, parallel homotopy curve tracking on a hypercube, and solving Navier-Stokes equations on the Cedar Multi-Cluster system. A section on differential equations includes a discussion of a six-color procedure for the parallel solution of elliptic systems using the finite quadtree structure, data parallel algorithms for the finite element method, and domain decomposition methods in aerodynamics. Topics dealing with massively parallel computing include hypercube vs. 2-dimensional meshes and massively parallel computation of conservation laws. Performance and tools are also discussed.

  9. 3D shape recovery of smooth surfaces: dropping the fixed-viewpoint assumption.

    PubMed

    Moses, Yael; Shimshoni, Ilan

    2009-07-01

    We present a new method for recovering the 3D shape of a featureless smooth surface from three or more calibrated images illuminated by different light sources (three of them are independent). This method is unique in its ability to handle images taken from unconstrained perspective viewpoints and unconstrained illumination directions. The correspondence between such images is hard to compute and no other known method can handle this problem locally from a small number of images. Our method combines geometric and photometric information in order to recover dense correspondence between the images and accurately computes the 3D shape. Only a single pass starting at one point and local computation are used. This is in contrast to methods that use the occluding contours recovered from many images to initialize and constrain an optimization process. The output of our method can be used to initialize such processes. In the special case of fixed viewpoint, the proposed method becomes a new perspective photometric stereo algorithm. Nevertheless, the introduction of the multiview setup, self-occlusions, and regions close to the occluding boundaries are better handled, and the method is more robust to noise than photometric stereo. Experimental results are presented for simulated and real images.

  10. Evaluation of stress intensity factors for bi-material interface cracks using displacement jump methods

    NASA Astrophysics Data System (ADS)

    Nehar, K. C.; Hachi, B. E.; Cazes, F.; Haboussi, M.

    2017-12-01

    The aim of the present work is to investigate the numerical modeling of interfacial cracks that may appear at the interface between two isotropic elastic materials. The extended finite element method is employed to analyze brittle and bi-material interfacial fatigue crack growth by computing the mixed mode stress intensity factors (SIF). Three different approaches are introduced to compute the SIFs. In the first one, mixed mode SIF is deduced from the computation of the contour integral as per the classical J-integral method, whereas a displacement method is used to evaluate the SIF by using either one or two displacement jumps located along the crack path in the second and third approaches. The displacement jump method is rather classical for mono-materials, but has to our knowledge not been used up to now for a bi-material. Hence, use of displacement jump for characterizing bi-material cracks constitutes the main contribution of the present study. Several benchmark tests including parametric studies are performed to show the effectiveness of these computational methodologies for SIF considering static and fatigue problems of bi-material structures. It is found that results based on the displacement jump methods are in a very good agreement with those of exact solutions, such as for the J-integral method, but with a larger domain of applicability and a better numerical efficiency (less time consuming and less spurious boundary effect).

  11. A Computer Simulation for Teaching Diagnosis of Secondary Ignition Problems

    ERIC Educational Resources Information Center

    Diedrick, Walter; Thomas, Rex

    1977-01-01

    Presents the methodology and findings of an experimental project to determine the viability of computer assisted as opposed to more traditional methods of instruction for teaching one phase of automotive troubleshooting. (Editor)

  12. Digital Documentation: Using Computers to Create Multimedia Reports.

    ERIC Educational Resources Information Center

    Speitel, Tom; And Others

    1996-01-01

    Describes methods for creating integrated multimedia documents using recent advances in print, audio, and video digitization that bring added usefulness to computers as data acquisition, processing, and presentation tools. Discusses advantages of digital documentation. (JRH)

  13. Mode-sum regularization of ⟨ϕ2⟩ in the angular-splitting method

    NASA Astrophysics Data System (ADS)

    Levi, Adam; Ori, Amos

    2016-08-01

    The computation of the renormalized stress-energy tensor or ⟨ϕ2⟩ren in curved spacetime is a challenging task, at both the conceptual and technical levels. Recently we developed a new approach to compute such renormalized quantities in asymptotically flat curved spacetimes, based on the point-splitting procedure. Our approach requires the spacetime to admit some symmetry. We already implemented this approach to compute ⟨ϕ2⟩ren in a stationary spacetime using t splitting, namely splitting in the time-translation direction. Here we present the angular-splitting version of this approach, aimed for computing renormalized quantities in a general (possibly dynamical) spherically symmetric spacetime. To illustrate how the angular-splitting method works, we use it here to compute ⟨ϕ2⟩ren for a quantum massless scalar field in Schwarzschild background, in various quantum states (Boulware, Unruh, and Hartle-Hawking states). We find excellent agreement with the results obtained from the t -splitting variant and also with other methods. Our main goal in pursuing this new mode-sum approach was to enable the computation of the renormalized stress-energy tensor in a dynamical spherically symmetric background, e.g. an evaporating black hole. The angular-splitting variant presented here is most suitable to this purpose.

  14. Foundations of Constructing a Marketing Data Base; Profitable Applications of the Computer to Marketing Management.

    ERIC Educational Resources Information Center

    Podell, Harold J.

    An introduction into the foundations of constructing a marketing data base is presented for the systems and marketing executives who are familiar with basic computer technology methods. The techniques and concepts presented are now being implemented by major organizations in the development of Management Information Systems (MIS). A marketing data…

  15. Term Cancellations in Computing Floating-Point Gröbner Bases

    NASA Astrophysics Data System (ADS)

    Sasaki, Tateaki; Kako, Fujio

    We discuss the term cancellation which makes the floating-point Gröbner basis computation unstable, and show that error accumulation is never negligible in our previous method. Then, we present a new method, which removes accumulated errors as far as possible by reducing matrices constructed from coefficient vectors by the Gaussian elimination. The method manifests amounts of term cancellations caused by the existence of approximate linearly dependent relations among input polynomials.

  16. Hierarchical optimization for neutron scattering problems

    DOE PAGES

    Bao, Feng; Archibald, Rick; Bansal, Dipanshu; ...

    2016-03-14

    In this study, we present a scalable optimization method for neutron scattering problems that determines confidence regions of simulation parameters in lattice dynamics models used to fit neutron scattering data for crystalline solids. The method uses physics-based hierarchical dimension reduction in both the computational simulation domain and the parameter space. We demonstrate for silicon that after a few iterations the method converges to parameters values (interatomic force-constants) computed with density functional theory simulations.

  17. Hierarchical optimization for neutron scattering problems

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

    Bao, Feng; Archibald, Rick; Bansal, Dipanshu

    In this study, we present a scalable optimization method for neutron scattering problems that determines confidence regions of simulation parameters in lattice dynamics models used to fit neutron scattering data for crystalline solids. The method uses physics-based hierarchical dimension reduction in both the computational simulation domain and the parameter space. We demonstrate for silicon that after a few iterations the method converges to parameters values (interatomic force-constants) computed with density functional theory simulations.

  18. Jet production in the CoLoRFulNNLO method: Event shapes in electron-positron collisions

    NASA Astrophysics Data System (ADS)

    Del Duca, Vittorio; Duhr, Claude; Kardos, Adam; Somogyi, Gábor; Szőr, Zoltán; Trócsányi, Zoltán; Tulipánt, Zoltán

    2016-10-01

    We present the CoLoRFulNNLO method to compute higher order radiative corrections to jet cross sections in perturbative QCD. We apply our method to the computation of event shape observables in electron-positron collisions at NNLO accuracy and validate our code by comparing our predictions to previous results in the literature. We also calculate for the first time jet cone energy fraction at NNLO.

  19. Development and applications of two computational procedures for determining the vibration modes of structural systems. [aircraft structures - aerospaceplanes

    NASA Technical Reports Server (NTRS)

    Kvaternik, R. G.

    1975-01-01

    Two computational procedures for analyzing complex structural systems for their natural modes and frequencies of vibration are presented. Both procedures are based on a substructures methodology and both employ the finite-element stiffness method to model the constituent substructures. The first procedure is a direct method based on solving the eigenvalue problem associated with a finite-element representation of the complete structure. The second procedure is a component-mode synthesis scheme in which the vibration modes of the complete structure are synthesized from modes of substructures into which the structure is divided. The analytical basis of the methods contains a combination of features which enhance the generality of the procedures. The computational procedures exhibit a unique utilitarian character with respect to the versatility, computational convenience, and ease of computer implementation. The computational procedures were implemented in two special-purpose computer programs. The results of the application of these programs to several structural configurations are shown and comparisons are made with experiment.

  20. A Computer Simulation of Community Pharmacy Practice for Educational Use.

    PubMed

    Bindoff, Ivan; Ling, Tristan; Bereznicki, Luke; Westbury, Juanita; Chalmers, Leanne; Peterson, Gregory; Ollington, Robert

    2014-11-15

    To provide a computer-based learning method for pharmacy practice that is as effective as paper-based scenarios, but more engaging and less labor-intensive. We developed a flexible and customizable computer simulation of community pharmacy. Using it, the students would be able to work through scenarios which encapsulate the entirety of a patient presentation. We compared the traditional paper-based teaching method to our computer-based approach using equivalent scenarios. The paper-based group had 2 tutors while the computer group had none. Both groups were given a prescenario and postscenario clinical knowledge quiz and survey. Students in the computer-based group had generally greater improvements in their clinical knowledge score, and third-year students using the computer-based method also showed more improvements in history taking and counseling competencies. Third-year students also found the simulation fun and engaging. Our simulation of community pharmacy provided an educational experience as effective as the paper-based alternative, despite the lack of a human tutor.

  1. Differences between postmortem computed tomography and conventional autopsy in a stabbing murder case

    PubMed Central

    Zerbini, Talita; da Silva, Luiz Fernando Ferraz; Ferro, Antonio Carlos Gonçalves; Kay, Fernando Uliana; Junior, Edson Amaro; Pasqualucci, Carlos Augusto Gonçalves; do Nascimento Saldiva, Paulo Hilario

    2014-01-01

    OBJECTIVE: The aim of the present work is to analyze the differences and similarities between the elements of a conventional autopsy and images obtained from postmortem computed tomography in a case of a homicide stab wound. METHOD: Comparison between the findings of different methods: autopsy and postmortem computed tomography. RESULTS: In some aspects, autopsy is still superior to imaging, especially in relation to external examination and the description of lesion vitality. However, the findings of gas embolism, pneumothorax and pulmonary emphysema and the relationship between the internal path of the instrument of aggression and the entry wound are better demonstrated by postmortem computed tomography. CONCLUSIONS: Although multislice computed tomography has greater accuracy than autopsy, we believe that the conventional autopsy method is fundamental for providing evidence in criminal investigations. PMID:25518020

  2. Shielding and activity estimator for template-based nuclide identification methods

    DOEpatents

    Nelson, Karl Einar

    2013-04-09

    According to one embodiment, a method for estimating an activity of one or more radio-nuclides includes receiving one or more templates, the one or more templates corresponding to one or more radio-nuclides which contribute to a probable solution, receiving one or more weighting factors, each weighting factor representing a contribution of one radio-nuclide to the probable solution, computing an effective areal density for each of the one more radio-nuclides, computing an effective atomic number (Z) for each of the one more radio-nuclides, computing an effective metric for each of the one or more radio-nuclides, and computing an estimated activity for each of the one or more radio-nuclides. In other embodiments, computer program products, systems, and other methods are presented for estimating an activity of one or more radio-nuclides.

  3. Acoustic radiosity for computation of sound fields in diffuse environments

    NASA Astrophysics Data System (ADS)

    Muehleisen, Ralph T.; Beamer, C. Walter

    2002-05-01

    The use of image and ray tracing methods (and variations thereof) for the computation of sound fields in rooms is relatively well developed. In their regime of validity, both methods work well for prediction in rooms with small amounts of diffraction and mostly specular reflection at the walls. While extensions to the method to include diffuse reflections and diffraction have been made, they are limited at best. In the fields of illumination and computer graphics the ray tracing and image methods are joined by another method called luminous radiative transfer or radiosity. In radiosity, an energy balance between surfaces is computed assuming diffuse reflection at the reflective surfaces. Because the interaction between surfaces is constant, much of the computation required for sound field prediction with multiple or moving source and receiver positions can be reduced. In acoustics the radiosity method has had little attention because of the problems of diffraction and specular reflection. The utility of radiosity in acoustics and an approach to a useful development of the method for acoustics will be presented. The method looks especially useful for sound level prediction in industrial and office environments. [Work supported by NSF.

  4. Efficient computation of photonic crystal waveguide modes with dispersive material.

    PubMed

    Schmidt, Kersten; Kappeler, Roman

    2010-03-29

    The optimization of PhC waveguides is a key issue for successfully designing PhC devices. Since this design task is computationally expensive, efficient methods are demanded. The available codes for computing photonic bands are also applied to PhC waveguides. They are reliable but not very efficient, which is even more pronounced for dispersive material. We present a method based on higher order finite elements with curved cells, which allows to solve for the band structure taking directly into account the dispersiveness of the materials. This is accomplished by reformulating the wave equations as a linear eigenproblem in the complex wave-vectors k. For this method, we demonstrate the high efficiency for the computation of guided PhC waveguide modes by a convergence analysis.

  5. A geometric method for computing ocular kinematics and classifying gaze events using monocular remote eye tracking in a robotic environment.

    PubMed

    Singh, Tarkeshwar; Perry, Christopher M; Herter, Troy M

    2016-01-26

    Robotic and virtual-reality systems offer tremendous potential for improving assessment and rehabilitation of neurological disorders affecting the upper extremity. A key feature of these systems is that visual stimuli are often presented within the same workspace as the hands (i.e., peripersonal space). Integrating video-based remote eye tracking with robotic and virtual-reality systems can provide an additional tool for investigating how cognitive processes influence visuomotor learning and rehabilitation of the upper extremity. However, remote eye tracking systems typically compute ocular kinematics by assuming eye movements are made in a plane with constant depth (e.g. frontal plane). When visual stimuli are presented at variable depths (e.g. transverse plane), eye movements have a vergence component that may influence reliable detection of gaze events (fixations, smooth pursuits and saccades). To our knowledge, there are no available methods to classify gaze events in the transverse plane for monocular remote eye tracking systems. Here we present a geometrical method to compute ocular kinematics from a monocular remote eye tracking system when visual stimuli are presented in the transverse plane. We then use the obtained kinematics to compute velocity-based thresholds that allow us to accurately identify onsets and offsets of fixations, saccades and smooth pursuits. Finally, we validate our algorithm by comparing the gaze events computed by the algorithm with those obtained from the eye-tracking software and manual digitization. Within the transverse plane, our algorithm reliably differentiates saccades from fixations (static visual stimuli) and smooth pursuits from saccades and fixations when visual stimuli are dynamic. The proposed methods provide advancements for examining eye movements in robotic and virtual-reality systems. Our methods can also be used with other video-based or tablet-based systems in which eye movements are performed in a peripersonal plane with variable depth.

  6. Computation of Pressurized Gas Bearings Using CE/SE Method

    NASA Technical Reports Server (NTRS)

    Cioc, Sorin; Dimofte, Florin; Keith, Theo G., Jr.; Fleming, David P.

    2003-01-01

    The space-time conservation element and solution element (CE/SE) method is extended to compute compressible viscous flows in pressurized thin fluid films. This numerical scheme has previously been used successfully to solve a wide variety of compressible flow problems, including flows with large and small discontinuities. In this paper, the method is applied to calculate the pressure distribution in a hybrid gas journal bearing. The formulation of the problem is presented, including the modeling of the feeding system. the numerical results obtained are compared with experimental data. Good agreement between the computed results and the test data were obtained, and thus validate the CE/SE method to solve such problems.

  7. A brief overview of NASA Langley's research program in formal methods

    NASA Technical Reports Server (NTRS)

    1992-01-01

    An overview of NASA Langley's research program in formal methods is presented. The major goal of this work is to bring formal methods technology to a sufficiently mature level for use by the United States aerospace industry. Towards this goal, work is underway to design and formally verify a fault-tolerant computing platform suitable for advanced flight control applications. Also, several direct technology transfer efforts have been initiated that apply formal methods to critical subsystems of real aerospace computer systems. The research team consists of six NASA civil servants and contractors from Boeing Military Aircraft Company, Computational Logic Inc., Odyssey Research Associates, SRI International, University of California at Davis, and Vigyan Inc.

  8. Numerical study of combustion processes in afterburners

    NASA Technical Reports Server (NTRS)

    Zhou, Xiaoqing; Zhang, Xiaochun

    1986-01-01

    Mathematical models and numerical methods are presented for computer modeling of aeroengine afterburners. A computer code GEMCHIP is described briefly. The algorithms SIMPLER, for gas flow predictions, and DROPLET, for droplet flow calculations, are incorporated in this code. The block correction technique is adopted to facilitate convergence. The method of handling irregular shapes of combustors and flameholders is described. The predicted results for a low-bypass-ratio turbofan afterburner in the cases of gaseous combustion and multiphase spray combustion are provided and analyzed, and engineering guides for afterburner optimization are presented.

  9. Maslov indices, Poisson brackets, and singular differential forms

    NASA Astrophysics Data System (ADS)

    Esterlis, I.; Haggard, H. M.; Hedeman, A.; Littlejohn, R. G.

    2014-06-01

    Maslov indices are integers that appear in semiclassical wave functions and quantization conditions. They are often notoriously difficult to compute. We present methods of computing the Maslov index that rely only on typically elementary Poisson brackets and simple linear algebra. We also present a singular differential form, whose integral along a curve gives the Maslov index of that curve. The form is closed but not exact, and transforms by an exact differential under canonical transformations. We illustrate the method with the 6j-symbol, which is important in angular-momentum theory and in quantum gravity.

  10. Assessment of nonequilibrium radiation computation methods for hypersonic flows

    NASA Technical Reports Server (NTRS)

    Sharma, Surendra

    1993-01-01

    The present understanding of shock-layer radiation in the low density regime, as appropriate to hypersonic vehicles, is surveyed. Based on the relative importance of electron excitation and radiation transport, the hypersonic flows are divided into three groups: weakly ionized, moderately ionized, and highly ionized flows. In the light of this division, the existing laboratory and flight data are scrutinized. Finally, an assessment of the nonequilibrium radiation computation methods for the three regimes in hypersonic flows is presented. The assessment is conducted by comparing experimental data against the values predicted by the physical model.

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

    Dag, Serkan; Yildirim, Bora; Sabuncuoglu, Baris

    The objective of this study is to develop crack growth analysis methods for functionally graded materials (FGMs) subjected to mode I cyclic loading. The study presents finite elements based computational procedures for both two and three dimensional problems to examine fatigue crack growth in functionally graded materials. Developed methods allow the computation of crack length and generation of crack front profile for a graded medium subjected to fluctuating stresses. The results presented for an elliptical crack embedded in a functionally graded medium, illustrate the competing effects of ellipse aspect ratio and material property gradation on the fatigue crack growth behavior.

  12. Computational drug discovery

    PubMed Central

    Ou-Yang, Si-sheng; Lu, Jun-yan; Kong, Xiang-qian; Liang, Zhong-jie; Luo, Cheng; Jiang, Hualiang

    2012-01-01

    Computational drug discovery is an effective strategy for accelerating and economizing drug discovery and development process. Because of the dramatic increase in the availability of biological macromolecule and small molecule information, the applicability of computational drug discovery has been extended and broadly applied to nearly every stage in the drug discovery and development workflow, including target identification and validation, lead discovery and optimization and preclinical tests. Over the past decades, computational drug discovery methods such as molecular docking, pharmacophore modeling and mapping, de novo design, molecular similarity calculation and sequence-based virtual screening have been greatly improved. In this review, we present an overview of these important computational methods, platforms and successful applications in this field. PMID:22922346

  13. GPU Accelerated Prognostics

    NASA Technical Reports Server (NTRS)

    Gorospe, George E., Jr.; Daigle, Matthew J.; Sankararaman, Shankar; Kulkarni, Chetan S.; Ng, Eley

    2017-01-01

    Prognostic methods enable operators and maintainers to predict the future performance for critical systems. However, these methods can be computationally expensive and may need to be performed each time new information about the system becomes available. In light of these computational requirements, we have investigated the application of graphics processing units (GPUs) as a computational platform for real-time prognostics. Recent advances in GPU technology have reduced cost and increased the computational capability of these highly parallel processing units, making them more attractive for the deployment of prognostic software. We present a survey of model-based prognostic algorithms with considerations for leveraging the parallel architecture of the GPU and a case study of GPU-accelerated battery prognostics with computational performance results.

  14. Statistical Surrogate Modeling of Atmospheric Dispersion Events Using Bayesian Adaptive Splines

    NASA Astrophysics Data System (ADS)

    Francom, D.; Sansó, B.; Bulaevskaya, V.; Lucas, D. D.

    2016-12-01

    Uncertainty in the inputs of complex computer models, including atmospheric dispersion and transport codes, is often assessed via statistical surrogate models. Surrogate models are computationally efficient statistical approximations of expensive computer models that enable uncertainty analysis. We introduce Bayesian adaptive spline methods for producing surrogate models that capture the major spatiotemporal patterns of the parent model, while satisfying all the necessities of flexibility, accuracy and computational feasibility. We present novel methodological and computational approaches motivated by a controlled atmospheric tracer release experiment conducted at the Diablo Canyon nuclear power plant in California. Traditional methods for building statistical surrogate models often do not scale well to experiments with large amounts of data. Our approach is well suited to experiments involving large numbers of model inputs, large numbers of simulations, and functional output for each simulation. Our approach allows us to perform global sensitivity analysis with ease. We also present an approach to calibration of simulators using field data.

  15. A hybridized method for computing high-Reynolds-number hypersonic flow about blunt bodies

    NASA Technical Reports Server (NTRS)

    Weilmuenster, K. J.; Hamilton, H. H., II

    1979-01-01

    A hybridized method for computing the flow about blunt bodies is presented. In this method the flow field is split into its viscid and inviscid parts. The forebody flow field about a parabolic body is computed. For the viscous solution, the Navier-Stokes equations are solved on orthogonal parabolic coordinates using explicit finite differencing. The inviscid flow is determined by using a Moretti type scheme in which the Euler equations are solved, using explicit finite differences, on a nonorthogonal coordinate system which uses the bow shock as an outer boundary. The two solutions are coupled along a common data line and are marched together in time until a converged solution is obtained. Computed results, when compared with experimental and analytical results, indicate the method works well over a wide range of Reynolds numbers and Mach numbers.

  16. The finite element model for the propagation of light in scattering media: a direct method for domains with nonscattering regions.

    PubMed

    Arridge, S R; Dehghani, H; Schweiger, M; Okada, E

    2000-01-01

    We present a method for handling nonscattering regions within diffusing domains. The method develops from an iterative radiosity-diffusion approach using Green's functions that was computationally slow. Here we present an improved implementation using a finite element method (FEM) that is direct. The fundamental idea is to introduce extra equations into the standard diffusion FEM to represent nondiffusive light propagation across a nonscattering region. By appropriate mesh node ordering the computational time is not much greater than for diffusion alone. We compare results from this method with those from a discrete ordinate transport code, and with Monte Carlo calculations. The agreement is very good, and, in addition, our scheme allows us to easily model time-dependent and frequency domain problems.

  17. A CLASS OF RECONSTRUCTED DISCONTINUOUS GALERKIN METHODS IN COMPUTATIONAL FLUID DYNAMICS

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

    Hong Luo; Yidong Xia; Robert Nourgaliev

    2011-05-01

    A class of reconstructed discontinuous Galerkin (DG) methods is presented to solve compressible flow problems on arbitrary grids. The idea is to combine the efficiency of the reconstruction methods in finite volume methods and the accuracy of the DG methods to obtain a better numerical algorithm in computational fluid dynamics. The beauty of the resulting reconstructed discontinuous Galerkin (RDG) methods is that they provide a unified formulation for both finite volume and DG methods, and contain both classical finite volume and standard DG methods as two special cases of the RDG methods, and thus allow for a direct efficiency comparison.more » Both Green-Gauss and least-squares reconstruction methods and a least-squares recovery method are presented to obtain a quadratic polynomial representation of the underlying linear discontinuous Galerkin solution on each cell via a so-called in-cell reconstruction process. The devised in-cell reconstruction is aimed to augment the accuracy of the discontinuous Galerkin method by increasing the order of the underlying polynomial solution. These three reconstructed discontinuous Galerkin methods are used to compute a variety of compressible flow problems on arbitrary meshes to assess their accuracy. The numerical experiments demonstrate that all three reconstructed discontinuous Galerkin methods can significantly improve the accuracy of the underlying second-order DG method, although the least-squares reconstructed DG method provides the best performance in terms of both accuracy, efficiency, and robustness.« less

  18. Evaluation of a Computer Simulation in a Therapeutics Case Discussion.

    ERIC Educational Resources Information Center

    Kinkade, Raenel E.; And Others

    1995-01-01

    A computer program was used to simulate a case presentation in pharmacotherapeutics. Students (n=24) used their knowledge of the disease (glaucoma) and various topical agents on the computer program's formulary to "treat" the patient. Comparison of results with a control group found the method as effective as traditional case…

  19. Cloud Computing as a Core Discipline in a Technology Entrepreneurship Program

    ERIC Educational Resources Information Center

    Lawler, James; Joseph, Anthony

    2012-01-01

    Education in entrepreneurship continues to be a developing area of curricula for computer science and information systems students. Entrepreneurship is enabled frequently by cloud computing methods that furnish benefits to especially medium and small-sized firms. Expanding upon an earlier foundation paper, the authors of this paper present an…

  20. Transforming information for computer-aided instruction: using a Socratic Dialogue method to teach gross anatomy.

    PubMed Central

    Constantinou, P.; Daane, S.; Dev, P.

    1994-01-01

    Traditional teaching of anatomy can be a difficult process of rote memorization. Computers allow information presentation to be much more dynamic, and interactive; the same information can be presented in multiple organizations. Using this idea, we have implemented a new pedagogy for computer-assisted instruction in The Anatomy Lesson, an interactive digital teacher which uses a "Socratic Dialogue" metaphor, as well as a textbook-like approach, to facilitate conceptual learning in anatomy. Images Figure 1 PMID:7949881

  1. 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

  2. Fully automated registration of first-pass myocardial perfusion MRI using independent component analysis.

    PubMed

    Milles, J; van der Geest, R J; Jerosch-Herold, M; Reiber, J H C; Lelieveldt, B P F

    2007-01-01

    This paper presents a novel method for registration of cardiac perfusion MRI. The presented method successfully corrects for breathing motion without any manual interaction using Independent Component Analysis to extract physiologically relevant features together with their time-intensity behavior. A time-varying reference image mimicking intensity changes in the data of interest is computed based on the results of ICA, and used to compute the displacement caused by breathing for each frame. Qualitative and quantitative validation of the method is carried out using 46 clinical quality, short-axis, perfusion MR datasets comprising 100 images each. Validation experiments showed a reduction of the average LV motion from 1.26+/-0.87 to 0.64+/-0.46 pixels. Time-intensity curves are also improved after registration with an average error reduced from 2.65+/-7.89% to 0.87+/-3.88% between registered data and manual gold standard. We conclude that this fully automatic ICA-based method shows an excellent accuracy, robustness and computation speed, adequate for use in a clinical environment.

  3. A Novel Automated Method for Analyzing Cylindrical Computed Tomography Data

    NASA Technical Reports Server (NTRS)

    Roth, D. J.; Burke, E. R.; Rauser, R. W.; Martin, R. E.

    2011-01-01

    A novel software method is presented that is applicable for analyzing cylindrical and partially cylindrical objects inspected using computed tomography. This method involves unwrapping and re-slicing data so that the CT data from the cylindrical object can be viewed as a series of 2-D sheets in the vertical direction in addition to volume rendering and normal plane views provided by traditional CT software. The method is based on interior and exterior surface edge detection and under proper conditions, is FULLY AUTOMATED and requires no input from the user except the correct voxel dimension from the CT scan. The software is available from NASA in 32- and 64-bit versions that can be applied to gigabyte-sized data sets, processing data either in random access memory or primarily on the computer hard drive. Please inquire with the presenting author if further interested. This software differentiates itself in total from other possible re-slicing software solutions due to complete automation and advanced processing and analysis capabilities.

  4. From the Teachers' Perspective: A Way of Simplicity for Multimedia Design

    ERIC Educational Resources Information Center

    Hirca, Necati

    2009-01-01

    Presently, teaching and presentation methods are changing from chalk and blackboards to interactive methods. Multimedia technology is presently used in many schools, however much of the commercially-available software programs don't allow teachers to share their experiences. Adobe Captivate 3 is a computer program that enables teachers, without…

  5. Exactly energy conserving semi-implicit particle in cell formulation

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

    Lapenta, Giovanni, E-mail: giovanni.lapenta@kuleuven.be

    We report a new particle in cell (PIC) method based on the semi-implicit approach. The novelty of the new method is that unlike any of its semi-implicit predecessors at the same time it retains the explicit computational cycle and conserves energy exactly. Recent research has presented fully implicit methods where energy conservation is obtained as part of a non-linear iteration procedure. The new method (referred to as Energy Conserving Semi-Implicit Method, ECSIM), instead, does not require any non-linear iteration and its computational cycle is similar to that of explicit PIC. The properties of the new method are: i) it conservesmore » energy exactly to round-off for any time step or grid spacing; ii) it is unconditionally stable in time, freeing the user from the need to resolve the electron plasma frequency and allowing the user to select any desired time step; iii) it eliminates the constraint of the finite grid instability, allowing the user to select any desired resolution without being forced to resolve the Debye length; iv) the particle mover has a computational complexity identical to that of the explicit PIC, only the field solver has an increased computational cost. The new ECSIM is tested in a number of benchmarks where accuracy and computational performance are tested. - Highlights: • We present a new fully energy conserving semi-implicit particle in cell (PIC) method based on the implicit moment method (IMM). The new method is called Energy Conserving Implicit Moment Method (ECIMM). • The novelty of the new method is that unlike any of its predecessors at the same time it retains the explicit computational cycle and conserves energy exactly. • The new method is unconditionally stable in time, freeing the user from the need to resolve the electron plasma frequency. • The new method eliminates the constraint of the finite grid instability, allowing the user to select any desired resolution without being forced to resolve the Debye length. • These features are achieved at a reduced cost compared with either previous IMM or fully implicit implementation of PIC.« less

  6. The development of an explicit thermochemical nonequilibrium algorithm and its application to compute three dimensional AFE flowfields

    NASA Technical Reports Server (NTRS)

    Palmer, Grant

    1989-01-01

    This study presents a three-dimensional explicit, finite-difference, shock-capturing numerical algorithm applied to viscous hypersonic flows in thermochemical nonequilibrium. The algorithm employs a two-temperature physical model. Equations governing the finite-rate chemical reactions are fully-coupled to the gas dynamic equations using a novel coupling technique. The new coupling method maintains stability in the explicit, finite-rate formulation while allowing relatively large global time steps. The code uses flux-vector accuracy. Comparisons with experimental data and other numerical computations verify the accuracy of the present method. The code is used to compute the three-dimensional flowfield over the Aeroassist Flight Experiment (AFE) vehicle at one of its trajectory points.

  7. A Two Colorable Fourth Order Compact Difference Scheme and Parallel Iterative Solution of the 3D Convection Diffusion Equation

    NASA Technical Reports Server (NTRS)

    Zhang, Jun; Ge, Lixin; Kouatchou, Jules

    2000-01-01

    A new fourth order compact difference scheme for the three dimensional convection diffusion equation with variable coefficients is presented. The novelty of this new difference scheme is that it Only requires 15 grid points and that it can be decoupled with two colors. The entire computational grid can be updated in two parallel subsweeps with the Gauss-Seidel type iterative method. This is compared with the known 19 point fourth order compact differenCe scheme which requires four colors to decouple the computational grid. Numerical results, with multigrid methods implemented on a shared memory parallel computer, are presented to compare the 15 point and the 19 point fourth order compact schemes.

  8. An enquiry into the method of paired comparison: reliability, scaling, and Thurstone's Law of Comparative Judgment

    Treesearch

    Thomas C. Brown; George L. Peterson

    2009-01-01

    The method of paired comparisons is used to measure individuals' preference orderings of items presented to them as discrete binary choices. This paper reviews the theory and application of the paired comparison method, describes a new computer program available for eliciting the choices, and presents an analysis of methods for scaling paired choice data to...

  9. Improving the Computational Effort of Set-Inversion-Based Prandial Insulin Delivery for Its Integration in Insulin Pumps

    PubMed Central

    León-Vargas, Fabian; Calm, Remei; Bondia, Jorge; Vehí, Josep

    2012-01-01

    Objective Set-inversion-based prandial insulin delivery is a new model-based bolus advisor for postprandial glucose control in type 1 diabetes mellitus (T1DM). It automatically coordinates the values of basal–bolus insulin to be infused during the postprandial period so as to achieve some predefined control objectives. However, the method requires an excessive computation time to compute the solution set of feasible insulin profiles, which impedes its integration into an insulin pump. In this work, a new algorithm is presented, which reduces computation time significantly and enables the integration of this new bolus advisor into current processing features of smart insulin pumps. Methods A new strategy was implemented that focused on finding the combined basal–bolus solution of interest rather than an extensive search of the feasible set of solutions. Analysis of interval simulations, inclusion of physiological assumptions, and search domain contractions were used. Data from six real patients with T1DM were used to compare the performance between the optimized and the conventional computations. Results In all cases, the optimized version yielded the basal–bolus combination recommended by the conventional method and in only 0.032% of the computation time. Simulations show that the mean number of iterations for the optimized computation requires approximately 3.59 s at 20 MHz processing power, in line with current features of smart pumps. Conclusions A computationally efficient method for basal–bolus coordination in postprandial glucose control has been presented and tested. The results indicate that an embedded algorithm within smart insulin pumps is now feasible. Nonetheless, we acknowledge that a clinical trial will be needed in order to justify this claim. PMID:23294789

  10. Systems analysis of the space shuttle. [communication systems, computer systems, and power distribution

    NASA Technical Reports Server (NTRS)

    Schilling, D. L.; Oh, S. J.; Thau, F.

    1975-01-01

    Developments in communications systems, computer systems, and power distribution systems for the space shuttle are described. The use of high speed delta modulation for bit rate compression in the transmission of television signals is discussed. Simultaneous Multiprocessor Organization, an approach to computer organization, is presented. Methods of computer simulation and automatic malfunction detection for the shuttle power distribution system are also described.

  11. A fast technique for computing syndromes of BCH and RS codes. [deep space network

    NASA Technical Reports Server (NTRS)

    Reed, I. S.; Truong, T. K.; Miller, R. L.

    1979-01-01

    A combination of the Chinese Remainder Theorem and Winograd's algorithm is used to compute transforms of odd length over GF(2 to the m power). Such transforms are used to compute the syndromes needed for decoding CBH and RS codes. The present scheme requires substantially fewer multiplications and additions than the conventional method of computing the syndromes directly.

  12. Parallel computation of three-dimensional aeroelastic fluid-structure interaction

    NASA Astrophysics Data System (ADS)

    Sadeghi, Mani

    This dissertation presents a numerical method for the parallel computation of aeroelasticity (ParCAE). A flow solver is coupled to a structural solver by use of a fluid-structure interface method. The integration of the three-dimensional unsteady Navier-Stokes equations is performed in the time domain, simultaneously to the integration of a modal three-dimensional structural model. The flow solution is accelerated by using a multigrid method and a parallel multiblock approach. Fluid-structure coupling is achieved by subiteration. A grid-deformation algorithm is developed to interpolate the deformation of the structural boundaries onto the flow grid. The code is formulated to allow application to general, three-dimensional, complex configurations with multiple independent structures. Computational results are presented for various configurations, such as turbomachinery blade rows and aircraft wings. Investigations are performed on vortex-induced vibrations, effects of cascade mistuning on flutter, and cases of nonlinear cascade and wing flutter.

  13. System and method for measuring residual stress

    DOEpatents

    Prime, Michael B.

    2002-01-01

    The present invention is a method and system for determining the residual stress within an elastic object. In the method, an elastic object is cut along a path having a known configuration. The cut creates a portion of the object having a new free surface. The free surface then deforms to a contour which is different from the path. Next, the contour is measured to determine how much deformation has occurred across the new free surface. Points defining the contour are collected in an empirical data set. The portion of the object is then modeled in a computer simulator. The points in the empirical data set are entered into the computer simulator. The computer simulator then calculates the residual stress along the path which caused the points within the object to move to the positions measured in the empirical data set. The calculated residual stress is then presented in a useful format to an analyst.

  14. Short-range density functional correlation within the restricted active space CI method

    NASA Astrophysics Data System (ADS)

    Casanova, David

    2018-03-01

    In the present work, I introduce a hybrid wave function-density functional theory electronic structure method based on the range separation of the electron-electron Coulomb operator in order to recover dynamic electron correlations missed in the restricted active space configuration interaction (RASCI) methodology. The working equations and the computational algorithm for the implementation of the new approach, i.e., RAS-srDFT, are presented, and the method is tested in the calculation of excitation energies of organic molecules. The good performance of the RASCI wave function in combination with different short-range exchange-correlation functionals in the computation of relative energies represents a quantitative improvement with respect to the RASCI results and paves the path for the development of RAS-srDFT as a promising scheme in the computation of the ground and excited states where nondynamic and dynamic electron correlations are important.

  15. 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

  16. Computational Relativistic Astrophysics Using the Flow Field-Dependent Variation Theory

    NASA Technical Reports Server (NTRS)

    Richardson, G. A.; Chung, T. J.

    2002-01-01

    We present our method for solving general relativistic nonideal hydrodynamics. Relativistic effects become pronounced in such cases as jet formation from black hole magnetized accretion disks which may lead to the study of gamma-ray bursts. Nonideal flows are present where radiation, magnetic forces, viscosities, and turbulence play an important role. Our concern in this paper is to reexamine existing numerical simulation tools as to the accuracy and efficiency of computations and introduce a new approach known as the flow field-dependent variation (FDV) method. The main feature of the FDV method consists of accommodating discontinuities of shock waves and high gradients of flow variables such as occur in turbulence and unstable motions. In this paper, the physics involved in the solution of relativistic hydrodynamics and solution strategies of the FDV theory are elaborated. The general relativistic astrophysical flow and shock solver (GRAFSS) is introduced, and some simple example problems for computational relativistic astrophysics (CRA) are demonstrated.

  17. Determination of efficiency of an aged HPGe detector for gaseous sources by self absorption correction and point source methods

    NASA Astrophysics Data System (ADS)

    Sarangapani, R.; Jose, M. T.; Srinivasan, T. K.; Venkatraman, B.

    2017-07-01

    Methods for the determination of efficiency of an aged high purity germanium (HPGe) detector for gaseous sources have been presented in the paper. X-ray radiography of the detector has been performed to get detector dimensions for computational purposes. The dead layer thickness of HPGe detector has been ascertained from experiments and Monte Carlo computations. Experimental work with standard point and liquid sources in several cylindrical geometries has been undertaken for obtaining energy dependant efficiency. Monte Carlo simulations have been performed for computing efficiencies for point, liquid and gaseous sources. Self absorption correction factors have been obtained using mathematical equations for volume sources and MCNP simulations. Self-absorption correction and point source methods have been used to estimate the efficiency for gaseous sources. The efficiencies determined from the present work have been used to estimate activity of cover gas sample of a fast reactor.

  18. Method for Identification of Results of Dynamic Overloads in Assessment of Safety Use of the Mine Auxiliary Transportation System

    NASA Astrophysics Data System (ADS)

    Tokarczyk, Jarosław

    2016-12-01

    Method for identification the effects of dynamic overload affecting the people, which may occur in the emergency state of suspended monorail is presented in the paper. The braking curve using MBS (Multi-Body System) simulation was determined. For this purpose a computational model (MBS) of suspended monorail was developed and two different variants of numerical calculations were carried out. An algorithm of conducting numerical simulations to assess the effects of dynamic overload acting on the suspended monorails' users is also posted in the paper. An example of computational model FEM (Finite Element Method) composed of technical mean and the anthropometrical model ATB (Articulated Total Body) is shown. The simulation results are presented: graph of HIC (Head Injury Criterion) parameter and successive phases of dislocation of ATB model. Generator of computational models for safety criterion, which enables preparation of input data and remote starting the simulation, is proposed.

  19. Rocket exhaust plume computer program improvement. Volume 1: Summary: Method of characteristics nozzle and plume programs

    NASA Technical Reports Server (NTRS)

    Ratliff, A. W.; Smith, S. D.; Penny, N. M.

    1972-01-01

    A summary is presented of the various documents that discuss and describe the computer programs and analysis techniques which are available for rocket nozzle and exhaust plume calculations. The basic method of characteristics program is discussed, along with such auxiliary programs as the plume impingement program, the plot program and the thermochemical properties program.

  20. 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.

  1. Multiscale Methods, Parallel Computation, and Neural Networks for Real-Time Computer Vision.

    NASA Astrophysics Data System (ADS)

    Battiti, Roberto

    1990-01-01

    This thesis presents new algorithms for low and intermediate level computer vision. The guiding ideas in the presented approach are those of hierarchical and adaptive processing, concurrent computation, and supervised learning. Processing of the visual data at different resolutions is used not only to reduce the amount of computation necessary to reach the fixed point, but also to produce a more accurate estimation of the desired parameters. The presented adaptive multiple scale technique is applied to the problem of motion field estimation. Different parts of the image are analyzed at a resolution that is chosen in order to minimize the error in the coefficients of the differential equations to be solved. Tests with video-acquired images show that velocity estimation is more accurate over a wide range of motion with respect to the homogeneous scheme. In some cases introduction of explicit discontinuities coupled to the continuous variables can be used to avoid propagation of visual information from areas corresponding to objects with different physical and/or kinematic properties. The human visual system uses concurrent computation in order to process the vast amount of visual data in "real -time." Although with different technological constraints, parallel computation can be used efficiently for computer vision. All the presented algorithms have been implemented on medium grain distributed memory multicomputers with a speed-up approximately proportional to the number of processors used. A simple two-dimensional domain decomposition assigns regions of the multiresolution pyramid to the different processors. The inter-processor communication needed during the solution process is proportional to the linear dimension of the assigned domain, so that efficiency is close to 100% if a large region is assigned to each processor. Finally, learning algorithms are shown to be a viable technique to engineer computer vision systems for different applications starting from multiple-purpose modules. In the last part of the thesis a well known optimization method (the Broyden-Fletcher-Goldfarb-Shanno memoryless quasi -Newton method) is applied to simple classification problems and shown to be superior to the "error back-propagation" algorithm for numerical stability, automatic selection of parameters, and convergence properties.

  2. Correlative multiple porosimetries for reservoir sandstones with adoption of a new reference-sample-guided computed-tomographic method.

    PubMed

    Jin, Jae Hwa; Kim, Junho; Lee, Jeong-Yil; Oh, Young Min

    2016-07-22

    One of the main interests in petroleum geology and reservoir engineering is to quantify the porosity of reservoir beds as accurately as possible. A variety of direct measurements, including methods of mercury intrusion, helium injection and petrographic image analysis, have been developed; however, their application frequently yields equivocal results because these methods are different in theoretical bases, means of measurement, and causes of measurement errors. Here, we present a set of porosities measured in Berea Sandstone samples by the multiple methods, in particular with adoption of a new method using computed tomography and reference samples. The multiple porosimetric data show a marked correlativeness among different methods, suggesting that these methods are compatible with each other. The new method of reference-sample-guided computed tomography is more effective than the previous methods when the accompanied merits such as experimental conveniences are taken into account.

  3. Correlative multiple porosimetries for reservoir sandstones with adoption of a new reference-sample-guided computed-tomographic method

    PubMed Central

    Jin, Jae Hwa; Kim, Junho; Lee, Jeong-Yil; Oh, Young Min

    2016-01-01

    One of the main interests in petroleum geology and reservoir engineering is to quantify the porosity of reservoir beds as accurately as possible. A variety of direct measurements, including methods of mercury intrusion, helium injection and petrographic image analysis, have been developed; however, their application frequently yields equivocal results because these methods are different in theoretical bases, means of measurement, and causes of measurement errors. Here, we present a set of porosities measured in Berea Sandstone samples by the multiple methods, in particular with adoption of a new method using computed tomography and reference samples. The multiple porosimetric data show a marked correlativeness among different methods, suggesting that these methods are compatible with each other. The new method of reference-sample-guided computed tomography is more effective than the previous methods when the accompanied merits such as experimental conveniences are taken into account. PMID:27445105

  4. Nonequilibrium scheme for computing the flux of the convection-diffusion equation in the framework of the lattice Boltzmann method.

    PubMed

    Chai, Zhenhua; Zhao, T S

    2014-07-01

    In this paper, we propose a local nonequilibrium scheme for computing the flux of the convection-diffusion equation with a source term in the framework of the multiple-relaxation-time (MRT) lattice Boltzmann method (LBM). Both the Chapman-Enskog analysis and the numerical results show that, at the diffusive scaling, the present nonequilibrium scheme has a second-order convergence rate in space. A comparison between the nonequilibrium scheme and the conventional second-order central-difference scheme indicates that, although both schemes have a second-order convergence rate in space, the present nonequilibrium scheme is more accurate than the central-difference scheme. In addition, the flux computation rendered by the present scheme also preserves the parallel computation feature of the LBM, making the scheme more efficient than conventional finite-difference schemes in the study of large-scale problems. Finally, a comparison between the single-relaxation-time model and the MRT model is also conducted, and the results show that the MRT model is more accurate than the single-relaxation-time model, both in solving the convection-diffusion equation and in computing the flux.

  5. Computation of turbulent flow in a thin liquid layer of fluid involving a hydraulic jump

    NASA Technical Reports Server (NTRS)

    Rahman, M. M.; Faghri, A.; Hankey, W. L.

    1991-01-01

    Numerically computed flow fields and free surface height distributions are presented for the flow of a thin layer of liquid adjacent to a solid horizontal surface that encounters a hydraulic jump. Two kinds of flow configurations are considered: two-dimensional plane flow and axisymmetric radial flow. The computations used a boundary-fitted moving grid method with a k-epsilon model for the closure of turbulence. The free surface height was determined by an optimization procedure which minimized the error in the pressure distribution on the free surface. It was also checked against an approximate procedure involving integration of the governing equations and use of the MacCormack predictor-corrector method. The computed film height also compared reasonably well with previous experiments. A region of recirculating flow was found to be present adjacent to the solid boundary near the location of the jump, which was caused by a rapid deceleration of the flow.

  6. Application of CFD to a generic hypersonic flight research study

    NASA Technical Reports Server (NTRS)

    Green, Michael J.; Lawrence, Scott L.; Dilley, Arthur D.; Hawkins, Richard W.; Walker, Mary M.; Oberkampf, William L.

    1993-01-01

    Computational analyses have been performed for the initial assessment of flight research vehicle concepts that satisfy requirements for potential hypersonic experiments. Results were obtained from independent analyses at NASA Ames, NASA Langley, and Sandia National Labs, using sophisticated time-dependent Navier-Stokes and parabolized Navier-Stokes methods. Careful study of a common problem consisting of hypersonic flow past a slightly blunted conical forebody was undertaken to estimate the level of uncertainty in the computed results, and to assess the capabilities of current computational methods for predicting boundary-layer transition onset. Results of this study in terms of surface pressure and heat transfer comparisons, as well as comparisons of boundary-layer edge quantities and flow-field profiles are presented here. Sensitivities to grid and gas model are discussed. Finally, representative results are presented relating to the use of Computational Fluid Dynamics in the vehicle design and the integration/support of potential experiments.

  7. Confidence Intervals for Error Rates Observed in Coded Communications Systems

    NASA Astrophysics Data System (ADS)

    Hamkins, J.

    2015-05-01

    We present methods to compute confidence intervals for the codeword error rate (CWER) and bit error rate (BER) of a coded communications link. We review several methods to compute exact and approximate confidence intervals for the CWER, and specifically consider the situation in which the true CWER is so low that only a handful, if any, codeword errors are able to be simulated. In doing so, we answer the question of how long an error-free simulation must be run in order to certify that a given CWER requirement is met with a given level of confidence, and discuss the bias introduced by aborting a simulation after observing the first codeword error. Next, we turn to the lesser studied problem of determining confidence intervals for the BER of coded systems. Since bit errors in systems that use coding or higher-order modulation do not occur independently, blind application of a method that assumes independence leads to inappropriately narrow confidence intervals. We present a new method to compute the confidence interval properly, using the first and second sample moments of the number of bit errors per codeword. This is the first method we know of to compute a confidence interval for the BER of a coded or higher-order modulation system.

  8. Thermodynamic free energy methods to investigate shape transitions in bilayer membranes.

    PubMed

    Ramakrishnan, N; Tourdot, Richard W; Radhakrishnan, Ravi

    2016-06-01

    The conformational free energy landscape of a system is a fundamental thermodynamic quantity of importance particularly in the study of soft matter and biological systems, in which the entropic contributions play a dominant role. While computational methods to delineate the free energy landscape are routinely used to analyze the relative stability of conformational states, to determine phase boundaries, and to compute ligand-receptor binding energies its use in problems involving the cell membrane is limited. Here, we present an overview of four different free energy methods to study morphological transitions in bilayer membranes, induced either by the action of curvature remodeling proteins or due to the application of external forces. Using a triangulated surface as a model for the cell membrane and using the framework of dynamical triangulation Monte Carlo, we have focused on the methods of Widom insertion, thermodynamic integration, Bennett acceptance scheme, and umbrella sampling and weighted histogram analysis. We have demonstrated how these methods can be employed in a variety of problems involving the cell membrane. Specifically, we have shown that the chemical potential, computed using Widom insertion, and the relative free energies, computed using thermodynamic integration and Bennett acceptance method, are excellent measures to study the transition from curvature sensing to curvature inducing behavior of membrane associated proteins. The umbrella sampling and WHAM analysis has been used to study the thermodynamics of tether formation in cell membranes and the quantitative predictions of the computational model are in excellent agreement with experimental measurements. Furthermore, we also present a method based on WHAM and thermodynamic integration to handle problems related to end-point-catastrophe that are common in most free energy methods.

  9. Novel metaheuristic for parameter estimation in nonlinear dynamic biological systems

    PubMed Central

    Rodriguez-Fernandez, Maria; Egea, Jose A; Banga, Julio R

    2006-01-01

    Background We consider the problem of parameter estimation (model calibration) in nonlinear dynamic models of biological systems. Due to the frequent ill-conditioning and multi-modality of many of these problems, traditional local methods usually fail (unless initialized with very good guesses of the parameter vector). In order to surmount these difficulties, global optimization (GO) methods have been suggested as robust alternatives. Currently, deterministic GO methods can not solve problems of realistic size within this class in reasonable computation times. In contrast, certain types of stochastic GO methods have shown promising results, although the computational cost remains large. Rodriguez-Fernandez and coworkers have presented hybrid stochastic-deterministic GO methods which could reduce computation time by one order of magnitude while guaranteeing robustness. Our goal here was to further reduce the computational effort without loosing robustness. Results We have developed a new procedure based on the scatter search methodology for nonlinear optimization of dynamic models of arbitrary (or even unknown) structure (i.e. black-box models). In this contribution, we describe and apply this novel metaheuristic, inspired by recent developments in the field of operations research, to a set of complex identification problems and we make a critical comparison with respect to the previous (above mentioned) successful methods. Conclusion Robust and efficient methods for parameter estimation are of key importance in systems biology and related areas. The new metaheuristic presented in this paper aims to ensure the proper solution of these problems by adopting a global optimization approach, while keeping the computational effort under reasonable values. This new metaheuristic was applied to a set of three challenging parameter estimation problems of nonlinear dynamic biological systems, outperforming very significantly all the methods previously used for these benchmark problems. PMID:17081289

  10. Novel metaheuristic for parameter estimation in nonlinear dynamic biological systems.

    PubMed

    Rodriguez-Fernandez, Maria; Egea, Jose A; Banga, Julio R

    2006-11-02

    We consider the problem of parameter estimation (model calibration) in nonlinear dynamic models of biological systems. Due to the frequent ill-conditioning and multi-modality of many of these problems, traditional local methods usually fail (unless initialized with very good guesses of the parameter vector). In order to surmount these difficulties, global optimization (GO) methods have been suggested as robust alternatives. Currently, deterministic GO methods can not solve problems of realistic size within this class in reasonable computation times. In contrast, certain types of stochastic GO methods have shown promising results, although the computational cost remains large. Rodriguez-Fernandez and coworkers have presented hybrid stochastic-deterministic GO methods which could reduce computation time by one order of magnitude while guaranteeing robustness. Our goal here was to further reduce the computational effort without loosing robustness. We have developed a new procedure based on the scatter search methodology for nonlinear optimization of dynamic models of arbitrary (or even unknown) structure (i.e. black-box models). In this contribution, we describe and apply this novel metaheuristic, inspired by recent developments in the field of operations research, to a set of complex identification problems and we make a critical comparison with respect to the previous (above mentioned) successful methods. Robust and efficient methods for parameter estimation are of key importance in systems biology and related areas. The new metaheuristic presented in this paper aims to ensure the proper solution of these problems by adopting a global optimization approach, while keeping the computational effort under reasonable values. This new metaheuristic was applied to a set of three challenging parameter estimation problems of nonlinear dynamic biological systems, outperforming very significantly all the methods previously used for these benchmark problems.

  11. Thrombosis in Cerebral Aneurysms and the Computational Modeling Thereof: A Review

    PubMed Central

    Ngoepe, Malebogo N.; Frangi, Alejandro F.; Byrne, James V.; Ventikos, Yiannis

    2018-01-01

    Thrombosis is a condition closely related to cerebral aneurysms and controlled thrombosis is the main purpose of endovascular embolization treatment. The mechanisms governing thrombus initiation and evolution in cerebral aneurysms have not been fully elucidated and this presents challenges for interventional planning. Significant effort has been directed towards developing computational methods aimed at streamlining the interventional planning process for unruptured cerebral aneurysm treatment. Included in these methods are computational models of thrombus development following endovascular device placement. The main challenge with developing computational models for thrombosis in disease cases is that there exists a wide body of literature that addresses various aspects of the clotting process, but it may not be obvious what information is of direct consequence for what modeling purpose (e.g., for understanding the effect of endovascular therapies). The aim of this review is to present the information so it will be of benefit to the community attempting to model cerebral aneurysm thrombosis for interventional planning purposes, in a simplified yet appropriate manner. The paper begins by explaining current understanding of physiological coagulation and highlights the documented distinctions between the physiological process and cerebral aneurysm thrombosis. Clinical observations of thrombosis following endovascular device placement are then presented. This is followed by a section detailing the demands placed on computational models developed for interventional planning. Finally, existing computational models of thrombosis are presented. This last section begins with description and discussion of physiological computational clotting models, as they are of immense value in understanding how to construct a general computational model of clotting. This is then followed by a review of computational models of clotting in cerebral aneurysms, specifically. Even though some progress has been made towards computational predictions of thrombosis following device placement in cerebral aneurysms, many gaps still remain. Answering the key questions will require the combined efforts of the clinical, experimental and computational communities. PMID:29670533

  12. Thrombosis in Cerebral Aneurysms and the Computational Modeling Thereof: A Review.

    PubMed

    Ngoepe, Malebogo N; Frangi, Alejandro F; Byrne, James V; Ventikos, Yiannis

    2018-01-01

    Thrombosis is a condition closely related to cerebral aneurysms and controlled thrombosis is the main purpose of endovascular embolization treatment. The mechanisms governing thrombus initiation and evolution in cerebral aneurysms have not been fully elucidated and this presents challenges for interventional planning. Significant effort has been directed towards developing computational methods aimed at streamlining the interventional planning process for unruptured cerebral aneurysm treatment. Included in these methods are computational models of thrombus development following endovascular device placement. The main challenge with developing computational models for thrombosis in disease cases is that there exists a wide body of literature that addresses various aspects of the clotting process, but it may not be obvious what information is of direct consequence for what modeling purpose (e.g., for understanding the effect of endovascular therapies). The aim of this review is to present the information so it will be of benefit to the community attempting to model cerebral aneurysm thrombosis for interventional planning purposes, in a simplified yet appropriate manner. The paper begins by explaining current understanding of physiological coagulation and highlights the documented distinctions between the physiological process and cerebral aneurysm thrombosis. Clinical observations of thrombosis following endovascular device placement are then presented. This is followed by a section detailing the demands placed on computational models developed for interventional planning. Finally, existing computational models of thrombosis are presented. This last section begins with description and discussion of physiological computational clotting models, as they are of immense value in understanding how to construct a general computational model of clotting. This is then followed by a review of computational models of clotting in cerebral aneurysms, specifically. Even though some progress has been made towards computational predictions of thrombosis following device placement in cerebral aneurysms, many gaps still remain. Answering the key questions will require the combined efforts of the clinical, experimental and computational communities.

  13. Exact parallel algorithms for some members of the traveling salesman problem family

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

    Pekny, J.F.

    1989-01-01

    The traveling salesman problem and its many generalizations comprise one of the best known combinatorial optimization problem families. Most members of the family are NP-complete problems so that exact algorithms require an unpredictable and sometimes large computational effort. Parallel computers offer hope for providing the power required to meet these demands. A major barrier to applying parallel computers is the lack of parallel algorithms. The contributions presented in this thesis center around new exact parallel algorithms for the asymmetric traveling salesman problem (ATSP), prize collecting traveling salesman problem (PCTSP), and resource constrained traveling salesman problem (RCTSP). The RCTSP is amore » particularly difficult member of the family since finding a feasible solution is an NP-complete problem. An exact sequential algorithm is also presented for the directed hamiltonian cycle problem (DHCP). The DHCP algorithm is superior to current heuristic approaches and represents the first exact method applicable to large graphs. Computational results presented for each of the algorithms demonstrates the effectiveness of combining efficient algorithms with parallel computing methods. Performance statistics are reported for randomly generated ATSPs with 7,500 cities, PCTSPs with 200 cities, RCTSPs with 200 cities, DHCPs with 3,500 vertices, and assignment problems of size 10,000. Sequential results were collected on a Sun 4/260 engineering workstation, while parallel results were collected using a 14 and 100 processor BBN Butterfly Plus computer. The computational results represent the largest instances ever solved to optimality on any type of computer.« less

  14. Distributed-Lagrange-Multiplier-based computational method for particulate flow with collisions

    NASA Astrophysics Data System (ADS)

    Ardekani, Arezoo; Rangel, Roger

    2006-11-01

    A Distributed-Lagrange-Multiplier-based computational method is developed for colliding particles in a solid-fluid system. A numerical simulation is conducted in two dimensions using the finite volume method. The entire domain is treated as a fluid but the fluid in the particle domains satisfies a rigidity constraint. We present an efficient method for predicting the collision between particles. In earlier methods, a repulsive force was applied to the particles when their distance was less than a critical value. In this method, an impulsive force is computed. During the frictionless collision process between two particles, linear momentum is conserved while the tangential forces are zero. Thus, instead of satisfying a condition of rigid body motion for each particle separately, as done when particles are not in contact, both particles are rigidified together along their line of centers. Particles separate from each other when the impulsive force is less than zero and after this time, a rigidity constraint is satisfied for each particle separately. Grid independency is implemented to ensure the accuracy of the numerical simulation. A comparison between this method and previous collision strategies is presented and discussed.

  15. Knowledge and intelligent computing system in medicine.

    PubMed

    Pandey, Babita; Mishra, R B

    2009-03-01

    Knowledge-based systems (KBS) and intelligent computing systems have been used in the medical planning, diagnosis and treatment. The KBS consists of rule-based reasoning (RBR), case-based reasoning (CBR) and model-based reasoning (MBR) whereas intelligent computing method (ICM) encompasses genetic algorithm (GA), artificial neural network (ANN), fuzzy logic (FL) and others. The combination of methods in KBS such as CBR-RBR, CBR-MBR and RBR-CBR-MBR and the combination of methods in ICM is ANN-GA, fuzzy-ANN, fuzzy-GA and fuzzy-ANN-GA. The combination of methods from KBS to ICM is RBR-ANN, CBR-ANN, RBR-CBR-ANN, fuzzy-RBR, fuzzy-CBR and fuzzy-CBR-ANN. In this paper, we have made a study of different singular and combined methods (185 in number) applicable to medical domain from mid 1970s to 2008. The study is presented in tabular form, showing the methods and its salient features, processes and application areas in medical domain (diagnosis, treatment and planning). It is observed that most of the methods are used in medical diagnosis very few are used for planning and moderate number in treatment. The study and its presentation in this context would be helpful for novice researchers in the area of medical expert system.

  16. New Numerical Approaches To thermal Convection In A Compositionally Stratified Fluid

    NASA Astrophysics Data System (ADS)

    Puckett, E. G.; Turcotte, D. L.; Kellogg, L. H.; Lokavarapu, H. V.; He, Y.; Robey, J.

    2016-12-01

    Seismic imaging of the mantle has revealed large and small scale heterogeneities in the lower mantle; specifically structures known as large low shear velocity provinces (LLSVP) below Africa and the South Pacific. Most interpretations propose that the heterogeneities are compositional in nature, differing from the overlying mantle, an interpretation that would be consistent with chemical geodynamic models. The LLSVP's are thought to be very old, meaning they have persisted thoughout much of Earth's history. Numerical modeling of persistent compositional interfaces present challenges to even state-of-the-art numerical methodology. It is extremely difficult to maintain sharp composition boundaries which migrate and distort with time dependent fingering without compositional diffusion and / or artificial diffusion. The compositional boundary must persist indefinitely. In this work we present computations of an initial compositionally stratified fluid that is subject to a thermal gradient ΔT = T1 - T0 across the height D of a rectangular domain over a range of buoyancy numbers B and Rayleigh numbers Ra. In these computations we compare three numerical approaches to modeling the movement of two distinct, thermally driven, compositional fields; namely, a high-order Finte Element Method (FEM) that employs artifical viscosity to preserve the maximum and minimum values of the compositional field, a Discontinous Galerkin (DG) method with a Bound Preserving (BP) limiter, and a Volume-of-Fluid (VOF) interface tracking algorithm. Our computations demonstrate that the FEM approach has far too much numerical diffusion to yield meaningful results, the DGBP method yields much better resuts but with small amounts of each compositional field being (numerically) entrained within the other compositional field, while the VOF method maintains a sharp interface between the two compositions throughout the computation. In the figure we show a comparison of between the three methods for a computation made with B = 1.111 and Ra = 10,000 after the flow has reached 'steady state'. (R) the images computed with the standard FEM method (with artifical viscosity), (C) the images computed with the DGBP method (with no artifical viscosity or diffusion due to discretization errors) and (L) the images computed with the VOF algorithm.

  17. Computationally Efficient Clustering of Audio-Visual Meeting Data

    NASA Astrophysics Data System (ADS)

    Hung, Hayley; Friedland, Gerald; Yeo, Chuohao

    This chapter presents novel computationally efficient algorithms to extract semantically meaningful acoustic and visual events related to each of the participants in a group discussion using the example of business meeting recordings. The recording setup involves relatively few audio-visual sensors, comprising a limited number of cameras and microphones. We first demonstrate computationally efficient algorithms that can identify who spoke and when, a problem in speech processing known as speaker diarization. We also extract visual activity features efficiently from MPEG4 video by taking advantage of the processing that was already done for video compression. Then, we present a method of associating the audio-visual data together so that the content of each participant can be managed individually. The methods presented in this article can be used as a principal component that enables many higher-level semantic analysis tasks needed in search, retrieval, and navigation.

  18. An Exact Dual Adjoint Solution Method for Turbulent Flows on Unstructured Grids

    NASA Technical Reports Server (NTRS)

    Nielsen, Eric J.; Lu, James; Park, Michael A.; Darmofal, David L.

    2003-01-01

    An algorithm for solving the discrete adjoint system based on an unstructured-grid discretization of the Navier-Stokes equations is presented. The method is constructed such that an adjoint solution exactly dual to a direct differentiation approach is recovered at each time step, yielding a convergence rate which is asymptotically equivalent to that of the primal system. The new approach is implemented within a three-dimensional unstructured-grid framework and results are presented for inviscid, laminar, and turbulent flows. Improvements to the baseline solution algorithm, such as line-implicit relaxation and a tight coupling of the turbulence model, are also presented. By storing nearest-neighbor terms in the residual computation, the dual scheme is computationally efficient, while requiring twice the memory of the flow solution. The scheme is expected to have a broad impact on computational problems related to design optimization as well as error estimation and grid adaptation efforts.

  19. Fast Geostatistical Inversion using Randomized Matrix Decompositions and Sketchings for Heterogeneous Aquifer Characterization

    NASA Astrophysics Data System (ADS)

    O'Malley, D.; Le, E. B.; Vesselinov, V. V.

    2015-12-01

    We present a fast, scalable, and highly-implementable stochastic inverse method for characterization of aquifer heterogeneity. The method utilizes recent advances in randomized matrix algebra and exploits the structure of the Quasi-Linear Geostatistical Approach (QLGA), without requiring a structured grid like Fast-Fourier Transform (FFT) methods. The QLGA framework is a more stable version of Gauss-Newton iterates for a large number of unknown model parameters, but provides unbiased estimates. The methods are matrix-free and do not require derivatives or adjoints, and are thus ideal for complex models and black-box implementation. We also incorporate randomized least-square solvers and data-reduction methods, which speed up computation and simulate missing data points. The new inverse methodology is coded in Julia and implemented in the MADS computational framework (http://mads.lanl.gov). Julia is an advanced high-level scientific programing language that allows for efficient memory management and utilization of high-performance computational resources. Inversion results based on series of synthetic problems with steady-state and transient calibration data are presented.

  20. Global Optimal Trajectory in Chaos and NP-Hardness

    NASA Astrophysics Data System (ADS)

    Latorre, Vittorio; Gao, David Yang

    This paper presents an unconventional theory and method for solving general nonlinear dynamical systems. Instead of the direct iterative methods, the discretized nonlinear system is first formulated as a global optimization problem via the least squares method. A newly developed canonical duality theory shows that this nonconvex minimization problem can be solved deterministically in polynomial time if a global optimality condition is satisfied. The so-called pseudo-chaos produced by linear iterative methods are mainly due to the intrinsic numerical error accumulations. Otherwise, the global optimization problem could be NP-hard and the nonlinear system can be really chaotic. A conjecture is proposed, which reveals the connection between chaos in nonlinear dynamics and NP-hardness in computer science. The methodology and the conjecture are verified by applications to the well-known logistic equation, a forced memristive circuit and the Lorenz system. Computational results show that the canonical duality theory can be used to identify chaotic systems and to obtain realistic global optimal solutions in nonlinear dynamical systems. The method and results presented in this paper should bring some new insights into nonlinear dynamical systems and NP-hardness in computational complexity theory.

  1. Stochastic DT-MRI connectivity mapping on the GPU.

    PubMed

    McGraw, Tim; Nadar, Mariappan

    2007-01-01

    We present a method for stochastic fiber tract mapping from diffusion tensor MRI (DT-MRI) implemented on graphics hardware. From the simulated fibers we compute a connectivity map that gives an indication of the probability that two points in the dataset are connected by a neuronal fiber path. A Bayesian formulation of the fiber model is given and it is shown that the inversion method can be used to construct plausible connectivity. An implementation of this fiber model on the graphics processing unit (GPU) is presented. Since the fiber paths can be stochastically generated independently of one another, the algorithm is highly parallelizable. This allows us to exploit the data-parallel nature of the GPU fragment processors. We also present a framework for the connectivity computation on the GPU. Our implementation allows the user to interactively select regions of interest and observe the evolving connectivity results during computation. Results are presented from the stochastic generation of over 250,000 fiber steps per iteration at interactive frame rates on consumer-grade graphics hardware.

  2. A rapid parallelization of cone-beam projection and back-projection operator based on texture fetching interpolation

    NASA Astrophysics Data System (ADS)

    Xie, Lizhe; Hu, Yining; Chen, Yang; Shi, Luyao

    2015-03-01

    Projection and back-projection are the most computational consuming parts in Computed Tomography (CT) reconstruction. Parallelization strategies using GPU computing techniques have been introduced. We in this paper present a new parallelization scheme for both projection and back-projection. The proposed method is based on CUDA technology carried out by NVIDIA Corporation. Instead of build complex model, we aimed on optimizing the existing algorithm and make it suitable for CUDA implementation so as to gain fast computation speed. Besides making use of texture fetching operation which helps gain faster interpolation speed, we fixed sampling numbers in the computation of projection, to ensure the synchronization of blocks and threads, thus prevents the latency caused by inconsistent computation complexity. Experiment results have proven the computational efficiency and imaging quality of the proposed method.

  3. Theory and Computation of Optimal Low- and Medium- Thrust Orbit Transfers

    NASA Technical Reports Server (NTRS)

    Goodson, Troy D.; Chuang, Jason C. H.; Ledsinger, Laura A.

    1996-01-01

    This report presents new theoretical results which lead to new algorithms for the computation of fuel-optimal multiple-burn orbit transfers of low and medium thrust. Theoretical results introduced herein show how to add burns to an optimal trajectory and show that the traditional set of necessary conditions may be replaced with a much simpler set of equations. Numerical results are presented to demonstrate the utility of the theoretical results and the new algorithms. Two indirect methods from the literature are shown to be effective for the optimal orbit transfer problem with relatively small numbers of burns. These methods are the Minimizing Boundary Condition Method (MBCM) and BOUNDSCO. Both of these methods make use of the first-order necessary conditions exactly as derived by optimal control theory. Perturbations due to Earth's oblateness and atmospheric drag are considered. These perturbations are of greatest interest for transfers that take place between low Earth orbit altitudes and geosynchronous orbit altitudes. Example extremal solutions including these effects and computed by the aforementioned methods are presented. An investigation is also made into a suboptimal multiple-burn guidance scheme. The FORTRAN code developed for this study has been collected together in a package named ORBPACK. ORBPACK's user manual is provided as an appendix to this report.

  4. A Higher Order Iterative Method for Computing the Drazin Inverse

    PubMed Central

    Soleymani, F.; Stanimirović, Predrag S.

    2013-01-01

    A method with high convergence rate for finding approximate inverses of nonsingular matrices is suggested and established analytically. An extension of the introduced computational scheme to general square matrices is defined. The extended method could be used for finding the Drazin inverse. The application of the scheme on large sparse test matrices alongside the use in preconditioning of linear system of equations will be presented to clarify the contribution of the paper. PMID:24222747

  5. Mixed convection flow of viscoelastic fluid by a stretching cylinder with heat transfer.

    PubMed

    Hayat, Tasawar; Anwar, Muhammad Shoaib; Farooq, Muhammad; Alsaedi, Ahmad

    2015-01-01

    Flow of viscoelastic fluid due to an impermeable stretching cylinder is discussed. Effects of mixed convection and variable thermal conductivity are present. Thermal conductivity is taken temperature dependent. Nonlinear partial differential system is reduced into the nonlinear ordinary differential system. Resulting nonlinear system is computed for the convergent series solutions. Numerical values of skin friction coefficient and Nusselt number are computed and discussed. The results obtained with the current method are in agreement with previous studies using other methods as well as theoretical ideas. Physical interpretation reflecting the contribution of influential parameters in the present flow is presented. It is hoped that present study serves as a stimulus for modeling further stretching flows especially in polymeric and paper production processes.

  6. Mixed Convection Flow of Viscoelastic Fluid by a Stretching Cylinder with Heat Transfer

    PubMed Central

    Hayat, Tasawar; Anwar, Muhammad Shoaib; Farooq, Muhammad; Alsaedi, Ahmad

    2015-01-01

    Flow of viscoelastic fluid due to an impermeable stretching cylinder is discussed. Effects of mixed convection and variable thermal conductivity are present. Thermal conductivity is taken temperature dependent. Nonlinear partial differential system is reduced into the nonlinear ordinary differential system. Resulting nonlinear system is computed for the convergent series solutions. Numerical values of skin friction coefficient and Nusselt number are computed and discussed. The results obtained with the current method are in agreement with previous studies using other methods as well as theoretical ideas. Physical interpretation reflecting the contribution of influential parameters in the present flow is presented. It is hoped that present study serves as a stimulus for modeling further stretching flows especially in polymeric and paper production processes. PMID:25775032

  7. Effect of Jigsaw II, Reading-Writing-Presentation, and Computer Animations on the Teaching of "Light" Unit

    ERIC Educational Resources Information Center

    Koç, Yasemin; Yildiz, Emre; Çaliklar, Seyma; Simsek, Ümit

    2016-01-01

    The aim of this study is to determine the effect of Jigsaw II technique, reading-writing-presentation method, and computer animation on students' academic achievements, epistemological beliefs, attitudes towards science lesson, and the retention of knowledge in the "Light" unit covered in the 7th grade. The sample of the study consists…

  8. Using 3D Computer Graphics Multimedia to Motivate Preservice Teachers' Learning of Geometry and Pedagogy

    ERIC Educational Resources Information Center

    Goodson-Espy, Tracy; Lynch-Davis, Kathleen; Schram, Pamela; Quickenton, Art

    2010-01-01

    This paper describes the genesis and purpose of our geometry methods course, focusing on a geometry-teaching technology we created using NVIDIA[R] Chameleon demonstration. This article presents examples from a sequence of lessons centered about a 3D computer graphics demonstration of the chameleon and its geometry. In addition, we present data…

  9. Item Difficulty in the Evaluation of Computer-Based Instruction: An Example from Neuroanatomy

    PubMed Central

    Chariker, Julia H.; Naaz, Farah; Pani, John R.

    2012-01-01

    This article reports large item effects in a study of computer-based learning of neuroanatomy. Outcome measures of the efficiency of learning, transfer of learning, and generalization of knowledge diverged by a wide margin across test items, with certain sets of items emerging as particularly difficult to master. In addition, the outcomes of comparisons between instructional methods changed with the difficulty of the items to be learned. More challenging items better differentiated between instructional methods. This set of results is important for two reasons. First, it suggests that instruction may be more efficient if sets of consistently difficult items are the targets of instructional methods particularly suited to them. Second, there is wide variation in the published literature regarding the outcomes of empirical evaluations of computer-based instruction. As a consequence, many questions arise as to the factors that may affect such evaluations. The present paper demonstrates that the level of challenge in the material that is presented to learners is an important factor to consider in the evaluation of a computer-based instructional system. PMID:22231801

  10. Item difficulty in the evaluation of computer-based instruction: an example from neuroanatomy.

    PubMed

    Chariker, Julia H; Naaz, Farah; Pani, John R

    2012-01-01

    This article reports large item effects in a study of computer-based learning of neuroanatomy. Outcome measures of the efficiency of learning, transfer of learning, and generalization of knowledge diverged by a wide margin across test items, with certain sets of items emerging as particularly difficult to master. In addition, the outcomes of comparisons between instructional methods changed with the difficulty of the items to be learned. More challenging items better differentiated between instructional methods. This set of results is important for two reasons. First, it suggests that instruction may be more efficient if sets of consistently difficult items are the targets of instructional methods particularly suited to them. Second, there is wide variation in the published literature regarding the outcomes of empirical evaluations of computer-based instruction. As a consequence, many questions arise as to the factors that may affect such evaluations. The present article demonstrates that the level of challenge in the material that is presented to learners is an important factor to consider in the evaluation of a computer-based instructional system. Copyright © 2011 American Association of Anatomists.

  11. Improving communication when seeking informed consent: a randomised controlled study of a computer-based method for providing information to prospective clinical trial participants.

    PubMed

    Karunaratne, Asuntha S; Korenman, Stanley G; Thomas, Samantha L; Myles, Paul S; Komesaroff, Paul A

    2010-04-05

    To assess the efficacy, with respect to participant understanding of information, of a computer-based approach to communication about complex, technical issues that commonly arise when seeking informed consent for clinical research trials. An open, randomised controlled study of 60 patients with diabetes mellitus, aged 27-70 years, recruited between August 2006 and October 2007 from the Department of Diabetes and Endocrinology at the Alfred Hospital and Baker IDI Heart and Diabetes Institute, Melbourne. Participants were asked to read information about a mock study via a computer-based presentation (n = 30) or a conventional paper-based information statement (n = 30). The computer-based presentation contained visual aids, including diagrams, video, hyperlinks and quiz pages. Understanding of information as assessed by quantitative and qualitative means. Assessment scores used to measure level of understanding were significantly higher in the group that completed the computer-based task than the group that completed the paper-based task (82% v 73%; P = 0.005). More participants in the group that completed the computer-based task expressed interest in taking part in the mock study (23 v 17 participants; P = 0.01). Most participants from both groups preferred the idea of a computer-based presentation to the paper-based statement (21 in the computer-based task group, 18 in the paper-based task group). A computer-based method of providing information may help overcome existing deficiencies in communication about clinical research, and may reduce costs and improve efficiency in recruiting participants for clinical trials.

  12. EIT image reconstruction based on a hybrid FE-EFG forward method and the complete-electrode model.

    PubMed

    Hadinia, M; Jafari, R; Soleimani, M

    2016-06-01

    This paper presents the application of the hybrid finite element-element free Galerkin (FE-EFG) method for the forward and inverse problems of electrical impedance tomography (EIT). The proposed method is based on the complete electrode model. Finite element (FE) and element-free Galerkin (EFG) methods are accurate numerical techniques. However, the FE technique has meshing task problems and the EFG method is computationally expensive. In this paper, the hybrid FE-EFG method is applied to take both advantages of FE and EFG methods, the complete electrode model of the forward problem is solved, and an iterative regularized Gauss-Newton method is adopted to solve the inverse problem. The proposed method is applied to compute Jacobian in the inverse problem. Utilizing 2D circular homogenous models, the numerical results are validated with analytical and experimental results and the performance of the hybrid FE-EFG method compared with the FE method is illustrated. Results of image reconstruction are presented for a human chest experimental phantom.

  13. The Parker-Sochacki Method--A Powerful New Method for Solving Systems of Differential Equations

    NASA Astrophysics Data System (ADS)

    Rudmin, Joseph W.

    2001-04-01

    The Parker-Sochacki Method--A Powerful New Method for Solving Systems of Differential Equations Joseph W. Rudmin (Physics Dept, James Madison University) A new system of solving systems of differential equations will be presented, which has been developed by J. Edgar Parker and James Sochacki, of the James Madison University Mathematics Department. The method produces MacClaurin Series solutions to systems of differential equations, with the coefficients in either algebraic or numerical form. The method yields high-degree solutions: 20th degree is easily obtainable. It is conceptually simple, fast, and extremely general. It has been applied to over a hundred systems of differential equations, some of which were previously unsolved, and has yet to fail to solve any system for which the MacClaurin series converges. The method is non-recursive: each coefficient in the series is calculated just once, in closed form, and its accuracy is limited only by the digital accuracy of the computer. Although the original differential equations may include any mathematical functions, the computational method includes ONLY the operations of addition, subtraction, and multiplication. Furthermore, it is perfectly suited to parallel -processing computer languages. Those who learn this system will never use Runge-Kutta or predictor-corrector methods again. Examples will be presented, including the classical many-body problem.

  14. Redesigning the specificity of protein-DNA interactions with Rosetta.

    PubMed

    Thyme, Summer; Baker, David

    2014-01-01

    Building protein tools that can selectively bind or cleave specific DNA sequences requires efficient technologies for modifying protein-DNA interactions. Computational design is one method for accomplishing this goal. In this chapter, we present the current state of protein-DNA interface design with the Rosetta macromolecular modeling program. The LAGLIDADG endonuclease family of DNA-cleaving enzymes, under study as potential gene therapy reagents, has been the main testing ground for these in silico protocols. At this time, the computational methods are most useful for designing endonuclease variants that can accommodate small numbers of target site substitutions. Attempts to engineer for more extensive interface changes will likely benefit from an approach that uses the computational design results in conjunction with a high-throughput directed evolution or screening procedure. The family of enzymes presents an engineering challenge because their interfaces are highly integrated and there is significant coordination between the binding and catalysis events. Future developments in the computational algorithms depend on experimental feedback to improve understanding and modeling of these complex enzymatic features. This chapter presents both the basic method of design that has been successfully used to modulate specificity and more advanced procedures that incorporate DNA flexibility and other properties that are likely necessary for reliable modeling of more extensive target site changes.

  15. Cumulative reports and publications through December 31, 1989

    NASA Technical Reports Server (NTRS)

    1990-01-01

    A complete list of reports from the Institute for Computer Applications in Science and Engineering (ICASE) is presented. The major categories of the current ICASE research program are: numerical methods, with particular emphasis on the development and analysis of basic numerical algorithms; control and parameter identification problems, with emphasis on effectual numerical methods; computational problems in engineering and the physical sciences, particularly fluid dynamics, acoustics, structural analysis, and chemistry; computer systems and software, especially vector and parallel computers, microcomputers, and data management. Since ICASE reports are intended to be preprints of articles that will appear in journals or conference proceedings, the published reference is included when it is available.

  16. Fast Multipole Methods for Three-Dimensional N-body Problems

    NASA Technical Reports Server (NTRS)

    Koumoutsakos, P.

    1995-01-01

    We are developing computational tools for the simulations of three-dimensional flows past bodies undergoing arbitrary motions. High resolution viscous vortex methods have been developed that allow for extended simulations of two-dimensional configurations such as vortex generators. Our objective is to extend this methodology to three dimensions and develop a robust computational scheme for the simulation of such flows. A fundamental issue in the use of vortex methods is the ability of employing efficiently large numbers of computational elements to resolve the large range of scales that exist in complex flows. The traditional cost of the method scales as Omicron (N(sup 2)) as the N computational elements/particles induce velocities at each other, making the method unacceptable for simulations involving more than a few tens of thousands of particles. In the last decade fast methods have been developed that have operation counts of Omicron (N log N) or Omicron (N) (referred to as BH and GR respectively) depending on the details of the algorithm. These methods are based on the observation that the effect of a cluster of particles at a certain distance may be approximated by a finite series expansion. In order to exploit this observation we need to decompose the element population spatially into clusters of particles and build a hierarchy of clusters (a tree data structure) - smaller neighboring clusters combine to form a cluster of the next size up in the hierarchy and so on. This hierarchy of clusters allows one to determine efficiently when the approximation is valid. This algorithm is an N-body solver that appears in many fields of engineering and science. Some examples of its diverse use are in astrophysics, molecular dynamics, micro-magnetics, boundary element simulations of electromagnetic problems, and computer animation. More recently these N-body solvers have been implemented and applied in simulations involving vortex methods. Koumoutsakos and Leonard (1995) implemented the GR scheme in two dimensions for vector computer architectures allowing for simulations of bluff body flows using millions of particles. Winckelmans presented three-dimensional, viscous simulations of interacting vortex rings, using vortons and an implementation of a BH scheme for parallel computer architectures. Bhatt presented a vortex filament method to perform inviscid vortex ring interactions, with an alternative implementation of a BH scheme for a Connection Machine parallel computer architecture.

  17. Computing pKa Values in Different Solvents by Electrostatic Transformation.

    PubMed

    Rossini, Emanuele; Netz, Roland R; Knapp, Ernst-Walter

    2016-07-12

    We introduce a method that requires only moderate computational effort to compute pKa values of small molecules in different solvents with an average accuracy of better than 0.7 pH units. With a known pKa value in one solvent, the electrostatic transform method computes the pKa value in any other solvent if the proton solvation energy is known in both considered solvents. To apply the electrostatic transform method to a molecule, the electrostatic solvation energies of the protonated and deprotonated molecular species are computed in the two considered solvents using a dielectric continuum to describe the solvent. This is demonstrated for 30 molecules belonging to 10 different molecular families by considering 77 measured pKa values in 4 different solvents: water, acetonitrile, dimethyl sulfoxide, and methanol. The electrostatic transform method can be applied to any other solvent if the proton solvation energy is known. It is exclusively based on physicochemical principles, not using any empirical fetch factors or explicit solvent molecules, to obtain agreement with measured pKa values and is therefore ready to be generalized to other solute molecules and solvents. From the computed pKa values, we obtained relative proton solvation energies, which agree very well with the proton solvation energies computed recently by ab initio methods, and used these energies in the present study.

  18. A fast parallel 3D Poisson solver with longitudinal periodic and transverse open boundary conditions for space-charge simulations

    NASA Astrophysics Data System (ADS)

    Qiang, Ji

    2017-10-01

    A three-dimensional (3D) Poisson solver with longitudinal periodic and transverse open boundary conditions can have important applications in beam physics of particle accelerators. In this paper, we present a fast efficient method to solve the Poisson equation using a spectral finite-difference method. This method uses a computational domain that contains the charged particle beam only and has a computational complexity of O(Nu(logNmode)) , where Nu is the total number of unknowns and Nmode is the maximum number of longitudinal or azimuthal modes. This saves both the computational time and the memory usage of using an artificial boundary condition in a large extended computational domain. The new 3D Poisson solver is parallelized using a message passing interface (MPI) on multi-processor computers and shows a reasonable parallel performance up to hundreds of processor cores.

  19. Computing Finite-Time Lyapunov Exponents with Optimally Time Dependent Reduction

    NASA Astrophysics Data System (ADS)

    Babaee, Hessam; Farazmand, Mohammad; Sapsis, Themis; Haller, George

    2016-11-01

    We present a method to compute Finite-Time Lyapunov Exponents (FTLE) of a dynamical system using Optimally Time-Dependent (OTD) reduction recently introduced by H. Babaee and T. P. Sapsis. The OTD modes are a set of finite-dimensional, time-dependent, orthonormal basis {ui (x , t) } |i=1N that capture the directions associated with transient instabilities. The evolution equation of the OTD modes is derived from a minimization principle that optimally approximates the most unstable directions over finite times. To compute the FTLE, we evolve a single OTD mode along with the nonlinear dynamics. We approximate the FTLE from the reduced system obtained from projecting the instantaneous linearized dynamics onto the OTD mode. This results in a significant reduction in the computational cost compared to conventional methods for computing FTLE. We demonstrate the efficiency of our method for double Gyre and ABC flows. ARO project 66710-EG-YIP.

  20. Fast non-overlapping Schwarz domain decomposition methods for solving the neutron diffusion equation

    NASA Astrophysics Data System (ADS)

    Jamelot, Erell; Ciarlet, Patrick

    2013-05-01

    Studying numerically the steady state of a nuclear core reactor is expensive, in terms of memory storage and computational time. In order to address both requirements, one can use a domain decomposition method, implemented on a parallel computer. We present here such a method for the mixed neutron diffusion equations, discretized with Raviart-Thomas-Nédélec finite elements. This method is based on the Schwarz iterative algorithm with Robin interface conditions to handle communications. We analyse this method from the continuous point of view to the discrete point of view, and we give some numerical results in a realistic highly heterogeneous 3D configuration. Computations are carried out with the MINOS solver of the APOLLO3® neutronics code. APOLLO3 is a registered trademark in France.

  1. Recent developments of the NESSUS probabilistic structural analysis computer program

    NASA Technical Reports Server (NTRS)

    Millwater, H.; Wu, Y.-T.; Torng, T.; Thacker, B.; Riha, D.; Leung, C. P.

    1992-01-01

    The NESSUS probabilistic structural analysis computer program combines state-of-the-art probabilistic algorithms with general purpose structural analysis methods to compute the probabilistic response and the reliability of engineering structures. Uncertainty in loading, material properties, geometry, boundary conditions and initial conditions can be simulated. The structural analysis methods include nonlinear finite element and boundary element methods. Several probabilistic algorithms are available such as the advanced mean value method and the adaptive importance sampling method. The scope of the code has recently been expanded to include probabilistic life and fatigue prediction of structures in terms of component and system reliability and risk analysis of structures considering cost of failure. The code is currently being extended to structural reliability considering progressive crack propagation. Several examples are presented to demonstrate the new capabilities.

  2. Supercritical wing sections 2, volume 108

    NASA Technical Reports Server (NTRS)

    Bauer, F.; Garabedian, P.; Korn, D.; Jameson, A.; Beckmann, M. (Editor); Kuenzi, H. P. (Editor)

    1975-01-01

    A mathematical theory for the design and analysis of supercritical wing sections was previously presented. Examples and computer programs showing how this method works were included. The work on transonics is presented in a more definitive form. For design, a better model of the trailing edge is introduced which should eliminate a loss of fifteen or twenty percent in lift experienced with previous heavily aft loaded models, which is attributed to boundary layer separation. How drag creep can be reduced at off-design conditions is indicated. A rotated finite difference scheme is presented that enables the application of Murman's method of analysis in more or less arbitrary curvilinear coordinate systems. This allows the use of supersonic as well as subsonic free stream Mach numbers and to capture shock waves as far back on an airfoil as desired. Moreover, it leads to an effective three dimensional program for the computation of transonic flow past an oblique wing. In the case of two dimensional flow, the method is extended to take into account the displacement thickness computed by a semi-empirical turbulent boundary layer correction.

  3. Intensity-based hierarchical clustering in CT-scans: application to interactive segmentation in cardiology

    NASA Astrophysics Data System (ADS)

    Hadida, Jonathan; Desrosiers, Christian; Duong, Luc

    2011-03-01

    The segmentation of anatomical structures in Computed Tomography Angiography (CTA) is a pre-operative task useful in image guided surgery. Even though very robust and precise methods have been developed to help achieving a reliable segmentation (level sets, active contours, etc), it remains very time consuming both in terms of manual interactions and in terms of computation time. The goal of this study is to present a fast method to find coarse anatomical structures in CTA with few parameters, based on hierarchical clustering. The algorithm is organized as follows: first, a fast non-parametric histogram clustering method is proposed to compute a piecewise constant mask. A second step then indexes all the space-connected regions in the piecewise constant mask. Finally, a hierarchical clustering is achieved to build a graph representing the connections between the various regions in the piecewise constant mask. This step builds up a structural knowledge about the image. Several interactive features for segmentation are presented, for instance association or disassociation of anatomical structures. A comparison with the Mean-Shift algorithm is presented.

  4. Asteroid orbital inversion using uniform phase-space sampling

    NASA Astrophysics Data System (ADS)

    Muinonen, K.; Pentikäinen, H.; Granvik, M.; Oszkiewicz, D.; Virtanen, J.

    2014-07-01

    We review statistical inverse methods for asteroid orbit computation from a small number of astrometric observations and short time intervals of observations. With the help of Markov-chain Monte Carlo methods (MCMC), we present a novel inverse method that utilizes uniform sampling of the phase space for the orbital elements. The statistical orbital ranging method (Virtanen et al. 2001, Muinonen et al. 2001) was set out to resolve the long-lasting challenges in the initial computation of orbits for asteroids. The ranging method starts from the selection of a pair of astrometric observations. Thereafter, the topocentric ranges and angular deviations in R.A. and Decl. are randomly sampled. The two Cartesian positions allow for the computation of orbital elements and, subsequently, the computation of ephemerides for the observation dates. Candidate orbital elements are included in the sample of accepted elements if the χ^2-value between the observed and computed observations is within a pre-defined threshold. The sample orbital elements obtain weights based on a certain debiasing procedure. When the weights are available, the full sample of orbital elements allows the probabilistic assessments for, e.g., object classification and ephemeris computation as well as the computation of collision probabilities. The MCMC ranging method (Oszkiewicz et al. 2009; see also Granvik et al. 2009) replaces the original sampling algorithm described above with a proposal probability density function (p.d.f.), and a chain of sample orbital elements results in the phase space. MCMC ranging is based on a bivariate Gaussian p.d.f. for the topocentric ranges, and allows for the sampling to focus on the phase-space domain with most of the probability mass. In the virtual-observation MCMC method (Muinonen et al. 2012), the proposal p.d.f. for the orbital elements is chosen to mimic the a posteriori p.d.f. for the elements: first, random errors are simulated for each observation, resulting in a set of virtual observations; second, corresponding virtual least-squares orbital elements are derived using the Nelder-Mead downhill simplex method; third, repeating the procedure two times allows for a computation of a difference for two sets of virtual orbital elements; and, fourth, this orbital-element difference constitutes a symmetric proposal in a random-walk Metropolis-Hastings algorithm, avoiding the explicit computation of the proposal p.d.f. In a discrete approximation, the allowed proposals coincide with the differences that are based on a large number of pre-computed sets of virtual least-squares orbital elements. The virtual-observation MCMC method is thus based on the characterization of the relevant volume in the orbital-element phase space. Here we utilize MCMC to map the phase-space domain of acceptable solutions. We can make use of the proposal p.d.f.s from the MCMC ranging and virtual-observation methods. The present phase-space mapping produces, upon convergence, a uniform sampling of the solution space within a pre-defined χ^2-value. The weights of the sampled orbital elements are then computed on the basis of the corresponding χ^2-values. The present method resembles the original ranging method. On one hand, MCMC mapping is insensitive to local extrema in the phase space and efficiently maps the solution space. This is somewhat contrary to the MCMC methods described above. On the other hand, MCMC mapping can suffer from producing a small number of sample elements with small χ^2-values, in resemblance to the original ranging method. We apply the methods to example near-Earth, main-belt, and transneptunian objects, and highlight the utilization of the methods in the data processing and analysis pipeline of the ESA Gaia space mission.

  5. Computational methods in drug discovery

    PubMed Central

    Leelananda, Sumudu P

    2016-01-01

    The process for drug discovery and development is challenging, time consuming and expensive. Computer-aided drug discovery (CADD) tools can act as a virtual shortcut, assisting in the expedition of this long process and potentially reducing the cost of research and development. Today CADD has become an effective and indispensable tool in therapeutic development. The human genome project has made available a substantial amount of sequence data that can be used in various drug discovery projects. Additionally, increasing knowledge of biological structures, as well as increasing computer power have made it possible to use computational methods effectively in various phases of the drug discovery and development pipeline. The importance of in silico tools is greater than ever before and has advanced pharmaceutical research. Here we present an overview of computational methods used in different facets of drug discovery and highlight some of the recent successes. In this review, both structure-based and ligand-based drug discovery methods are discussed. Advances in virtual high-throughput screening, protein structure prediction methods, protein–ligand docking, pharmacophore modeling and QSAR techniques are reviewed. PMID:28144341

  6. Computational methods in drug discovery.

    PubMed

    Leelananda, Sumudu P; Lindert, Steffen

    2016-01-01

    The process for drug discovery and development is challenging, time consuming and expensive. Computer-aided drug discovery (CADD) tools can act as a virtual shortcut, assisting in the expedition of this long process and potentially reducing the cost of research and development. Today CADD has become an effective and indispensable tool in therapeutic development. The human genome project has made available a substantial amount of sequence data that can be used in various drug discovery projects. Additionally, increasing knowledge of biological structures, as well as increasing computer power have made it possible to use computational methods effectively in various phases of the drug discovery and development pipeline. The importance of in silico tools is greater than ever before and has advanced pharmaceutical research. Here we present an overview of computational methods used in different facets of drug discovery and highlight some of the recent successes. In this review, both structure-based and ligand-based drug discovery methods are discussed. Advances in virtual high-throughput screening, protein structure prediction methods, protein-ligand docking, pharmacophore modeling and QSAR techniques are reviewed.

  7. Uncertainty Aware Structural Topology Optimization Via a Stochastic Reduced Order Model Approach

    NASA Technical Reports Server (NTRS)

    Aguilo, Miguel A.; Warner, James E.

    2017-01-01

    This work presents a stochastic reduced order modeling strategy for the quantification and propagation of uncertainties in topology optimization. Uncertainty aware optimization problems can be computationally complex due to the substantial number of model evaluations that are necessary to accurately quantify and propagate uncertainties. This computational complexity is greatly magnified if a high-fidelity, physics-based numerical model is used for the topology optimization calculations. Stochastic reduced order model (SROM) methods are applied here to effectively 1) alleviate the prohibitive computational cost associated with an uncertainty aware topology optimization problem; and 2) quantify and propagate the inherent uncertainties due to design imperfections. A generic SROM framework that transforms the uncertainty aware, stochastic topology optimization problem into a deterministic optimization problem that relies only on independent calls to a deterministic numerical model is presented. This approach facilitates the use of existing optimization and modeling tools to accurately solve the uncertainty aware topology optimization problems in a fraction of the computational demand required by Monte Carlo methods. Finally, an example in structural topology optimization is presented to demonstrate the effectiveness of the proposed uncertainty aware structural topology optimization approach.

  8. Reconceptualizing Pedagogical Usability of and Teachers' Roles in Computer Game-Based Learning in School

    ERIC Educational Resources Information Center

    Tzuo, Pei-Wen; Ling, Jennifer Isabelle Ong Pei; Yang, Chien-Hui; Chen, Vivian Hsueh-Hua

    2012-01-01

    At present, methods for the optimal use of two approaches to computer game-based learning in school to enhance students' learning, namely, computer game play and game design, are obscure because past research has been devoted more to designing rather than evaluating the implementation of these approaches in school. In addition, most studies…

  9. Computational strategies for the Riemann zeta function

    NASA Astrophysics Data System (ADS)

    Borwein, Jonathan M.; Bradley, David M.; Crandall, Richard E.

    2000-09-01

    We provide a compendium of evaluation methods for the Riemann zeta function, presenting formulae ranging from historical attempts to recently found convergent series to curious oddities old and new. We concentrate primarily on practical computational issues, such issues depending on the domain of the argument, the desired speed of computation, and the incidence of what we call "value recycling".

  10. Short-Term Effects of Playing Computer Games on Attention

    ERIC Educational Resources Information Center

    Tahiroglu, Aysegul Yolga; Celik, Gonca Gul; Avci, Ayse; Seydaoglu, Gulsah; Uzel, Mehtap; Altunbas, Handan

    2010-01-01

    Objective: The main aim of the present study is to investigate the short-term cognitive effects of computer games in children with different psychiatric disorders and normal controls. Method: One hundred one children are recruited for the study (aged between 9 and 12 years). All participants played a motor-racing game on the computer for 1 hour.…

  11. Computer program for calculating supersonic flow on the windward side conical delta wings by the method of lines

    NASA Technical Reports Server (NTRS)

    Klunker, E. B.; South, J. C., Jr.; Davis, R. M.

    1972-01-01

    A user's manual is presented for a program that calculates the supersonic flow on the windward side of conical delta wings with shock attached at the sharp leading edge by the method of lines. The program also has a limited capability for computing the flow about circular and elliptic cones at incidence. It provides information including the shock shape, flow field, isentropic surface-flow properties, and force coefficients. A description of the program operation, a sample computation, and a FORTRAN 4 program listing are included.

  12. Icing simulation: A survey of computer models and experimental facilities

    NASA Technical Reports Server (NTRS)

    Potapczuk, M. G.; Reinmann, J. J.

    1991-01-01

    A survey of the current methods for simulation of the response of an aircraft or aircraft subsystem to an icing encounter is presented. The topics discussed include a computer code modeling of aircraft icing and performance degradation, an evaluation of experimental facility simulation capabilities, and ice protection system evaluation tests in simulated icing conditions. Current research focussed on upgrading simulation fidelity of both experimental and computational methods is discussed. The need for increased understanding of the physical processes governing ice accretion, ice shedding, and iced airfoil aerodynamics is examined.

  13. Numerical computation of orbits and rigorous verification of existence of snapback repellers.

    PubMed

    Peng, Chen-Chang

    2007-03-01

    In this paper we show how analysis from numerical computation of orbits can be applied to prove the existence of snapback repellers in discrete dynamical systems. That is, we present a computer-assisted method to prove the existence of a snapback repeller of a specific map. The existence of a snapback repeller of a dynamical system implies that it has chaotic behavior [F. R. Marotto, J. Math. Anal. Appl. 63, 199 (1978)]. The method is applied to the logistic map and the discrete predator-prey system.

  14. Multi-loop Integrand Reduction with Computational Algebraic Geometry

    NASA Astrophysics Data System (ADS)

    Badger, Simon; Frellesvig, Hjalte; Zhang, Yang

    2014-06-01

    We discuss recent progress in multi-loop integrand reduction methods. Motivated by the possibility of an automated construction of multi-loop amplitudes via generalized unitarity cuts we describe a procedure to obtain a general parameterisation of any multi-loop integrand in a renormalizable gauge theory. The method relies on computational algebraic geometry techniques such as Gröbner bases and primary decomposition of ideals. We present some results for two and three loop amplitudes obtained with the help of the MACAULAY2 computer algebra system and the Mathematica package BASISDET.

  15. Icing simulation: A survey of computer models and experimental facilities

    NASA Technical Reports Server (NTRS)

    Potapczuk, M. G.; Reinmann, J. J.

    1991-01-01

    A survey of the current methods for simulation of the response of an aircraft or aircraft subsystem to an icing encounter is presented. The topics discussed include a computer code modeling of aircraft icing and performance degradation, an evaluation of experimental facility simulation capabilities, and ice protection system evaluation tests in simulated icing conditions. Current research focused on upgrading simulation fidelity of both experimental and computational methods is discussed. The need for the increased understanding of the physical processes governing ice accretion, ice shedding, and iced aerodynamics is examined.

  16. Hybrid transport and diffusion modeling using electron thermal transport Monte Carlo SNB in DRACO

    NASA Astrophysics Data System (ADS)

    Chenhall, Jeffrey; Moses, Gregory

    2017-10-01

    The iSNB (implicit Schurtz Nicolai Busquet) multigroup diffusion electron thermal transport method is adapted into an Electron Thermal Transport Monte Carlo (ETTMC) transport method to better model angular and long mean free path non-local effects. Previously, the ETTMC model had been implemented in the 2D DRACO multiphysics code and found to produce consistent results with the iSNB method. Current work is focused on a hybridization of the computationally slower but higher fidelity ETTMC transport method with the computationally faster iSNB diffusion method in order to maximize computational efficiency. Furthermore, effects on the energy distribution of the heat flux divergence are studied. Work to date on the hybrid method will be presented. This work was supported by Sandia National Laboratories and the Univ. of Rochester Laboratory for Laser Energetics.

  17. FAST TRACK COMMUNICATION: On the Liouvillian solution of second-order linear differential equations and algebraic invariant curves

    NASA Astrophysics Data System (ADS)

    Man, Yiu-Kwong

    2010-10-01

    In this communication, we present a method for computing the Liouvillian solution of second-order linear differential equations via algebraic invariant curves. The main idea is to integrate Kovacic's results on second-order linear differential equations with the Prelle-Singer method for computing first integrals of differential equations. Some examples on using this approach are provided.

  18. Investigating Patterns of Interaction in Networked Learning and Computer-Supported Collaborative Learning: A Role for Social Network Analysis

    ERIC Educational Resources Information Center

    de Laat, Maarten; Lally, Vic; Lipponen, Lasse; Simons, Robert-Jan

    2007-01-01

    The focus of this study is to explore the advances that Social Network Analysis (SNA) can bring, in combination with other methods, when studying Networked Learning/Computer-Supported Collaborative Learning (NL/CSCL). We present a general overview of how SNA is applied in NL/CSCL research; we then go on to illustrate how this research method can…

  19. Space-time VMS computation of wind-turbine rotor and tower aerodynamics

    NASA Astrophysics Data System (ADS)

    Takizawa, Kenji; Tezduyar, Tayfun E.; McIntyre, Spenser; Kostov, Nikolay; Kolesar, Ryan; Habluetzel, Casey

    2014-01-01

    We present the space-time variational multiscale (ST-VMS) computation of wind-turbine rotor and tower aerodynamics. The rotor geometry is that of the NREL 5MW offshore baseline wind turbine. We compute with a given wind speed and a specified rotor speed. The computation is challenging because of the large Reynolds numbers and rotating turbulent flows, and computing the correct torque requires an accurate and meticulous numerical approach. The presence of the tower increases the computational challenge because of the fast, rotational relative motion between the rotor and tower. The ST-VMS method is the residual-based VMS version of the Deforming-Spatial-Domain/Stabilized ST (DSD/SST) method, and is also called "DSD/SST-VMST" method (i.e., the version with the VMS turbulence model). In calculating the stabilization parameters embedded in the method, we are using a new element length definition for the diffusion-dominated limit. The DSD/SST method, which was introduced as a general-purpose moving-mesh method for computation of flows with moving interfaces, requires a mesh update method. Mesh update typically consists of moving the mesh for as long as possible and remeshing as needed. In the computations reported here, NURBS basis functions are used for the temporal representation of the rotor motion, enabling us to represent the circular paths associated with that motion exactly and specify a constant angular velocity corresponding to the invariant speeds along those paths. In addition, temporal NURBS basis functions are used in representation of the motion and deformation of the volume meshes computed and also in remeshing. We name this "ST/NURBS Mesh Update Method (STNMUM)." The STNMUM increases computational efficiency in terms of computer time and storage, and computational flexibility in terms of being able to change the time-step size of the computation. We use layers of thin elements near the blade surfaces, which undergo rigid-body motion with the rotor. We compare the results from computations with and without tower, and we also compare using NURBS and linear finite element basis functions in temporal representation of the mesh motion.

  20. Virtual viewpoint synthesis in multi-view video system

    NASA Astrophysics Data System (ADS)

    Li, Fang; Yang, Shiqiang

    2005-07-01

    In this paper, we present a virtual viewpoint video synthesis algorithm to satisfy the following three aims: low computing consuming; real time interpolation and acceptable video quality. In contrast with previous technologies, this method obtain incompletely 3D structure using neighbor video sources instead of getting total 3D information with all video sources, so that the computation is reduced greatly. So we demonstrate our interactive multi-view video synthesis algorithm in a personal computer. Furthermore, adopting the method of choosing feature points to build the correspondence between the frames captured by neighbor cameras, we need not require camera calibration. Finally, our method can be used when the angle between neighbor cameras is 25-30 degrees that it is much larger than common computer vision experiments. In this way, our method can be applied into many applications such as sports live, video conference, etc.

  1. An immersed boundary method for modeling a dirty geometry data

    NASA Astrophysics Data System (ADS)

    Onishi, Keiji; Tsubokura, Makoto

    2017-11-01

    We present a robust, fast, and low preparation cost immersed boundary method (IBM) for simulating an incompressible high Re flow around highly complex geometries. The method is achieved by the dispersion of the momentum by the axial linear projection and the approximate domain assumption satisfying the mass conservation around the wall including cells. This methodology has been verified against an analytical theory and wind tunnel experiment data. Next, we simulate the problem of flow around a rotating object and demonstrate the ability of this methodology to the moving geometry problem. This methodology provides the possibility as a method for obtaining a quick solution at a next large scale supercomputer. This research was supported by MEXT as ``Priority Issue on Post-K computer'' (Development of innovative design and production processes) and used computational resources of the K computer provided by the RIKEN Advanced Institute for Computational Science.

  2. A GPU accelerated and error-controlled solver for the unbounded Poisson equation in three dimensions

    NASA Astrophysics Data System (ADS)

    Exl, Lukas

    2017-12-01

    An efficient solver for the three dimensional free-space Poisson equation is presented. The underlying numerical method is based on finite Fourier series approximation. While the error of all involved approximations can be fully controlled, the overall computation error is driven by the convergence of the finite Fourier series of the density. For smooth and fast-decaying densities the proposed method will be spectrally accurate. The method scales with O(N log N) operations, where N is the total number of discretization points in the Cartesian grid. The majority of the computational costs come from fast Fourier transforms (FFT), which makes it ideal for GPU computation. Several numerical computations on CPU and GPU validate the method and show efficiency and convergence behavior. Tests are performed using the Vienna Scientific Cluster 3 (VSC3). A free MATLAB implementation for CPU and GPU is provided to the interested community.

  3. Automated image quality assessment for chest CT scans.

    PubMed

    Reeves, Anthony P; Xie, Yiting; Liu, Shuang

    2018-02-01

    Medical image quality needs to be maintained at standards sufficient for effective clinical reading. Automated computer analytic methods may be applied to medical images for quality assessment. For chest CT scans in a lung cancer screening context, an automated quality assessment method is presented that characterizes image noise and image intensity calibration. This is achieved by image measurements in three automatically segmented homogeneous regions of the scan: external air, trachea lumen air, and descending aorta blood. Profiles of CT scanner behavior are also computed. The method has been evaluated on both phantom and real low-dose chest CT scans and results show that repeatable noise and calibration measures may be realized by automated computer algorithms. Noise and calibration profiles show relevant differences between different scanners and protocols. Automated image quality assessment may be useful for quality control for lung cancer screening and may enable performance improvements to automated computer analysis methods. © 2017 American Association of Physicists in Medicine.

  4. A coarse-grid projection method for accelerating incompressible flow computations

    NASA Astrophysics Data System (ADS)

    San, Omer; Staples, Anne E.

    2013-01-01

    We present a coarse-grid projection (CGP) method for accelerating incompressible flow computations, which is applicable to methods involving Poisson equations as incompressibility constraints. The CGP methodology is a modular approach that facilitates data transfer with simple interpolations and uses black-box solvers for the Poisson and advection-diffusion equations in the flow solver. After solving the Poisson equation on a coarsened grid, an interpolation scheme is used to obtain the fine data for subsequent time stepping on the full grid. A particular version of the method is applied here to the vorticity-stream function, primitive variable, and vorticity-velocity formulations of incompressible Navier-Stokes equations. We compute several benchmark flow problems on two-dimensional Cartesian and non-Cartesian grids, as well as a three-dimensional flow problem. The method is found to accelerate these computations while retaining a level of accuracy close to that of the fine resolution field, which is significantly better than the accuracy obtained for a similar computation performed solely using a coarse grid. A linear acceleration rate is obtained for all the cases we consider due to the linear-cost elliptic Poisson solver used, with reduction factors in computational time between 2 and 42. The computational savings are larger when a suboptimal Poisson solver is used. We also find that the computational savings increase with increasing distortion ratio on non-Cartesian grids, making the CGP method a useful tool for accelerating generalized curvilinear incompressible flow solvers.

  5. A Computationally Efficient Method for Polyphonic Pitch Estimation

    NASA Astrophysics Data System (ADS)

    Zhou, Ruohua; Reiss, Joshua D.; Mattavelli, Marco; Zoia, Giorgio

    2009-12-01

    This paper presents a computationally efficient method for polyphonic pitch estimation. The method employs the Fast Resonator Time-Frequency Image (RTFI) as the basic time-frequency analysis tool. The approach is composed of two main stages. First, a preliminary pitch estimation is obtained by means of a simple peak-picking procedure in the pitch energy spectrum. Such spectrum is calculated from the original RTFI energy spectrum according to harmonic grouping principles. Then the incorrect estimations are removed according to spectral irregularity and knowledge of the harmonic structures of the music notes played on commonly used music instruments. The new approach is compared with a variety of other frame-based polyphonic pitch estimation methods, and results demonstrate the high performance and computational efficiency of the approach.

  6. Numerical analysis of spectral properties of coupled oscillator Schroedinger operators. I - Single and double well anharmonic oscillators

    NASA Technical Reports Server (NTRS)

    Isaacson, D.; Isaacson, E. L.; Paes-Leme, P. J.; Marchesin, D.

    1981-01-01

    Several methods for computing many eigenvalues and eigenfunctions of a single anharmonic oscillator Schroedinger operator whose potential may have one or two minima are described. One of the methods requires the solution of an ill-conditioned generalized eigenvalue problem. This method has the virtue of using a bounded amount of work to achieve a given accuracy in both the single and double well regions. Rigorous bounds are given, and it is proved that the approximations converge faster than any inverse power of the size of the matrices needed to compute them. The results of computations for the g:phi(4):1 theory are presented. These results indicate that the methods actually converge exponentially fast.

  7. Cognitive Approaches for Medicine in Cloud Computing.

    PubMed

    Ogiela, Urszula; Takizawa, Makoto; Ogiela, Lidia

    2018-03-03

    This paper will present the application potential of the cognitive approach to data interpretation, with special reference to medical areas. The possibilities of using the meaning approach to data description and analysis will be proposed for data analysis tasks in Cloud Computing. The methods of cognitive data management in Cloud Computing are aimed to support the processes of protecting data against unauthorised takeover and they serve to enhance the data management processes. The accomplishment of the proposed tasks will be the definition of algorithms for the execution of meaning data interpretation processes in safe Cloud Computing. • We proposed a cognitive methods for data description. • Proposed a techniques for secure data in Cloud Computing. • Application of cognitive approaches for medicine was described.

  8. Intelligent process mapping through systematic improvement of heuristics

    NASA Technical Reports Server (NTRS)

    Ieumwananonthachai, Arthur; Aizawa, Akiko N.; Schwartz, Steven R.; Wah, Benjamin W.; Yan, Jerry C.

    1992-01-01

    The present system for automatic learning/evaluation of novel heuristic methods applicable to the mapping of communication-process sets on a computer network has its basis in the testing of a population of competing heuristic methods within a fixed time-constraint. The TEACHER 4.1 prototype learning system implemented or learning new postgame analysis heuristic methods iteratively generates and refines the mappings of a set of communicating processes on a computer network. A systematic exploration of the space of possible heuristic methods is shown to promise significant improvement.

  9. A new method for constructing networks from binary data

    NASA Astrophysics Data System (ADS)

    van Borkulo, Claudia D.; Borsboom, Denny; Epskamp, Sacha; Blanken, Tessa F.; Boschloo, Lynn; Schoevers, Robert A.; Waldorp, Lourens J.

    2014-08-01

    Network analysis is entering fields where network structures are unknown, such as psychology and the educational sciences. A crucial step in the application of network models lies in the assessment of network structure. Current methods either have serious drawbacks or are only suitable for Gaussian data. In the present paper, we present a method for assessing network structures from binary data. Although models for binary data are infamous for their computational intractability, we present a computationally efficient model for estimating network structures. The approach, which is based on Ising models as used in physics, combines logistic regression with model selection based on a Goodness-of-Fit measure to identify relevant relationships between variables that define connections in a network. A validation study shows that this method succeeds in revealing the most relevant features of a network for realistic sample sizes. We apply our proposed method to estimate the network of depression and anxiety symptoms from symptom scores of 1108 subjects. Possible extensions of the model are discussed.

  10. Model-Invariant Hybrid Computations of Separated Flows for RCA Standard Test Cases

    NASA Technical Reports Server (NTRS)

    Woodruff, Stephen

    2016-01-01

    NASA's Revolutionary Computational Aerosciences (RCA) subproject has identified several smooth-body separated flows as standard test cases to emphasize the challenge these flows present for computational methods and their importance to the aerospace community. Results of computations of two of these test cases, the NASA hump and the FAITH experiment, are presented. The computations were performed with the model-invariant hybrid LES-RANS formulation, implemented in the NASA code VULCAN-CFD. The model- invariant formulation employs gradual LES-RANS transitions and compensation for model variation to provide more accurate and efficient hybrid computations. Comparisons revealed that the LES-RANS transitions employed in these computations were sufficiently gradual that the compensating terms were unnecessary. Agreement with experiment was achieved only after reducing the turbulent viscosity to mitigate the effect of numerical dissipation. The stream-wise evolution of peak Reynolds shear stress was employed as a measure of turbulence dynamics in separated flows useful for evaluating computations.

  11. Implementation and Testing of Turbulence Models for the F18-HARV Simulation

    NASA Technical Reports Server (NTRS)

    Yeager, Jessie C.

    1998-01-01

    This report presents three methods of implementing the Dryden power spectral density model for atmospheric turbulence. Included are the equations which define the three methods and computer source code written in Advanced Continuous Simulation Language to implement the equations. Time-history plots and sample statistics of simulated turbulence results from executing the code in a test program are also presented. Power spectral densities were computed for sample sequences of turbulence and are plotted for comparison with the Dryden spectra. The three model implementations were installed in a nonlinear six-degree-of-freedom simulation of the High Alpha Research Vehicle airplane. Aircraft simulation responses to turbulence generated with the three implementations are presented as plots.

  12. The interaction between a solid body and viscous fluid by marker-and-cell method

    NASA Technical Reports Server (NTRS)

    Cheng, R. Y. K.

    1976-01-01

    A computational method for solving nonlinear problems relating to impact and penetration of a rigid body into a fluid type medium is presented. The numerical techniques, based on the Marker-and-Cell method, gives the pressure and velocity of the flow field. An important feature in this method is that the force and displacement of the rigid body interacting with the fluid during the impact and sinking phases are evaluated from the boundary stresses imposed by the fluid on the rigid body. A sample problem of low velocity penetration of a rigid block into still water is solved by this method. The computed time histories of the acceleration, pressure, and displacement of the block show food agreement with experimental measurements. A sample problem of high velocity impact of a rigid block into soft clay is also presented.

  13. Flow force and torque on submerged bodies in lattice-Boltzmann methods via momentum exchange.

    PubMed

    Giovacchini, Juan P; Ortiz, Omar E

    2015-12-01

    We review the momentum exchange method to compute the flow force and torque on a submerged body in lattice-Boltzmann methods by presenting an alternative derivation. Our derivation does not depend on a particular implementation of the boundary conditions at the body surface, and it relies on general principles. After the introduction of the momentum exchange method in lattice-Boltzmann methods, some formulations were introduced to compute the fluid force on static and moving bodies. These formulations were introduced in a rather intuitive, ad hoc way. In our derivation, we recover the proposals most frequently used, in some cases with minor corrections, gaining some insight into the two most used formulations. At the end, we present some numerical tests to compare different approaches on a well-known benchmark test that support the correctness of the formulas derived.

  14. Entropy-limited hydrodynamics: a novel approach to relativistic hydrodynamics

    NASA Astrophysics Data System (ADS)

    Guercilena, Federico; Radice, David; Rezzolla, Luciano

    2017-07-01

    We present entropy-limited hydrodynamics (ELH): a new approach for the computation of numerical fluxes arising in the discretization of hyperbolic equations in conservation form. ELH is based on the hybridisation of an unfiltered high-order scheme with the first-order Lax-Friedrichs method. The activation of the low-order part of the scheme is driven by a measure of the locally generated entropy inspired by the artificial-viscosity method proposed by Guermond et al. (J. Comput. Phys. 230(11):4248-4267, 2011, doi: 10.1016/j.jcp.2010.11.043). Here, we present ELH in the context of high-order finite-differencing methods and of the equations of general-relativistic hydrodynamics. We study the performance of ELH in a series of classical astrophysical tests in general relativity involving isolated, rotating and nonrotating neutron stars, and including a case of gravitational collapse to black hole. We present a detailed comparison of ELH with the fifth-order monotonicity preserving method MP5 (Suresh and Huynh in J. Comput. Phys. 136(1):83-99, 1997, doi: 10.1006/jcph.1997.5745), one of the most common high-order schemes currently employed in numerical-relativity simulations. We find that ELH achieves comparable and, in many of the cases studied here, better accuracy than more traditional methods at a fraction of the computational cost (up to {˜}50% speedup). Given its accuracy and its simplicity of implementation, ELH is a promising framework for the development of new special- and general-relativistic hydrodynamics codes well adapted for massively parallel supercomputers.

  15. New method of computing the contributions of graphs without lepton loops to the electron anomalous magnetic moment in QED

    NASA Astrophysics Data System (ADS)

    Volkov, Sergey

    2017-11-01

    This paper presents a new method of numerical computation of the mass-independent QED contributions to the electron anomalous magnetic moment which arise from Feynman graphs without closed electron loops. The method is based on a forestlike subtraction formula that removes all ultraviolet and infrared divergences in each Feynman graph before integration in Feynman-parametric space. The integration is performed by an importance sampling Monte-Carlo algorithm with the probability density function that is constructed for each Feynman graph individually. The method is fully automated at any order of the perturbation series. The results of applying the method to 2-loop, 3-loop, 4-loop Feynman graphs, and to some individual 5-loop graphs are presented, as well as the comparison of this method with other ones with respect to Monte Carlo convergence speed.

  16. GPUs benchmarking in subpixel image registration algorithm

    NASA Astrophysics Data System (ADS)

    Sanz-Sabater, Martin; Picazo-Bueno, Jose Angel; Micó, Vicente; Ferrerira, Carlos; Granero, Luis; Garcia, Javier

    2015-05-01

    Image registration techniques are used among different scientific fields, like medical imaging or optical metrology. The straightest way to calculate shifting between two images is using the cross correlation, taking the highest value of this correlation image. Shifting resolution is given in whole pixels which cannot be enough for certain applications. Better results can be achieved interpolating both images, as much as the desired resolution we want to get, and applying the same technique described before, but the memory needed by the system is significantly higher. To avoid memory consuming we are implementing a subpixel shifting method based on FFT. With the original images, subpixel shifting can be achieved multiplying its discrete Fourier transform by a linear phase with different slopes. This method is high time consuming method because checking a concrete shifting means new calculations. The algorithm, highly parallelizable, is very suitable for high performance computing systems. GPU (Graphics Processing Unit) accelerated computing became very popular more than ten years ago because they have hundreds of computational cores in a reasonable cheap card. In our case, we are going to register the shifting between two images, doing the first approach by FFT based correlation, and later doing the subpixel approach using the technique described before. We consider it as `brute force' method. So we will present a benchmark of the algorithm consisting on a first approach (pixel resolution) and then do subpixel resolution approaching, decreasing the shifting step in every loop achieving a high resolution in few steps. This program will be executed in three different computers. At the end, we will present the results of the computation, with different kind of CPUs and GPUs, checking the accuracy of the method, and the time consumed in each computer, discussing the advantages, disadvantages of the use of GPUs.

  17. A method for determining spiral-bevel gear tooth geometry for finite element analysis

    NASA Technical Reports Server (NTRS)

    Handschuh, Robert F.; Litvin, Faydor L.

    1991-01-01

    An analytical method was developed to determine gear tooth surface coordinates of face-milled spiral bevel gears. The method uses the basic gear design parameters in conjunction with the kinematical aspects of spiral bevel gear manufacturing machinery. A computer program, SURFACE, was developed. The computer program calculates the surface coordinates and outputs 3-D model data that can be used for finite element analysis. Development of the modeling method and an example case are presented. This analysis method could also find application for gear inspection and near-net-shape gear forging die design.

  18. A new ChainMail approach for real-time soft tissue simulation.

    PubMed

    Zhang, Jinao; Zhong, Yongmin; Smith, Julian; Gu, Chengfan

    2016-07-03

    This paper presents a new ChainMail method for real-time soft tissue simulation. This method enables the use of different material properties for chain elements to accommodate various materials. Based on the ChainMail bounding region, a new time-saving scheme is developed to improve computational efficiency for isotropic materials. The proposed method also conserves volume and strain energy. Experimental results demonstrate that the proposed ChainMail method can not only accommodate isotropic, anisotropic and heterogeneous materials but also model incompressibility and relaxation behaviors of soft tissues. Further, the proposed method can achieve real-time computational performance.

  19. Computational inverse methods of heat source in fatigue damage problems

    NASA Astrophysics Data System (ADS)

    Chen, Aizhou; Li, Yuan; Yan, Bo

    2018-04-01

    Fatigue dissipation energy is the research focus in field of fatigue damage at present. It is a new idea to solve the problem of calculating fatigue dissipation energy by introducing inverse method of heat source into parameter identification of fatigue dissipation energy model. This paper introduces the research advances on computational inverse method of heat source and regularization technique to solve inverse problem, as well as the existing heat source solution method in fatigue process, prospects inverse method of heat source applying in fatigue damage field, lays the foundation for further improving the effectiveness of fatigue dissipation energy rapid prediction.

  20. A vessel length-based method to compute coronary fractional flow reserve from optical coherence tomography images.

    PubMed

    Lee, Kyung Eun; Lee, Seo Ho; Shin, Eun-Seok; Shim, Eun Bo

    2017-06-26

    Hemodynamic simulation for quantifying fractional flow reserve (FFR) is often performed in a patient-specific geometry of coronary arteries reconstructed from the images from various imaging modalities. Because optical coherence tomography (OCT) images can provide more precise vascular lumen geometry, regardless of stenotic severity, hemodynamic simulation based on OCT images may be effective. The aim of this study is to perform OCT-FFR simulations by coupling a 3D CFD model from geometrically correct OCT images with a LPM based on vessel lengths extracted from CAG data with clinical validations for the present method. To simulate coronary hemodynamics, we developed a fast and accurate method that combined a computational fluid dynamics (CFD) model of an OCT-based region of interest (ROI) with a lumped parameter model (LPM) of the coronary microvasculature and veins. Here, the LPM was based on vessel lengths extracted from coronary X-ray angiography (CAG) images. Based on a vessel length-based approach, we describe a theoretical formulation for the total resistance of the LPM from a three-dimensional (3D) CFD model of the ROI. To show the utility of this method, we present calculated examples of FFR from OCT images. To validate the OCT-based FFR calculation (OCT-FFR) clinically, we compared the computed OCT-FFR values for 17 vessels of 13 patients with clinically measured FFR (M-FFR) values. A novel formulation for the total resistance of LPM is introduced to accurately simulate a 3D CFD model of the ROI. The simulated FFR values compared well with clinically measured ones, showing the accuracy of the method. Moreover, the present method is fast in terms of computational time, enabling clinicians to provide solutions handled within the hospital.

  1. Fast multigrid-based computation of the induced electric field for transcranial magnetic stimulation

    NASA Astrophysics Data System (ADS)

    Laakso, Ilkka; Hirata, Akimasa

    2012-12-01

    In transcranial magnetic stimulation (TMS), the distribution of the induced electric field, and the affected brain areas, depends on the position of the stimulation coil and the individual geometry of the head and brain. The distribution of the induced electric field in realistic anatomies can be modelled using computational methods. However, existing computational methods for accurately determining the induced electric field in realistic anatomical models have suffered from long computation times, typically in the range of tens of minutes or longer. This paper presents a matrix-free implementation of the finite-element method with a geometric multigrid method that can potentially reduce the computation time to several seconds or less even when using an ordinary computer. The performance of the method is studied by computing the induced electric field in two anatomically realistic models. An idealized two-loop coil is used as the stimulating coil. Multiple computational grid resolutions ranging from 2 to 0.25 mm are used. The results show that, for macroscopic modelling of the electric field in an anatomically realistic model, computational grid resolutions of 1 mm or 2 mm appear to provide good numerical accuracy compared to higher resolutions. The multigrid iteration typically converges in less than ten iterations independent of the grid resolution. Even without parallelization, each iteration takes about 1.0 s or 0.1 s for the 1 and 2 mm resolutions, respectively. This suggests that calculating the electric field with sufficient accuracy in real time is feasible.

  2. A Multi-domain Spectral Method for Supersonic Reactive Flows

    NASA Technical Reports Server (NTRS)

    Don, Wai-Sun; Gottlieb, David; Jung, Jae-Hun; Bushnell, Dennis M. (Technical Monitor)

    2002-01-01

    This paper has a dual purpose: it presents a multidomain Chebyshev method for the solution of the two-dimensional reactive compressible Navier-Stokes equations, and it reports the results of the application of this code to the numerical simulations of high Mach number reactive flows in recessed cavity. The computational method utilizes newly derived interface boundary conditions as well as an adaptive filtering technique to stabilize the computations. The results of the simulations are relevant to recessed cavity flameholders.

  3. On The Behavior of Subgradient Projections Methods for Convex Feasibility Problems in Euclidean Spaces

    PubMed Central

    Butnariu, Dan; Censor, Yair; Gurfil, Pini; Hadar, Ethan

    2010-01-01

    We study some methods of subgradient projections for solving a convex feasibility problem with general (not necessarily hyperplanes or half-spaces) convex sets in the inconsistent case and propose a strategy that controls the relaxation parameters in a specific self-adapting manner. This strategy leaves enough user-flexibility but gives a mathematical guarantee for the algorithm’s behavior in the inconsistent case. We present numerical results of computational experiments that illustrate the computational advantage of the new method. PMID:20182556

  4. On The Behavior of Subgradient Projections Methods for Convex Feasibility Problems in Euclidean Spaces.

    PubMed

    Butnariu, Dan; Censor, Yair; Gurfil, Pini; Hadar, Ethan

    2008-07-03

    We study some methods of subgradient projections for solving a convex feasibility problem with general (not necessarily hyperplanes or half-spaces) convex sets in the inconsistent case and propose a strategy that controls the relaxation parameters in a specific self-adapting manner. This strategy leaves enough user-flexibility but gives a mathematical guarantee for the algorithm's behavior in the inconsistent case. We present numerical results of computational experiments that illustrate the computational advantage of the new method.

  5. Bayesian networks and statistical analysis application to analyze the diagnostic test accuracy

    NASA Astrophysics Data System (ADS)

    Orzechowski, P.; Makal, Jaroslaw; Onisko, A.

    2005-02-01

    The computer aided BPH diagnosis system based on Bayesian network is described in the paper. First result are compared to a given statistical method. Different statistical methods are used successfully in medicine for years. However, the undoubted advantages of probabilistic methods make them useful in application in newly created systems which are frequent in medicine, but do not have full and competent knowledge. The article presents advantages of the computer aided BPH diagnosis system in clinical practice for urologists.

  6. Analysis of high aspect ratio jet flap wings of arbitrary geometry.

    NASA Technical Reports Server (NTRS)

    Lissaman, P. B. S.

    1973-01-01

    Paper presents a design technique for rapidly computing lift, induced drag, and spanwise loading of unswept jet flap wings of arbitrary thickness, chord, twist, blowing, and jet angle, including discontinuities. Linear theory is used, extending Spence's method for elliptically loaded jet flap wings. Curves for uniformly blown rectangular wings are presented for direct performance estimation. Arbitrary planforms require a simple computer program. Method of reducing wing to equivalent stretched, twisted, unblown planform for hand calculation is also given. Results correlate with limited existing data, and show lifting line theory is reasonable down to aspect ratios of 5.

  7. Method and apparatus for managing transactions with connected computers

    DOEpatents

    Goldsmith, Steven Y.; Phillips, Laurence R.; Spires, Shannon V.

    2003-01-01

    The present invention provides a method and apparatus that make use of existing computer and communication resources and that reduce the errors and delays common to complex transactions such as international shipping. The present invention comprises an agent-based collaborative work environment that assists geographically distributed commercial and government users in the management of complex transactions such as the transshipment of goods across the U.S.-Mexico border. Software agents can mediate the creation, validation and secure sharing of shipment information and regulatory documentation over the Internet, using the World-Wide Web to interface with human users.

  8. Perception and Haptic Rendering of Friction Moments.

    PubMed

    Kawasaki, H; Ohtuka, Y; Koide, S; Mouri, T

    2011-01-01

    This paper considers moments due to friction forces on the human fingertip. A computational technique called the friction moment arc method is presented. The method computes the static and/or dynamic friction moment independent of a friction force calculation. In addition, a new finger holder to display friction moment is presented. This device incorporates a small brushless motor and disk, and connects the human's finger to an interface finger of the five-fingered haptic interface robot HIRO II. Subjects' perception of friction moment while wearing the finger holder, as well as perceptions during object manipulation in a virtual reality environment, were evaluated experimentally.

  9. Ocean modelling on the CYBER 205 at GFDL

    NASA Technical Reports Server (NTRS)

    Cox, M.

    1984-01-01

    At the Geophysical Fluid Dynamics Laboratory, research is carried out for the purpose of understanding various aspects of climate, such as its variability, predictability, stability and sensitivity. The atmosphere and oceans are modelled mathematically and their phenomenology studied by computer simulation methods. The present state-of-the-art in the computer simulation of large scale oceans on the CYBER 205 is discussed. While atmospheric modelling differs in some aspects, the basic approach used is similar. The equations of the ocean model are presented along with a short description of the numerical techniques used to find their solution. Computational considerations and a typical solution are presented in section 4.

  10. Study of flutter related computational procedures for minimum weight structural sizing of advanced aircraft

    NASA Technical Reports Server (NTRS)

    Oconnell, R. F.; Hassig, H. J.; Radovcich, N. A.

    1976-01-01

    Results of a study of the development of flutter modules applicable to automated structural design of advanced aircraft configurations, such as a supersonic transport, are presented. Automated structural design is restricted to automated sizing of the elements of a given structural model. It includes a flutter optimization procedure; i.e., a procedure for arriving at a structure with minimum mass for satisfying flutter constraints. Methods of solving the flutter equation and computing the generalized aerodynamic force coefficients in the repetitive analysis environment of a flutter optimization procedure are studied, and recommended approaches are presented. Five approaches to flutter optimization are explained in detail and compared. An approach to flutter optimization incorporating some of the methods discussed is presented. Problems related to flutter optimization in a realistic design environment are discussed and an integrated approach to the entire flutter task is presented. Recommendations for further investigations are made. Results of numerical evaluations, applying the five methods of flutter optimization to the same design task, are presented.

  11. A method for computation of inviscid three-dimensional flow over blunt bodies having large embedded subsonic regions

    NASA Technical Reports Server (NTRS)

    Weilmuenster, K. J.; Hamilton, H. H., II

    1981-01-01

    A computational technique for computing the three-dimensional inviscid flow over blunt bodies having large regions of embedded subsonic flow is detailed. Results, which were obtained using the CDC Cyber 203 vector processing computer, are presented for several analytic shapes with some comparison to experimental data. Finally, windward surface pressure computations over the first third of the Space Shuttle vehicle are compared with experimental data for angles of attack between 25 and 45 degrees.

  12. Workshop on Computational Turbulence Modeling

    NASA Technical Reports Server (NTRS)

    1993-01-01

    This document contains presentations given at Workshop on Computational Turbulence Modeling held 15-16 Sep. 1993. The purpose of the meeting was to discuss the current status and future development of turbulence modeling in computational fluid dynamics for aerospace propulsion systems. Papers cover the following topics: turbulence modeling activities at the Center for Modeling of Turbulence and Transition (CMOTT); heat transfer and turbomachinery flow physics; aerothermochemistry and computational methods for space systems; computational fluid dynamics and the k-epsilon turbulence model; propulsion systems; and inlet, duct, and nozzle flow.

  13. Exhaustive Versus Randomized Searchers for Nonlinear Optimization in 21st Century Computing: Solar Application

    NASA Technical Reports Server (NTRS)

    Sen, Syamal K.; AliShaykhian, Gholam

    2010-01-01

    We present a simple multi-dimensional exhaustive search method to obtain, in a reasonable time, the optimal solution of a nonlinear programming problem. It is more relevant in the present day non-mainframe computing scenario where an estimated 95% computing resources remains unutilized and computing speed touches petaflops. While the processor speed is doubling every 18 months, the band width is doubling every 12 months, and the hard disk space is doubling every 9 months. A randomized search algorithm or, equivalently, an evolutionary search method is often used instead of an exhaustive search algorithm. The reason is that a randomized approach is usually polynomial-time, i.e., fast while an exhaustive search method is exponential-time i.e., slow. We discuss the increasing importance of exhaustive search in optimization with the steady increase of computing power for solving many real-world problems of reasonable size. We also discuss the computational error and complexity of the search algorithm focusing on the fact that no measuring device can usually measure a quantity with an accuracy greater than 0.005%. We stress the fact that the quality of solution of the exhaustive search - a deterministic method - is better than that of randomized search. In 21 st century computing environment, exhaustive search cannot be left aside as an untouchable and it is not always exponential. We also describe a possible application of these algorithms in improving the efficiency of solar cells - a real hot topic - in the current energy crisis. These algorithms could be excellent tools in the hands of experimentalists and could save not only large amount of time needed for experiments but also could validate the theory against experimental results fast.

  14. Interfacial gauge methods for incompressible fluid dynamics

    PubMed Central

    Saye, Robert

    2016-01-01

    Designing numerical methods for incompressible fluid flow involving moving interfaces, for example, in the computational modeling of bubble dynamics, swimming organisms, or surface waves, presents challenges due to the coupling of interfacial forces with incompressibility constraints. A class of methods, denoted interfacial gauge methods, is introduced for computing solutions to the corresponding incompressible Navier-Stokes equations. These methods use a type of “gauge freedom” to reduce the numerical coupling between fluid velocity, pressure, and interface position, allowing high-order accurate numerical methods to be developed more easily. Making use of an implicit mesh discontinuous Galerkin framework, developed in tandem with this work, high-order results are demonstrated, including surface tension dynamics in which fluid velocity, pressure, and interface geometry are computed with fourth-order spatial accuracy in the maximum norm. Applications are demonstrated with two-phase fluid flow displaying fine-scaled capillary wave dynamics, rigid body fluid-structure interaction, and a fluid-jet free surface flow problem exhibiting vortex shedding induced by a type of Plateau-Rayleigh instability. The developed methods can be generalized to other types of interfacial flow and facilitate precise computation of complex fluid interface phenomena. PMID:27386567

  15. Numerical method for predicting flow characteristics and performance of nonaxisymmetric nozzles. Part 2: Applications

    NASA Technical Reports Server (NTRS)

    Thomas, P. D.

    1980-01-01

    A computer implemented numerical method for predicting the flow in and about an isolated three dimensional jet exhaust nozzle is summarized. The approach is based on an implicit numerical method to solve the unsteady Navier-Stokes equations in a boundary conforming curvilinear coordinate system. Recent improvements to the original numerical algorithm are summarized. Equations are given for evaluating nozzle thrust and discharge coefficient in terms of computed flowfield data. The final formulation of models that are used to simulate flow turbulence effect is presented. Results are presented from numerical experiments to explore the effect of various quantities on the rate of convergence to steady state and on the final flowfield solution. Detailed flowfield predictions for several two and three dimensional nozzle configurations are presented and compared with wind tunnel experimental data.

  16. The dimension split element-free Galerkin method for three-dimensional potential problems

    NASA Astrophysics Data System (ADS)

    Meng, Z. J.; Cheng, H.; Ma, L. D.; Cheng, Y. M.

    2018-06-01

    This paper presents the dimension split element-free Galerkin (DSEFG) method for three-dimensional potential problems, and the corresponding formulae are obtained. The main idea of the DSEFG method is that a three-dimensional potential problem can be transformed into a series of two-dimensional problems. For these two-dimensional problems, the improved moving least-squares (IMLS) approximation is applied to construct the shape function, which uses an orthogonal function system with a weight function as the basis functions. The Galerkin weak form is applied to obtain a discretized system equation, and the penalty method is employed to impose the essential boundary condition. The finite difference method is selected in the splitting direction. For the purposes of demonstration, some selected numerical examples are solved using the DSEFG method. The convergence study and error analysis of the DSEFG method are presented. The numerical examples show that the DSEFG method has greater computational precision and computational efficiency than the IEFG method.

  17. Advances in medical image computing.

    PubMed

    Tolxdorff, T; Deserno, T M; Handels, H; Meinzer, H-P

    2009-01-01

    Medical image computing has become a key technology in high-tech applications in medicine and an ubiquitous part of modern imaging systems and the related processes of clinical diagnosis and intervention. Over the past years significant progress has been made in the field, both on methodological and on application level. Despite this progress there are still big challenges to meet in order to establish image processing routinely in health care. In this issue, selected contributions of the German Conference on Medical Image Processing (BVM) are assembled to present latest advances in the field of medical image computing. The winners of scientific awards of the German Conference on Medical Image Processing (BVM) 2008 were invited to submit a manuscript on their latest developments and results for possible publication in Methods of Information in Medicine. Finally, seven excellent papers were selected to describe important aspects of recent advances in the field of medical image processing. The selected papers give an impression of the breadth and heterogeneity of new developments. New methods for improved image segmentation, non-linear image registration and modeling of organs are presented together with applications of image analysis methods in different medical disciplines. Furthermore, state-of-the-art tools and techniques to support the development and evaluation of medical image processing systems in practice are described. The selected articles describe different aspects of the intense development in medical image computing. The image processing methods presented enable new insights into the patient's image data and have the future potential to improve medical diagnostics and patient treatment.

  18. A grid-embedding transonic flow analysis computer program for wing/nacelle configurations

    NASA Technical Reports Server (NTRS)

    Atta, E. H.; Vadyak, J.

    1983-01-01

    An efficient grid-interfacing zonal algorithm was developed for computing the three-dimensional transonic flow field about wing/nacelle configurations. the algorithm uses the full-potential formulation and the AF2 approximate factorization scheme. The flow field solution is computed using a component-adaptive grid approach in which separate grids are employed for the individual components in the multi-component configuration, where each component grid is optimized for a particular geometry such as the wing or nacelle. The wing and nacelle component grids are allowed to overlap, and flow field information is transmitted from one grid to another through the overlap region using trivariate interpolation. This report represents a discussion of the computational methods used to generate both the wing and nacelle component grids, the technique used to interface the component grids, and the method used to obtain the inviscid flow solution. Computed results and correlations with experiment are presented. also presented are discussions on the organization of the wing grid generation (GRGEN3) and nacelle grid generation (NGRIDA) computer programs, the grid interface (LK) computer program, and the wing/nacelle flow solution (TWN) computer program. Descriptions of the respective subroutines, definitions of the required input parameters, a discussion on interpretation of the output, and the sample cases illustrating application of the analysis are provided for each of the four computer programs.

  19. Homogenization of periodic bi-isotropic composite materials

    NASA Astrophysics Data System (ADS)

    Ouchetto, Ouail; Essakhi, Brahim

    2018-07-01

    In this paper, we present a new method for homogenizing the bi-periodic materials with bi-isotropic components phases. The presented method is a numerical method based on the finite element method to compute the local electromagnetic properties. The homogenized constitutive parameters are expressed as a function of the macroscopic electromagnetic properties which are obtained from the local properties. The obtained results are compared to Unfolding Finite Element Method and Maxwell-Garnett formulas.

  20. Carbohydrate-protein interactions: molecular modeling insights.

    PubMed

    Pérez, Serge; Tvaroška, Igor

    2014-01-01

    The article reviews the significant contributions to, and the present status of, applications of computational methods for the characterization and prediction of protein-carbohydrate interactions. After a presentation of the specific features of carbohydrate modeling, along with a brief description of the experimental data and general features of carbohydrate-protein interactions, the survey provides a thorough coverage of the available computational methods and tools. At the quantum-mechanical level, the use of both molecular orbitals and density-functional theory is critically assessed. These are followed by a presentation and critical evaluation of the applications of semiempirical and empirical methods: QM/MM, molecular dynamics, free-energy calculations, metadynamics, molecular robotics, and others. The usefulness of molecular docking in structural glycobiology is evaluated by considering recent docking- validation studies on a range of protein targets. The range of applications of these theoretical methods provides insights into the structural, energetic, and mechanistic facets that occur in the course of the recognition processes. Selected examples are provided to exemplify the usefulness and the present limitations of these computational methods in their ability to assist in elucidation of the structural basis underlying the diverse function and biological roles of carbohydrates in their dialogue with proteins. These test cases cover the field of both carbohydrate biosynthesis and glycosyltransferases, as well as glycoside hydrolases. The phenomenon of (macro)molecular recognition is illustrated for the interactions of carbohydrates with such proteins as lectins, monoclonal antibodies, GAG-binding proteins, porins, and viruses. © 2014 Elsevier Inc. All rights reserved.

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

    Dulat, Falko; Lionetti, Simone; Mistlberger, Bernhard

    We present an analytic computation of the Higgs production cross section in the gluon fusion channel, which is differential in the components of the Higgs momentum and inclusive in the associated partonic radiation through NNLO in perturbative QCD. Our computation includes the necessary higher order terms in the dimensional regulator beyond the finite part that are required for renormalisation and collinear factorisation at N 3LO. We outline in detail the computational methods which we employ. We present numerical predictions for realistic final state observables, specifically distributions for the decay products of the Higgs boson in the γγ decay channel.

  2. On Computations of Duct Acoustics with Near Cut-Off Frequency

    NASA Technical Reports Server (NTRS)

    Dong, Thomas Z.; Povinelli, Louis A.

    1997-01-01

    The cut-off is a unique feature associated with duct acoustics due to the presence of duct walls. A study of this cut-off effect on the computations of duct acoustics is performed in the present work. The results show that the computation of duct acoustic modes near cut-off requires higher numerical resolutions than others to avoid being numerically cut off. Duct acoustic problems in Category 2 are solved by the DRP finite difference scheme with the selective artificial damping method and results are presented and compared to reference solutions.

  3. Method and computer program product for maintenance and modernization backlogging

    DOEpatents

    Mattimore, Bernard G; Reynolds, Paul E; Farrell, Jill M

    2013-02-19

    According to one embodiment, a computer program product for determining future facility conditions includes a computer readable medium having computer readable program code stored therein. The computer readable program code includes computer readable program code for calculating a time period specific maintenance cost, for calculating a time period specific modernization factor, and for calculating a time period specific backlog factor. Future facility conditions equal the time period specific maintenance cost plus the time period specific modernization factor plus the time period specific backlog factor. In another embodiment, a computer-implemented method for calculating future facility conditions includes calculating a time period specific maintenance cost, calculating a time period specific modernization factor, and calculating a time period specific backlog factor. Future facility conditions equal the time period specific maintenance cost plus the time period specific modernization factor plus the time period specific backlog factor. Other embodiments are also presented.

  4. Improved Margin of Error Estimates for Proportions in Business: An Educational Example

    ERIC Educational Resources Information Center

    Arzumanyan, George; Halcoussis, Dennis; Phillips, G. Michael

    2015-01-01

    This paper presents the Agresti & Coull "Adjusted Wald" method for computing confidence intervals and margins of error for common proportion estimates. The presented method is easily implementable by business students and practitioners and provides more accurate estimates of proportions particularly in extreme samples and small…

  5. A single-stage flux-corrected transport algorithm for high-order finite-volume methods

    DOE PAGES

    Chaplin, Christopher; Colella, Phillip

    2017-05-08

    We present a new limiter method for solving the advection equation using a high-order, finite-volume discretization. The limiter is based on the flux-corrected transport algorithm. Here, we modify the classical algorithm by introducing a new computation for solution bounds at smooth extrema, as well as improving the preconstraint on the high-order fluxes. We compute the high-order fluxes via a method-of-lines approach with fourth-order Runge-Kutta as the time integrator. For computing low-order fluxes, we select the corner-transport upwind method due to its improved stability over donor-cell upwind. Several spatial differencing schemes are investigated for the high-order flux computation, including centered- differencemore » and upwind schemes. We show that the upwind schemes perform well on account of the dissipation of high-wavenumber components. The new limiter method retains high-order accuracy for smooth solutions and accurately captures fronts in discontinuous solutions. Further, we need only apply the limiter once per complete time step.« less

  6. Three-phase short circuit calculation method based on pre-computed surface for doubly fed induction generator

    NASA Astrophysics Data System (ADS)

    Ma, J.; Liu, Q.

    2018-02-01

    This paper presents an improved short circuit calculation method, based on pre-computed surface to determine the short circuit current of a distribution system with multiple doubly fed induction generators (DFIGs). The short circuit current, injected into power grid by DFIG, is determined by low voltage ride through (LVRT) control and protection under grid fault. However, the existing methods are difficult to calculate the short circuit current of DFIG in engineering practice due to its complexity. A short circuit calculation method, based on pre-computed surface, was proposed by developing the surface of short circuit current changing with the calculating impedance and the open circuit voltage. And the short circuit currents were derived by taking into account the rotor excitation and crowbar activation time. Finally, the pre-computed surfaces of short circuit current at different time were established, and the procedure of DFIG short circuit calculation considering its LVRT was designed. The correctness of proposed method was verified by simulation.

  7. Estimation of Hydrodynamic Impact Loads and Pressure Distributions on Bodies Approximating Elliptical Cylinders with Special Reference to Water Landings of Helicopters

    NASA Technical Reports Server (NTRS)

    Schnitzer, Emanuel; Hathaway, Melvin E

    1953-01-01

    An approximate method for computing water loads and pressure distributions on lightly loaded elliptical cylinders during oblique water impacts is presented. The method is of special interest for the case of emergency water landings of helicopters. This method makes use of theory developed and checked for landing impacts of seaplanes having bottom cross sections of V and scalloped contours. An illustrative example is given to show typical results obtained from the use of the proposed method of computation. The accuracy of the approximate method was evaluated through comparison with limited experimental data for two-dimensional drops of a rigid circular cylinder at a trim of 0 degrees and a flight -path angle of 90 degrees. The applicability of the proposed formulas to the design of rigid hulls is indicated by the rough agreement obtained between the computed and experimental results. A detailed computational procedure is included as an appendix.

  8. Physical-geometric optics method for large size faceted particles.

    PubMed

    Sun, Bingqiang; Yang, Ping; Kattawar, George W; Zhang, Xiaodong

    2017-10-02

    A new physical-geometric optics method is developed to compute the single-scattering properties of faceted particles. It incorporates a general absorption vector to accurately account for inhomogeneous wave effects, and subsequently yields the relevant analytical formulas effective and computationally efficient for absorptive scattering particles. A bundle of rays incident on a certain facet can be traced as a single beam. For a beam incident on multiple facets, a systematic beam-splitting technique based on computer graphics is used to split the original beam into several sub-beams so that each sub-beam is incident only on an individual facet. The new beam-splitting technique significantly reduces the computational burden. The present physical-geometric optics method can be generalized to arbitrary faceted particles with either convex or concave shapes and with a homogeneous or an inhomogeneous (e.g., a particle with a core) composition. The single-scattering properties of irregular convex homogeneous and inhomogeneous hexahedra are simulated and compared to their counterparts from two other methods including a numerically rigorous method.

  9. Adjoint Sensitivity Analysis for Scale-Resolving Turbulent Flow Solvers

    NASA Astrophysics Data System (ADS)

    Blonigan, Patrick; Garai, Anirban; Diosady, Laslo; Murman, Scott

    2017-11-01

    Adjoint-based sensitivity analysis methods are powerful design tools for engineers who use computational fluid dynamics. In recent years, these engineers have started to use scale-resolving simulations like large-eddy simulations (LES) and direct numerical simulations (DNS), which resolve more scales in complex flows with unsteady separation and jets than the widely-used Reynolds-averaged Navier-Stokes (RANS) methods. However, the conventional adjoint method computes large, unusable sensitivities for scale-resolving simulations, which unlike RANS simulations exhibit the chaotic dynamics inherent in turbulent flows. Sensitivity analysis based on least-squares shadowing (LSS) avoids the issues encountered by conventional adjoint methods, but has a high computational cost even for relatively small simulations. The following talk discusses a more computationally efficient formulation of LSS, ``non-intrusive'' LSS, and its application to turbulent flows simulated with a discontinuous-Galkerin spectral-element-method LES/DNS solver. Results are presented for the minimal flow unit, a turbulent channel flow with a limited streamwise and spanwise domain.

  10. Lanczos eigensolution method for high-performance computers

    NASA Technical Reports Server (NTRS)

    Bostic, Susan W.

    1991-01-01

    The theory, computational analysis, and applications are presented of a Lanczos algorithm on high performance computers. The computationally intensive steps of the algorithm are identified as: the matrix factorization, the forward/backward equation solution, and the matrix vector multiples. These computational steps are optimized to exploit the vector and parallel capabilities of high performance computers. The savings in computational time from applying optimization techniques such as: variable band and sparse data storage and access, loop unrolling, use of local memory, and compiler directives are presented. Two large scale structural analysis applications are described: the buckling of a composite blade stiffened panel with a cutout, and the vibration analysis of a high speed civil transport. The sequential computational time for the panel problem executed on a CONVEX computer of 181.6 seconds was decreased to 14.1 seconds with the optimized vector algorithm. The best computational time of 23 seconds for the transport problem with 17,000 degs of freedom was on the the Cray-YMP using an average of 3.63 processors.

  11. Stabilization and discontinuity-capturing parameters for space-time flow computations with finite element and isogeometric discretizations

    NASA Astrophysics Data System (ADS)

    Takizawa, Kenji; Tezduyar, Tayfun E.; Otoguro, Yuto

    2018-04-01

    Stabilized methods, which have been very common in flow computations for many years, typically involve stabilization parameters, and discontinuity-capturing (DC) parameters if the method is supplemented with a DC term. Various well-performing stabilization and DC parameters have been introduced for stabilized space-time (ST) computational methods in the context of the advection-diffusion equation and the Navier-Stokes equations of incompressible and compressible flows. These parameters were all originally intended for finite element discretization but quite often used also for isogeometric discretization. The stabilization and DC parameters we present here for ST computations are in the context of the advection-diffusion equation and the Navier-Stokes equations of incompressible flows, target isogeometric discretization, and are also applicable to finite element discretization. The parameters are based on a direction-dependent element length expression. The expression is outcome of an easy to understand derivation. The key components of the derivation are mapping the direction vector from the physical ST element to the parent ST element, accounting for the discretization spacing along each of the parametric coordinates, and mapping what we have in the parent element back to the physical element. The test computations we present for pure-advection cases show that the parameters proposed result in good solution profiles.

  12. An approach to quantum-computational hydrologic inverse analysis

    DOE PAGES

    O'Malley, Daniel

    2018-05-02

    Making predictions about flow and transport in an aquifer requires knowledge of the heterogeneous properties of the aquifer such as permeability. Computational methods for inverse analysis are commonly used to infer these properties from quantities that are more readily observable such as hydraulic head. We present a method for computational inverse analysis that utilizes a type of quantum computer called a quantum annealer. While quantum computing is in an early stage compared to classical computing, we demonstrate that it is sufficiently developed that it can be used to solve certain subsurface flow problems. We utilize a D-Wave 2X quantum annealermore » to solve 1D and 2D hydrologic inverse problems that, while small by modern standards, are similar in size and sometimes larger than hydrologic inverse problems that were solved with early classical computers. Our results and the rapid progress being made with quantum computing hardware indicate that the era of quantum-computational hydrology may not be too far in the future.« less

  13. An approach to quantum-computational hydrologic inverse analysis.

    PubMed

    O'Malley, Daniel

    2018-05-02

    Making predictions about flow and transport in an aquifer requires knowledge of the heterogeneous properties of the aquifer such as permeability. Computational methods for inverse analysis are commonly used to infer these properties from quantities that are more readily observable such as hydraulic head. We present a method for computational inverse analysis that utilizes a type of quantum computer called a quantum annealer. While quantum computing is in an early stage compared to classical computing, we demonstrate that it is sufficiently developed that it can be used to solve certain subsurface flow problems. We utilize a D-Wave 2X quantum annealer to solve 1D and 2D hydrologic inverse problems that, while small by modern standards, are similar in size and sometimes larger than hydrologic inverse problems that were solved with early classical computers. Our results and the rapid progress being made with quantum computing hardware indicate that the era of quantum-computational hydrology may not be too far in the future.

  14. An approach to quantum-computational hydrologic inverse analysis

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

    O'Malley, Daniel

    Making predictions about flow and transport in an aquifer requires knowledge of the heterogeneous properties of the aquifer such as permeability. Computational methods for inverse analysis are commonly used to infer these properties from quantities that are more readily observable such as hydraulic head. We present a method for computational inverse analysis that utilizes a type of quantum computer called a quantum annealer. While quantum computing is in an early stage compared to classical computing, we demonstrate that it is sufficiently developed that it can be used to solve certain subsurface flow problems. We utilize a D-Wave 2X quantum annealermore » to solve 1D and 2D hydrologic inverse problems that, while small by modern standards, are similar in size and sometimes larger than hydrologic inverse problems that were solved with early classical computers. Our results and the rapid progress being made with quantum computing hardware indicate that the era of quantum-computational hydrology may not be too far in the future.« less

  15. The application of a computer data acquisition system to a new high temperature tribometer

    NASA Technical Reports Server (NTRS)

    Bonham, Charles D.; Dellacorte, Christopher

    1991-01-01

    The two data acquisition computer programs are described which were developed for a high temperature friction and wear test apparatus, a tribometer. The raw data produced by the tribometer and the methods used to sample that data are explained. In addition, the instrumentation and computer hardware and software are presented. Also shown is how computer data acquisition was applied to increase convenience and productivity on a high temperature tribometer.

  16. The application of a computer data acquisition system for a new high temperature tribometer

    NASA Technical Reports Server (NTRS)

    Bonham, Charles D.; Dellacorte, Christopher

    1990-01-01

    The two data acquisition computer programs are described which were developed for a high temperature friction and wear test apparatus, a tribometer. The raw data produced by the tribometer and the methods used to sample that data are explained. In addition, the instrumentation and computer hardware and software are presented. Also shown is how computer data acquisition was applied to increase convenience and productivity on a high temperature tribometer.

  17. Mathematics of Computed Tomography

    NASA Astrophysics Data System (ADS)

    Hawkins, William Grant

    A review of the applications of the Radon transform is presented, with emphasis on emission computed tomography and transmission computed tomography. The theory of the 2D and 3D Radon transforms, and the effects of attenuation for emission computed tomography are presented. The algebraic iterative methods, their importance and limitations are reviewed. Analytic solutions of the 2D problem the convolution and frequency filtering methods based on linear shift invariant theory, and the solution of the circular harmonic decomposition by integral transform theory--are reviewed. The relation between the invisible kernels, the inverse circular harmonic transform, and the consistency conditions are demonstrated. The discussion and review are extended to the 3D problem-convolution, frequency filtering, spherical harmonic transform solutions, and consistency conditions. The Cormack algorithm based on reconstruction with Zernike polynomials is reviewed. An analogous algorithm and set of reconstruction polynomials is developed for the spherical harmonic transform. The relations between the consistency conditions, boundary conditions and orthogonal basis functions for the 2D projection harmonics are delineated and extended to the 3D case. The equivalence of the inverse circular harmonic transform, the inverse Radon transform, and the inverse Cormack transform is presented. The use of the number of nodes of a projection harmonic as a filter is discussed. Numerical methods for the efficient implementation of angular harmonic algorithms based on orthogonal functions and stable recursion are presented. The derivation of a lower bound for the signal-to-noise ratio of the Cormack algorithm is derived.

  18. Mixed time integration methods for transient thermal analysis of structures

    NASA Technical Reports Server (NTRS)

    Liu, W. K.

    1982-01-01

    The computational methods used to predict and optimize the thermal structural behavior of aerospace vehicle structures are reviewed. In general, two classes of algorithms, implicit and explicit, are used in transient thermal analysis of structures. Each of these two methods has its own merits. Due to the different time scales of the mechanical and thermal responses, the selection of a time integration method can be a different yet critical factor in the efficient solution of such problems. Therefore mixed time integration methods for transient thermal analysis of structures are being developed. The computer implementation aspects and numerical evaluation of these mixed time implicit-explicit algorithms in thermal analysis of structures are presented. A computationally useful method of estimating the critical time step for linear quadrilateral element is also given. Numerical tests confirm the stability criterion and accuracy characteristics of the methods. The superiority of these mixed time methods to the fully implicit method or the fully explicit method is also demonstrated.

  19. Mixed time integration methods for transient thermal analysis of structures

    NASA Technical Reports Server (NTRS)

    Liu, W. K.

    1983-01-01

    The computational methods used to predict and optimize the thermal-structural behavior of aerospace vehicle structures are reviewed. In general, two classes of algorithms, implicit and explicit, are used in transient thermal analysis of structures. Each of these two methods has its own merits. Due to the different time scales of the mechanical and thermal responses, the selection of a time integration method can be a difficult yet critical factor in the efficient solution of such problems. Therefore mixed time integration methods for transient thermal analysis of structures are being developed. The computer implementation aspects and numerical evaluation of these mixed time implicit-explicit algorithms in thermal analysis of structures are presented. A computationally-useful method of estimating the critical time step for linear quadrilateral element is also given. Numerical tests confirm the stability criterion and accuracy characteristics of the methods. The superiority of these mixed time methods to the fully implicit method or the fully explicit method is also demonstrated.

  20. Spacelab experiment computer study. Volume 1: Executive summary (presentation)

    NASA Technical Reports Server (NTRS)

    Lewis, J. L.; Hodges, B. C.; Christy, J. O.

    1976-01-01

    A quantitative cost for various Spacelab flight hardware configurations is provided along with varied software development options. A cost analysis of Spacelab computer hardware and software is presented. The cost study is discussed based on utilization of a central experiment computer with optional auxillary equipment. Groundrules and assumptions used in deriving the costing methods for all options in the Spacelab experiment study are presented. The groundrules and assumptions, are analysed and the options along with their cost considerations, are discussed. It is concluded that Spacelab program cost for software development and maintenance is independent of experimental hardware and software options, that distributed standard computer concept simplifies software integration without a significant increase in cost, and that decisions on flight computer hardware configurations should not be made until payload selection for a given mission and a detailed analysis of the mission requirements are completed.

  1. High-efficiency photorealistic computer-generated holograms based on the backward ray-tracing technique

    NASA Astrophysics Data System (ADS)

    Wang, Yuan; Chen, Zhidong; Sang, Xinzhu; Li, Hui; Zhao, Linmin

    2018-03-01

    Holographic displays can provide the complete optical wave field of a three-dimensional (3D) scene, including the depth perception. However, it often takes a long computation time to produce traditional computer-generated holograms (CGHs) without more complex and photorealistic rendering. The backward ray-tracing technique is able to render photorealistic high-quality images, which noticeably reduce the computation time achieved from the high-degree parallelism. Here, a high-efficiency photorealistic computer-generated hologram method is presented based on the ray-tracing technique. Rays are parallelly launched and traced under different illuminations and circumstances. Experimental results demonstrate the effectiveness of the proposed method. Compared with the traditional point cloud CGH, the computation time is decreased to 24 s to reconstruct a 3D object of 100 ×100 rays with continuous depth change.

  2. A Simplified Guidance for Target Missiles Used in Ballistic Missile Defence Evaluation

    NASA Astrophysics Data System (ADS)

    Prabhakar, N.; Kumar, I. D.; Tata, S. K.; Vaithiyanathan, V.

    2013-01-01

    A simplified guidance scheme for the target missiles used in Ballistic Missile Defence is presented in this paper. The proposed method has two major components, a Ground Guidance Computation (GGC) and an In-Flight Guidance Computation. The GGC which runs on the ground uses a missile model to generate attitude history in pitch plane and computes launch azimuth of the missile to compensate for the effect of earth rotation. The vehicle follows the pre launch computed attitude (theta) history in pitch plane and also applies the course correction in azimuth plane based on its deviation from the pre launch computed azimuth plane. This scheme requires less computations and counters In-flight disturbances such as wind, gust etc. quite efficiently. The simulation results show that the proposed method provides the satisfactory performance and robustness.

  3. DVS-SOFTWARE: An Effective Tool for Applying Highly Parallelized Hardware To Computational Geophysics

    NASA Astrophysics Data System (ADS)

    Herrera, I.; Herrera, G. S.

    2015-12-01

    Most geophysical systems are macroscopic physical systems. The behavior prediction of such systems is carried out by means of computational models whose basic models are partial differential equations (PDEs) [1]. Due to the enormous size of the discretized version of such PDEs it is necessary to apply highly parallelized super-computers. For them, at present, the most efficient software is based on non-overlapping domain decomposition methods (DDM). However, a limiting feature of the present state-of-the-art techniques is due to the kind of discretizations used in them. Recently, I. Herrera and co-workers using 'non-overlapping discretizations' have produced the DVS-Software which overcomes this limitation [2]. The DVS-software can be applied to a great variety of geophysical problems and achieves very high parallel efficiencies (90%, or so [3]). It is therefore very suitable for effectively applying the most advanced parallel supercomputers available at present. In a parallel talk, in this AGU Fall Meeting, Graciela Herrera Z. will present how this software is being applied to advance MOD-FLOW. Key Words: Parallel Software for Geophysics, High Performance Computing, HPC, Parallel Computing, Domain Decomposition Methods (DDM)REFERENCES [1]. Herrera Ismael and George F. Pinder, Mathematical Modelling in Science and Engineering: An axiomatic approach", John Wiley, 243p., 2012. [2]. Herrera, I., de la Cruz L.M. and Rosas-Medina A. "Non Overlapping Discretization Methods for Partial, Differential Equations". NUMER METH PART D E, 30: 1427-1454, 2014, DOI 10.1002/num 21852. (Open source) [3]. Herrera, I., & Contreras Iván "An Innovative Tool for Effectively Applying Highly Parallelized Software To Problems of Elasticity". Geofísica Internacional, 2015 (In press)

  4. Discrete is it enough? The revival of Piola-Hencky keynotes to analyze three-dimensional Elastica

    NASA Astrophysics Data System (ADS)

    Turco, Emilio

    2018-04-01

    Complex problems such as those concerning the mechanics of materials can be confronted only by considering numerical simulations. Analytical methods are useful to build guidelines or reference solutions but, for general cases of technical interest, they have to be solved numerically, especially in the case of large displacements and deformations. Probably continuous models arose for producing inspiring examples and stemmed from homogenization techniques. These techniques allowed for the solution of some paradigmatic examples but, in general, always require a discretization method for solving problems dictated by the applications. Therefore, and also by taking into account that computing powers are nowadays more largely available and cheap, the question arises: why not using directly a discrete model for 3D beams? In other words, it could be interesting to formulate a discrete model without using an intermediate continuum one, as this last, at the end, has to be discretized in any case. These simple considerations immediately evoke some very basic models developed many years ago when the computing powers were practically inexistent but the problem of finding simple solutions to beam deformation problem was already an emerging one. Actually, in recent years, the keynotes of Hencky and Piola attracted a renewed attention [see, one for all, the work (Turco et al. in Zeitschrift für Angewandte Mathematik und Physik 67(4):1-28, 2016)]: generalizing their results, in the present paper, a novel directly discrete three-dimensional beam model is presented and discussed, in the framework of geometrically nonlinear analysis. Using a stepwise algorithm based essentially on Newton's method to compute the extrapolations and on the Riks' arc-length method to perform the corrections, we could obtain some numerical simulations showing the computational effectiveness of presented model: Indeed, it presents a convenient balance between accuracy and computational cost.

  5. NASA aerodynamics program

    NASA Technical Reports Server (NTRS)

    Holmes, Bruce J.; Schairer, Edward; Hicks, Gary; Wander, Stephen; Blankson, Isiaiah; Rose, Raymond; Olson, Lawrence; Unger, George

    1990-01-01

    Presented here is a comprehensive review of the following aerodynamics elements: computational methods and applications, computational fluid dynamics (CFD) validation, transition and turbulence physics, numerical aerodynamic simulation, drag reduction, test techniques and instrumentation, configuration aerodynamics, aeroacoustics, aerothermodynamics, hypersonics, subsonic transport/commuter aviation, fighter/attack aircraft and rotorcraft.

  6. Agile Development of Various Computational Power Adaptive Web-Based Mobile-Learning Software Using Mobile Cloud Computing

    ERIC Educational Resources Information Center

    Zadahmad, Manouchehr; Yousefzadehfard, Parisa

    2016-01-01

    Mobile Cloud Computing (MCC) aims to improve all mobile applications such as m-learning systems. This study presents an innovative method to use web technology and software engineering's best practices to provide m-learning functionalities hosted in a MCC-learning system as service. Components hosted by MCC are used to empower developers to create…

  7. Tree volume and biomass equations for the Lake States.

    Treesearch

    Jerold T. Hahn

    1984-01-01

    Presents species specific equations and methods for computing tree height, cubic foot, and board foot volume, and biomass for the Lake States (Michigan, Minnesota, and Wisconsin). Height equations compute either total or merchantable height to a variable top d.o.b. from d.b.h., site index, and basal area. Volumes and biomass are computed from d.b.h. and height.

  8. Modeling and simulation of ocean wave propagation using lattice Boltzmann method

    NASA Astrophysics Data System (ADS)

    Nuraiman, Dian

    2017-10-01

    In this paper, we present on modeling and simulation of ocean wave propagation from the deep sea to the shoreline. This requires high computational cost for simulation with large domain. We propose to couple a 1D shallow water equations (SWE) model with a 2D incompressible Navier-Stokes equations (NSE) model in order to reduce the computational cost. The coupled model is solved using the lattice Boltzmann method (LBM) with the lattice Bhatnagar-Gross-Krook (BGK) scheme. Additionally, a special method is implemented to treat the complex behavior of free surface close to the shoreline. The result shows the coupled model can reduce computational cost significantly compared to the full NSE model.

  9. Recursive Newton-Euler formulation of manipulator dynamics

    NASA Technical Reports Server (NTRS)

    Nasser, M. G.

    1989-01-01

    A recursive Newton-Euler procedure is presented for the formulation and solution of manipulator dynamical equations. The procedure includes rotational and translational joints and a topological tree. This model was verified analytically using a planar two-link manipulator. Also, the model was tested numerically against the Walker-Orin model using the Shuttle Remote Manipulator System data. The hinge accelerations obtained from both models were identical. The computational requirements of the model vary linearly with the number of joints. The computational efficiency of this method exceeds that of Walker-Orin methods. This procedure may be viewed as a considerable generalization of Armstrong's method. A six-by-six formulation is adopted which enhances both the computational efficiency and simplicity of the model.

  10. Validation Methods for Fault-Tolerant avionics and control systems, working group meeting 1

    NASA Technical Reports Server (NTRS)

    1979-01-01

    The proceedings of the first working group meeting on validation methods for fault tolerant computer design are presented. The state of the art in fault tolerant computer validation was examined in order to provide a framework for future discussions concerning research issues for the validation of fault tolerant avionics and flight control systems. The development of positions concerning critical aspects of the validation process are given.

  11. A method for mapping fire hazard and risk across multiple scales and its application in fire management

    Treesearch

    Robert E. Keane; Stacy A. Drury; Eva C. Karau; Paul F. Hessburg; Keith M. Reynolds

    2010-01-01

    This paper presents modeling methods for mapping fire hazard and fire risk using a research model called FIREHARM (FIRE Hazard and Risk Model) that computes common measures of fire behavior, fire danger, and fire effects to spatially portray fire hazard over space. FIREHARM can compute a measure of risk associated with the distribution of these measures over time using...

  12. Computer Program for Thin Wire Antenna over a Perfectly Conducting Ground Plane. [using Galerkins method and sinusoidal bases

    NASA Technical Reports Server (NTRS)

    Richmond, J. H.

    1974-01-01

    A computer program is presented for a thin-wire antenna over a perfect ground plane. The analysis is performed in the frequency domain, and the exterior medium is free space. The antenna may have finite conductivity and lumped loads. The output data includes the current distribution, impedance, radiation efficiency, and gain. The program uses sinusoidal bases and Galerkin's method.

  13. Computational Discovery of Materials Using the Firefly Algorithm

    NASA Astrophysics Data System (ADS)

    Avendaño-Franco, Guillermo; Romero, Aldo

    Our current ability to model physical phenomena accurately, the increase computational power and better algorithms are the driving forces behind the computational discovery and design of novel materials, allowing for virtual characterization before their realization in the laboratory. We present the implementation of a novel firefly algorithm, a population-based algorithm for global optimization for searching the structure/composition space. This novel computation-intensive approach naturally take advantage of concurrency, targeted exploration and still keeping enough diversity. We apply the new method in both periodic and non-periodic structures and we present the implementation challenges and solutions to improve efficiency. The implementation makes use of computational materials databases and network analysis to optimize the search and get insights about the geometric structure of local minima on the energy landscape. The method has been implemented in our software PyChemia, an open-source package for materials discovery. We acknowledge the support of DMREF-NSF 1434897 and the Donors of the American Chemical Society Petroleum Research Fund for partial support of this research under Contract 54075-ND10.

  14. Automatic cloud tracking applied to GOES and Meteosat observations

    NASA Technical Reports Server (NTRS)

    Endlich, R. M.; Wolf, D. E.

    1981-01-01

    An improved automatic processing method for the tracking of cloud motions as revealed by satellite imagery is presented and applications of the method to GOES observations of Hurricane Eloise and Meteosat water vapor and infrared data are presented. The method is shown to involve steps of picture smoothing, target selection and the calculation of cloud motion vectors by the matching of a group at a given time with its best likeness at a later time, or by a cross-correlation computation. Cloud motion computations can be made in as many as four separate layers simultaneously. For data of 4 and 8 km resolution in the eye of Hurricane Eloise, the automatic system is found to provide results comparable in accuracy and coverage to those obtained by NASA analysts using the Atmospheric and Oceanographic Information Processing System, with results obtained by the pattern recognition and cross correlation computations differing by only fractions of a pixel. For Meteosat water vapor data from the tropics and midlatitudes, the automatic motion computations are found to be reliable only in areas where the water vapor fields contained small-scale structure, although excellent results are obtained using Meteosat IR data in the same regions. The automatic method thus appears to be competitive in accuracy and coverage with motion determination by human analysts.

  15. An Inexpensive and Automated Method for Presenting Olfactory or Tactile Stimuli to Rats in a Two-Choice Discrimination Task

    ERIC Educational Resources Information Center

    Iversen, Iver H.

    2008-01-01

    An inexpensive and automated method for presentation of olfactory or tactile stimuli in a two-choice task for rats was implemented with the use of a computer-controlled bidirectional motor. The motor rotated a disk that presented two stimuli of different texture for tactile discrimination, or different odor for olfactory discrimination. Because…

  16. Extrapolation of sonic boom pressure signatures by the waveform parameter method

    NASA Technical Reports Server (NTRS)

    Thomas, C. L.

    1972-01-01

    The waveform parameter method of sonic boom extrapolation is derived and shown to be equivalent to the F-function method. A computer program based on the waveform parameter method is presented and discussed, with a sample case demonstrating program input and output.

  17. Survey of methods for secure connection to the internet

    NASA Astrophysics Data System (ADS)

    Matsui, Shouichi

    1994-04-01

    This paper describes a study of a security method of protecting inside network computers against outside miscreants and unwelcome visitors and a control method when these computers are connected with the Internet. In the present Internet, a method to encipher all data cannot be used, so that it is necessary to utilize PEM (Privacy Enhanced Mail) capable of the encipherment and conversion of secret information. For preventing miscreant access by eavesdropping password, one-time password is effective. The most cost-effective method is a firewall system. This system lies between the outside and inside network. By limiting computers that directly communicate with the Internet, control is centralized and inside network security is protected. If the security of firewall systems is strictly controlled under correct setting, security within the network can be secured even in open networks such as the Internet.

  18. An efficient coordinate transformation technique for unsteady, transonic aerodynamic analysis of low aspect-ratio wings

    NASA Technical Reports Server (NTRS)

    Guruswamy, G. P.; Goorjian, P. M.

    1984-01-01

    An efficient coordinate transformation technique is presented for constructing grids for unsteady, transonic aerodynamic computations for delta-type wings. The original shearing transformation yielded computations that were numerically unstable and this paper discusses the sources of those instabilities. The new shearing transformation yields computations that are stable, fast, and accurate. Comparisons of those two methods are shown for the flow over the F5 wing that demonstrate the new stability. Also, comparisons are made with experimental data that demonstrate the accuracy of the new method. The computations were made by using a time-accurate, finite-difference, alternating-direction-implicit (ADI) algorithm for the transonic small-disturbance potential equation.

  19. Supercomputer optimizations for stochastic optimal control applications

    NASA Technical Reports Server (NTRS)

    Chung, Siu-Leung; Hanson, Floyd B.; Xu, Huihuang

    1991-01-01

    Supercomputer optimizations for a computational method of solving stochastic, multibody, dynamic programming problems are presented. The computational method is valid for a general class of optimal control problems that are nonlinear, multibody dynamical systems, perturbed by general Markov noise in continuous time, i.e., nonsmooth Gaussian as well as jump Poisson random white noise. Optimization techniques for vector multiprocessors or vectorizing supercomputers include advanced data structures, loop restructuring, loop collapsing, blocking, and compiler directives. These advanced computing techniques and superconducting hardware help alleviate Bellman's curse of dimensionality in dynamic programming computations, by permitting the solution of large multibody problems. Possible applications include lumped flight dynamics models for uncertain environments, such as large scale and background random aerospace fluctuations.

  20. A fast indirect method to compute functions of genomic relationships concerning genotyped and ungenotyped individuals, for diversity management.

    PubMed

    Colleau, Jean-Jacques; Palhière, Isabelle; Rodríguez-Ramilo, Silvia T; Legarra, Andres

    2017-12-01

    Pedigree-based management of genetic diversity in populations, e.g., using optimal contributions, involves computation of the [Formula: see text] type yielding elements (relationships) or functions (usually averages) of relationship matrices. For pedigree-based relationships [Formula: see text], a very efficient method exists. When all the individuals of interest are genotyped, genomic management can be addressed using the genomic relationship matrix [Formula: see text]; however, to date, the computational problem of efficiently computing [Formula: see text] has not been well studied. When some individuals of interest are not genotyped, genomic management should consider the relationship matrix [Formula: see text] that combines genotyped and ungenotyped individuals; however, direct computation of [Formula: see text] is computationally very demanding, because construction of a possibly huge matrix is required. Our work presents efficient ways of computing [Formula: see text] and [Formula: see text], with applications on real data from dairy sheep and dairy goat breeding schemes. For genomic relationships, an efficient indirect computation with quadratic instead of cubic cost is [Formula: see text], where Z is a matrix relating animals to genotypes. For the relationship matrix [Formula: see text], we propose an indirect method based on the difference between vectors [Formula: see text], which involves computation of [Formula: see text] and of products such as [Formula: see text] and [Formula: see text], where [Formula: see text] is a working vector derived from [Formula: see text]. The latter computation is the most demanding but can be done using sparse Cholesky decompositions of matrix [Formula: see text], which allows handling very large genomic and pedigree data files. Studies based on simulations reported in the literature show that the trends of average relationships in [Formula: see text] and [Formula: see text] differ as genomic selection proceeds. When selection is based on genomic relationships but management is based on pedigree data, the true genetic diversity is overestimated. However, our tests on real data from sheep and goat obtained before genomic selection started do not show this. We present efficient methods to compute elements and statistics of the genomic relationships [Formula: see text] and of matrix [Formula: see text] that combines ungenotyped and genotyped individuals. These methods should be useful to monitor and handle genomic diversity.

  1. Advanced display object selection methods for enhancing user-computer productivity

    NASA Technical Reports Server (NTRS)

    Osga, Glenn A.

    1993-01-01

    The User-Interface Technology Branch at NCCOSC RDT&E Division has been conducting a series of studies to address the suitability of commercial off-the-shelf (COTS) graphic user-interface (GUI) methods for efficiency and performance in critical naval combat systems. This paper presents an advanced selection algorithm and method developed to increase user performance when making selections on tactical displays. The method has also been applied with considerable success to a variety of cursor and pointing tasks. Typical GUI's allow user selection by: (1) moving a cursor with a pointing device such as a mouse, trackball, joystick, touchscreen; and (2) placing the cursor on the object. Examples of GUI objects are the buttons, icons, folders, scroll bars, etc. used in many personal computer and workstation applications. This paper presents an improved method of selection and the theoretical basis for the significant performance gains achieved with various input devices tested. The method is applicable to all GUI styles and display sizes, and is particularly useful for selections on small screens such as notebook computers. Considering the amount of work-hours spent pointing and clicking across all styles of available graphic user-interfaces, the cost/benefit in applying this method to graphic user-interfaces is substantial, with the potential for increasing productivity across thousands of users and applications.

  2. Moving Sound Source Localization Based on Sequential Subspace Estimation in Actual Room Environments

    NASA Astrophysics Data System (ADS)

    Tsuji, Daisuke; Suyama, Kenji

    This paper presents a novel method for moving sound source localization and its performance evaluation in actual room environments. The method is based on the MUSIC (MUltiple SIgnal Classification) which is one of the most high resolution localization methods. When using the MUSIC, a computation of eigenvectors of correlation matrix is required for the estimation. It needs often a high computational costs. Especially, in the situation of moving source, it becomes a crucial drawback because the estimation must be conducted at every the observation time. Moreover, since the correlation matrix varies its characteristics due to the spatial-temporal non-stationarity, the matrix have to be estimated using only a few observed samples. It makes the estimation accuracy degraded. In this paper, the PAST (Projection Approximation Subspace Tracking) is applied for sequentially estimating the eigenvectors spanning the subspace. In the PAST, the eigen-decomposition is not required, and therefore it is possible to reduce the computational costs. Several experimental results in the actual room environments are shown to present the superior performance of the proposed method.

  3. Adjoint-based sensitivity analysis of low-order thermoacoustic networks using a wave-based approach

    NASA Astrophysics Data System (ADS)

    Aguilar, José G.; Magri, Luca; Juniper, Matthew P.

    2017-07-01

    Strict pollutant emission regulations are pushing gas turbine manufacturers to develop devices that operate in lean conditions, with the downside that combustion instabilities are more likely to occur. Methods to predict and control unstable modes inside combustion chambers have been developed in the last decades but, in some cases, they are computationally expensive. Sensitivity analysis aided by adjoint methods provides valuable sensitivity information at a low computational cost. This paper introduces adjoint methods and their application in wave-based low order network models, which are used as industrial tools, to predict and control thermoacoustic oscillations. Two thermoacoustic models of interest are analyzed. First, in the zero Mach number limit, a nonlinear eigenvalue problem is derived, and continuous and discrete adjoint methods are used to obtain the sensitivities of the system to small modifications. Sensitivities to base-state modification and feedback devices are presented. Second, a more general case with non-zero Mach number, a moving flame front and choked outlet, is presented. The influence of the entropy waves on the computed sensitivities is shown.

  4. Four-body trajectory optimization

    NASA Technical Reports Server (NTRS)

    Pu, C. L.; Edelbaum, T. N.

    1974-01-01

    A comprehensive optimization program has been developed for computing fuel-optimal trajectories between the earth and a point in the sun-earth-moon system. It presents methods for generating fuel optimal two-impulse trajectories which may originate at the earth or a point in space and fuel optimal three-impulse trajectories between two points in space. The extrapolation of the state vector and the computation of the state transition matrix are accomplished by the Stumpff-Weiss method. The cost and constraint gradients are computed analytically in terms of the terminal state and the state transition matrix. The 4-body Lambert problem is solved by using the Newton-Raphson method. An accelerated gradient projection method is used to optimize a 2-impulse trajectory with terminal constraint. The Davidon's Variance Method is used both in the accelerated gradient projection method and the outer loop of a 3-impulse trajectory optimization problem.

  5. Viscous-inviscid interaction method including wake effects for three-dimensional wing-body configurations

    NASA Technical Reports Server (NTRS)

    Streett, C. L.

    1981-01-01

    A viscous-inviscid interaction method has been developed by using a three-dimensional integral boundary-layer method which produces results in good agreement with a finite-difference method in a fraction of the computer time. The integral method is stable and robust and incorporates a model for computation in a small region of streamwise separation. A locally two-dimensional wake model, accounting for thickness and curvature effects, is also included in the interaction procedure. Computation time spent in converging an interacted result is, many times, only slightly greater than that required to converge an inviscid calculation. Results are shown from the interaction method, run at experimental angle of attack, Reynolds number, and Mach number, on a wing-body test case for which viscous effects are large. Agreement with experiment is good; in particular, the present wake model improves prediction of the spanwise lift distribution and lower surface cove pressure.

  6. pK(A) in proteins solving the Poisson-Boltzmann equation with finite elements.

    PubMed

    Sakalli, Ilkay; Knapp, Ernst-Walter

    2015-11-05

    Knowledge on pK(A) values is an eminent factor to understand the function of proteins in living systems. We present a novel approach demonstrating that the finite element (FE) method of solving the linearized Poisson-Boltzmann equation (lPBE) can successfully be used to compute pK(A) values in proteins with high accuracy as a possible replacement to finite difference (FD) method. For this purpose, we implemented the software molecular Finite Element Solver (mFES) in the framework of the Karlsberg+ program to compute pK(A) values. This work focuses on a comparison between pK(A) computations obtained with the well-established FD method and with the new developed FE method mFES, solving the lPBE using protein crystal structures without conformational changes. Accurate and coarse model systems are set up with mFES using a similar number of unknowns compared with the FD method. Our FE method delivers results for computations of pK(A) values and interaction energies of titratable groups, which are comparable in accuracy. We introduce different thermodynamic cycles to evaluate pK(A) values and we show for the FE method how different parameters influence the accuracy of computed pK(A) values. © 2015 Wiley Periodicals, Inc.

  7. Parameter estimation in large-scale systems biology models: a parallel and self-adaptive cooperative strategy.

    PubMed

    Penas, David R; González, Patricia; Egea, Jose A; Doallo, Ramón; Banga, Julio R

    2017-01-21

    The development of large-scale kinetic models is one of the current key issues in computational systems biology and bioinformatics. Here we consider the problem of parameter estimation in nonlinear dynamic models. Global optimization methods can be used to solve this type of problems but the associated computational cost is very large. Moreover, many of these methods need the tuning of a number of adjustable search parameters, requiring a number of initial exploratory runs and therefore further increasing the computation times. Here we present a novel parallel method, self-adaptive cooperative enhanced scatter search (saCeSS), to accelerate the solution of this class of problems. The method is based on the scatter search optimization metaheuristic and incorporates several key new mechanisms: (i) asynchronous cooperation between parallel processes, (ii) coarse and fine-grained parallelism, and (iii) self-tuning strategies. The performance and robustness of saCeSS is illustrated by solving a set of challenging parameter estimation problems, including medium and large-scale kinetic models of the bacterium E. coli, bakerés yeast S. cerevisiae, the vinegar fly D. melanogaster, Chinese Hamster Ovary cells, and a generic signal transduction network. The results consistently show that saCeSS is a robust and efficient method, allowing very significant reduction of computation times with respect to several previous state of the art methods (from days to minutes, in several cases) even when only a small number of processors is used. The new parallel cooperative method presented here allows the solution of medium and large scale parameter estimation problems in reasonable computation times and with small hardware requirements. Further, the method includes self-tuning mechanisms which facilitate its use by non-experts. We believe that this new method can play a key role in the development of large-scale and even whole-cell dynamic models.

  8. Computer-aided head film analysis: the University of California San Francisco method.

    PubMed

    Baumrind, S; Miller, D M

    1980-07-01

    Computer technology is already assuming an important role in the management of orthodontic practices. The next 10 years are likely to see expansion in computer usage into the areas of diagnosis, treatment planning, and treatment-record keeping. In the areas of diagnosis and treatment planning, one of the first problems to be attacked will be the automation of head film analysis. The problems of constructing computer-aided systems for this purpose are considered herein in the light of the authors' 10 years of experience in developing a similar system for research purposes. The need for building in methods for automatic detection and correction of gross errors is discussed and the authors' method for doing so is presented. The construction of a rudimentary machine-readable data base for research and clinical purposes is described.

  9. A Novel Method for Characterization of Superconductors: Physical Measurements and Modeling of Thin Films

    NASA Technical Reports Server (NTRS)

    Kim, B. F.; Moorjani, K.; Phillips, T. E.; Adrian, F. J.; Bohandy, J.; Dolecek, Q. E.

    1993-01-01

    A method for characterization of granular superconducting thin films has been developed which encompasses both the morphological state of the sample and its fabrication process parameters. The broad scope of this technique is due to the synergism between experimental measurements and their interpretation using numerical simulation. Two novel technologies form the substance of this system: the magnetically modulated resistance method for characterizing superconductors; and a powerful new computer peripheral, the Parallel Information Processor card, which provides enhanced computing capability for PC computers. This enhancement allows PC computers to operate at speeds approaching that of supercomputers. This makes atomic scale simulations possible on low cost machines. The present development of this system involves the integration of these two technologies using mesoscale simulations of thin film growth. A future stage of development will incorporate atomic scale modeling.

  10. Computation of Quasiperiodic Normally Hyperbolic Invariant Tori: Rigorous Results

    NASA Astrophysics Data System (ADS)

    Canadell, Marta; Haro, Àlex

    2017-12-01

    The development of efficient methods for detecting quasiperiodic oscillations and computing the corresponding invariant tori is a subject of great importance in dynamical systems and their applications in science and engineering. In this paper, we prove the convergence of a new Newton-like method for computing quasiperiodic normally hyperbolic invariant tori carrying quasiperiodic motion in smooth families of real-analytic dynamical systems. The main result is stated as an a posteriori KAM-like theorem that allows controlling the inner dynamics on the torus with appropriate detuning parameters, in order to obtain a prescribed quasiperiodic motion. The Newton-like method leads to several fast and efficient computational algorithms, which are discussed and tested in a companion paper (Canadell and Haro in J Nonlinear Sci, 2017. doi: 10.1007/s00332-017-9388-z), in which new mechanisms of breakdown are presented.

  11. The application of computer image analysis in life sciences and environmental engineering

    NASA Astrophysics Data System (ADS)

    Mazur, R.; Lewicki, A.; Przybył, K.; Zaborowicz, M.; Koszela, K.; Boniecki, P.; Mueller, W.; Raba, B.

    2014-04-01

    The main aim of the article was to present research on the application of computer image analysis in Life Science and Environmental Engineering. The authors used different methods of computer image analysis in developing of an innovative biotest in modern biomonitoring of water quality. Created tools were based on live organisms such as bioindicators Lemna minor L. and Hydra vulgaris Pallas as well as computer image analysis method in the assessment of negatives reactions during the exposition of the organisms to selected water toxicants. All of these methods belong to acute toxicity tests and are particularly essential in ecotoxicological assessment of water pollutants. Developed bioassays can be used not only in scientific research but are also applicable in environmental engineering and agriculture in the study of adverse effects on water quality of various compounds used in agriculture and industry.

  12. Computational simulations of supersonic magnetohydrodynamic flow control, power and propulsion systems

    NASA Astrophysics Data System (ADS)

    Wan, Tian

    This work is motivated by the lack of fully coupled computational tool that solves successfully the turbulent chemically reacting Navier-Stokes equation, the electron energy conservation equation and the electric current Poisson equation. In the present work, the abovementioned equations are solved in a fully coupled manner using fully implicit parallel GMRES methods. The system of Navier-Stokes equations are solved using a GMRES method with combined Schwarz and ILU(0) preconditioners. The electron energy equation and the electric current Poisson equation are solved using a GMRES method with combined SOR and Jacobi preconditioners. The fully coupled method has also been implemented successfully in an unstructured solver, US3D, and convergence test results were presented. This new method is shown two to five times faster than the original DPLR method. The Poisson solver is validated with analytic test problems. Then, four problems are selected; two of them are computed to explore the possibility of onboard MHD control and power generation, and the other two are simulation of experiments. First, the possibility of onboard reentry shock control by a magnetic field is explored. As part of a previous project, MHD power generation onboard a re-entry vehicle is also simulated. Then, the MHD acceleration experiments conducted at NASA Ames research center are simulated. Lastly, the MHD power generation experiments known as the HVEPS project are simulated. For code validation, the scramjet experiments at University of Queensland are simulated first. The generator section of the HVEPS test facility is computed then. The main conclusion is that the computational tool is accurate for different types of problems and flow conditions, and its accuracy and efficiency are necessary when the flow complexity increases.

  13. A Statistical Approach for the Concurrent Coupling of Molecular Dynamics and Finite Element Methods

    NASA Technical Reports Server (NTRS)

    Saether, E.; Yamakov, V.; Glaessgen, E.

    2007-01-01

    Molecular dynamics (MD) methods are opening new opportunities for simulating the fundamental processes of material behavior at the atomistic level. However, increasing the size of the MD domain quickly presents intractable computational demands. A robust approach to surmount this computational limitation has been to unite continuum modeling procedures such as the finite element method (FEM) with MD analyses thereby reducing the region of atomic scale refinement. The challenging problem is to seamlessly connect the two inherently different simulation techniques at their interface. In the present work, a new approach to MD-FEM coupling is developed based on a restatement of the typical boundary value problem used to define a coupled domain. The method uses statistical averaging of the atomistic MD domain to provide displacement interface boundary conditions to the surrounding continuum FEM region, which, in return, generates interface reaction forces applied as piecewise constant traction boundary conditions to the MD domain. The two systems are computationally disconnected and communicate only through a continuous update of their boundary conditions. With the use of statistical averages of the atomistic quantities to couple the two computational schemes, the developed approach is referred to as an embedded statistical coupling method (ESCM) as opposed to a direct coupling method where interface atoms and FEM nodes are individually related. The methodology is inherently applicable to three-dimensional domains, avoids discretization of the continuum model down to atomic scales, and permits arbitrary temperatures to be applied.

  14. First-arrival traveltime computation for quasi-P waves in 2D transversely isotropic media using Fermat’s principle-based fast marching

    NASA Astrophysics Data System (ADS)

    Hu, Jiangtao; Cao, Junxing; Wang, Huazhong; Wang, Xingjian; Jiang, Xudong

    2017-12-01

    First-arrival traveltime computation for quasi-P waves in transversely isotropic (TI) media is the key component of tomography and depth migration. It is appealing to use the fast marching method in isotropic media as it efficiently computes traveltime along an expanding wavefront. It uses the finite difference method to solve the eikonal equation. However, applying the fast marching method in anisotropic media faces challenges because the anisotropy introduces additional nonlinearity in the eikonal equation and solving this nonlinear eikonal equation with the finite difference method is challenging. To address this problem, we present a Fermat’s principle-based fast marching method to compute traveltime in two-dimensional TI media. This method is applicable in both vertical and tilted TI (VTI and TTI) media. It computes traveltime along an expanding wavefront using Fermat’s principle instead of the eikonal equation. Thus, it does not suffer from the nonlinearity of the eikonal equation in TI media. To compute traveltime using Fermat’s principle, the explicit expression of group velocity in TI media is required to describe the ray propagation. The moveout approximation is adopted to obtain the explicit expression of group velocity. Numerical examples on both VTI and TTI models show that the traveltime contour obtained by the proposed method matches well with the wavefront from the wave equation. This shows that the proposed method could be used in depth migration and tomography.

  15. The modelling of the flow-induced vibrations of periodic flat and axial-symmetric structures with a wave-based method

    NASA Astrophysics Data System (ADS)

    Errico, F.; Ichchou, M.; De Rosa, S.; Bareille, O.; Franco, F.

    2018-06-01

    The stochastic response of periodic flat and axial-symmetric structures, subjected to random and spatially-correlated loads, is here analysed through an approach based on the combination of a wave finite element and a transfer matrix method. Although giving a lower computational cost, the present approach keeps the same accuracy of classic finite element methods. When dealing with homogeneous structures, the accuracy is also extended to higher frequencies, without increasing the time of calculation. Depending on the complexity of the structure and the frequency range, the computational cost can be reduced more than two orders of magnitude. The presented methodology is validated both for simple and complex structural shapes, under deterministic and random loads.

  16. Computation of aeroelastic characteristics and stress-strained state of parachutes

    NASA Astrophysics Data System (ADS)

    Dneprov, Igor'v.

    The paper presents computation results of the stress-strained state and aeroelastic characteristics of different types of parachutes in the process of their interaction with a flow. Simulation of the aerodynamic part of the aeroelastic problem is based on the discrete vortex method, while the elastic part of the problem is solved by employing either the finite element method, or the finite difference method. The research covers the following problems of the axisymmetric parachutes dynamic aeroelasticity: parachute inflation, forebody influence on the aerodynamic characteristics of the object-parachute system, parachute disreefing, parachute inflation in the presence of the engagement parachute. The paper also presents the solution of the spatial problem of static aeroelasticity for a single-envelope ram-air parachute. Some practical recommendations are suggested.

  17. Effective atomic numbers of some tissue substitutes by different methods: A comparative study.

    PubMed

    Singh, Vishwanath P; Badiger, N M

    2014-01-01

    Effective atomic numbers of some human organ tissue substitutes such as polyethylene terephthalate, red articulation wax, paraffin 1, paraffin 2, bolus, pitch, polyphenylene sulfide, polysulfone, polyvinylchloride, and modeling clay have been calculated by four different methods like Auto-Zeff, direct, interpolation, and power law. It was found that the effective atomic numbers computed by Auto-Zeff, direct and interpolation methods were in good agreement for intermediate energy region (0.1 MeV < E < 5 MeV) where the Compton interaction dominates. A large difference in effective atomic numbers by direct method and Auto-Zeff was observed in photo-electric and pair-production regions. Effective atomic numbers computed by power law were found to be close to direct method in photo-electric absorption region. The Auto-Zeff, direct and interpolation methods were found to be in good agreement for computation of effective atomic numbers in intermediate energy region (100 keV < E < 10 MeV). The direct method was found to be appropriate method for computation of effective atomic numbers in photo-electric region (10 keV < E < 100 keV). The tissue equivalence of the tissue substitutes is possible to represent by any method for computation of effective atomic number mentioned in the present study. An accurate estimation of Rayleigh scattering is required to eliminate effect of molecular, chemical, or crystalline environment of the atom for estimation of gamma interaction parameters.

  18. Effective atomic numbers of some tissue substitutes by different methods: A comparative study

    PubMed Central

    Singh, Vishwanath P.; Badiger, N. M.

    2014-01-01

    Effective atomic numbers of some human organ tissue substitutes such as polyethylene terephthalate, red articulation wax, paraffin 1, paraffin 2, bolus, pitch, polyphenylene sulfide, polysulfone, polyvinylchloride, and modeling clay have been calculated by four different methods like Auto-Zeff, direct, interpolation, and power law. It was found that the effective atomic numbers computed by Auto-Zeff, direct and interpolation methods were in good agreement for intermediate energy region (0.1 MeV < E < 5 MeV) where the Compton interaction dominates. A large difference in effective atomic numbers by direct method and Auto-Zeff was observed in photo-electric and pair-production regions. Effective atomic numbers computed by power law were found to be close to direct method in photo-electric absorption region. The Auto-Zeff, direct and interpolation methods were found to be in good agreement for computation of effective atomic numbers in intermediate energy region (100 keV < E < 10 MeV). The direct method was found to be appropriate method for computation of effective atomic numbers in photo-electric region (10 keV < E < 100 keV). The tissue equivalence of the tissue substitutes is possible to represent by any method for computation of effective atomic number mentioned in the present study. An accurate estimation of Rayleigh scattering is required to eliminate effect of molecular, chemical, or crystalline environment of the atom for estimation of gamma interaction parameters. PMID:24600169

  19. Computational Fluid Dynamics of Whole-Body Aircraft

    NASA Astrophysics Data System (ADS)

    Agarwal, Ramesh

    1999-01-01

    The current state of the art in computational aerodynamics for whole-body aircraft flowfield simulations is described. Recent advances in geometry modeling, surface and volume grid generation, and flow simulation algorithms have led to accurate flowfield predictions for increasingly complex and realistic configurations. As a result, computational aerodynamics has emerged as a crucial enabling technology for the design and development of flight vehicles. Examples illustrating the current capability for the prediction of transport and fighter aircraft flowfields are presented. Unfortunately, accurate modeling of turbulence remains a major difficulty in the analysis of viscosity-dominated flows. In the future, inverse design methods, multidisciplinary design optimization methods, artificial intelligence technology, and massively parallel computer technology will be incorporated into computational aerodynamics, opening up greater opportunities for improved product design at substantially reduced costs.

  20. Computational flow development for unsteady viscous flows: Foundation of the numerical method

    NASA Technical Reports Server (NTRS)

    Bratanow, T.; Spehert, T.

    1978-01-01

    A procedure is presented for effective consideration of viscous effects in computational development of high Reynolds number flows. The procedure is based on the interpretation of the Navier-Stokes equations as vorticity transport equations. The physics of the flow was represented in a form suitable for numerical analysis. Lighthill's concept for flow development for computational purposes was adapted. The vorticity transport equations were cast in a form convenient for computation. A statement for these equations was written using the method of weighted residuals and applying the Galerkin criterion. An integral representation of the induced velocity was applied on the basis of the Biot-Savart law. Distribution of new vorticity, produced at wing surfaces over small computational time intervals, was assumed to be confined to a thin region around the wing surfaces.

  1. A computer method for schedule processing and quick-time updating.

    NASA Technical Reports Server (NTRS)

    Mccoy, W. H.

    1972-01-01

    A schedule analysis program is presented which can be used to process any schedule with continuous flow and with no loops. Although generally thought of as a management tool, it has applicability to such extremes as music composition and computer program efficiency analysis. Other possibilities for its use include the determination of electrical power usage during some operation such as spacecraft checkout, and the determination of impact envelopes for the purpose of scheduling payloads in launch processing. At the core of the described computer method is an algorithm which computes the position of each activity bar on the output waterfall chart. The algorithm is basically a maximal-path computation which gives to each node in the schedule network the maximal path from the initial node to the given node.

  2. A data reduction technique and associated computer program for obtaining vehicle attitudes with a single onboard camera

    NASA Technical Reports Server (NTRS)

    Bendura, R. J.; Renfroe, P. G.

    1974-01-01

    A detailed discussion of the application of a previously method to determine vehicle flight attitude using a single camera onboard the vehicle is presented with emphasis on the digital computer program format and data reduction techniques. Application requirements include film and earth-related coordinates of at least two landmarks (or features), location of the flight vehicle with respect to the earth, and camera characteristics. Included in this report are a detailed discussion of the program input and output format, a computer program listing, a discussion of modifications made to the initial method, a step-by-step basic data reduction procedure, and several example applications. The computer program is written in FORTRAN 4 language for the Control Data 6000 series digital computer.

  3. A multilevel finite element method for Fredholm integral eigenvalue problems

    NASA Astrophysics Data System (ADS)

    Xie, Hehu; Zhou, Tao

    2015-12-01

    In this work, we proposed a multigrid finite element (MFE) method for solving the Fredholm integral eigenvalue problems. The main motivation for such studies is to compute the Karhunen-Loève expansions of random fields, which play an important role in the applications of uncertainty quantification. In our MFE framework, solving the eigenvalue problem is converted to doing a series of integral iterations and eigenvalue solving in the coarsest mesh. Then, any existing efficient integration scheme can be used for the associated integration process. The error estimates are provided, and the computational complexity is analyzed. It is noticed that the total computational work of our method is comparable with a single integration step in the finest mesh. Several numerical experiments are presented to validate the efficiency of the proposed numerical method.

  4. A Metric for Reducing False Positives in the Computer-Aided Detection of Breast Cancer from Dynamic Contrast-Enhanced Magnetic Resonance Imaging Based Screening Examinations of High-Risk Women.

    PubMed

    Levman, Jacob E D; Gallego-Ortiz, Cristina; Warner, Ellen; Causer, Petrina; Martel, Anne L

    2016-02-01

    Magnetic resonance imaging (MRI)-enabled cancer screening has been shown to be a highly sensitive method for the early detection of breast cancer. Computer-aided detection systems have the potential to improve the screening process by standardizing radiologists to a high level of diagnostic accuracy. This retrospective study was approved by the institutional review board of Sunnybrook Health Sciences Centre. This study compares the performance of a proposed method for computer-aided detection (based on the second-order spatial derivative of the relative signal intensity) with the signal enhancement ratio (SER) on MRI-based breast screening examinations. Comparison is performed using receiver operating characteristic (ROC) curve analysis as well as free-response receiver operating characteristic (FROC) curve analysis. A modified computer-aided detection system combining the proposed approach with the SER method is also presented. The proposed method provides improvements in the rates of false positive markings over the SER method in the detection of breast cancer (as assessed by FROC analysis). The modified computer-aided detection system that incorporates both the proposed method and the SER method yields ROC results equal to that produced by SER while simultaneously providing improvements over the SER method in terms of false positives per noncancerous exam. The proposed method for identifying malignancies outperforms the SER method in terms of false positives on a challenging dataset containing many small lesions and may play a useful role in breast cancer screening by MRI as part of a computer-aided detection system.

  5. A spectral approach for discrete dislocation dynamics simulations of nanoindentation

    NASA Astrophysics Data System (ADS)

    Bertin, Nicolas; Glavas, Vedran; Datta, Dibakar; Cai, Wei

    2018-07-01

    We present a spectral approach to perform nanoindentation simulations using three-dimensional nodal discrete dislocation dynamics. The method relies on a two step approach. First, the contact problem between an indenter of arbitrary shape and an isotropic elastic half-space is solved using a spectral iterative algorithm, and the contact pressure is fully determined on the half-space surface. The contact pressure is then used as a boundary condition of the spectral solver to determine the resulting stress field produced in the simulation volume. In both stages, the mechanical fields are decomposed into Fourier modes and are efficiently computed using fast Fourier transforms. To further improve the computational efficiency, the method is coupled with a subcycling integrator and a special approach is devised to approximate the displacement field associated with surface steps. As a benchmark, the method is used to compute the response of an elastic half-space using different types of indenter. An example of a dislocation dynamics nanoindentation simulation with complex initial microstructure is presented.

  6. An adaptive model order reduction by proper snapshot selection for nonlinear dynamical problems

    NASA Astrophysics Data System (ADS)

    Nigro, P. S. B.; Anndif, M.; Teixeira, Y.; Pimenta, P. M.; Wriggers, P.

    2016-04-01

    Model Order Reduction (MOR) methods are employed in many fields of Engineering in order to reduce the processing time of complex computational simulations. A usual approach to achieve this is the application of Galerkin projection to generate representative subspaces (reduced spaces). However, when strong nonlinearities in a dynamical system are present and this technique is employed several times along the simulation, it can be very inefficient. This work proposes a new adaptive strategy, which ensures low computational cost and small error to deal with this problem. This work also presents a new method to select snapshots named Proper Snapshot Selection (PSS). The objective of the PSS is to obtain a good balance between accuracy and computational cost by improving the adaptive strategy through a better snapshot selection in real time (online analysis). With this method, it is possible a substantial reduction of the subspace, keeping the quality of the model without the use of the Proper Orthogonal Decomposition (POD).

  7. InPRO: Automated Indoor Construction Progress Monitoring Using Unmanned Aerial Vehicles

    NASA Astrophysics Data System (ADS)

    Hamledari, Hesam

    In this research, an envisioned automated intelligent robotic solution for automated indoor data collection and inspection that employs a series of unmanned aerial vehicles (UAV), entitled "InPRO", is presented. InPRO consists of four stages, namely: 1) automated path planning; 2) autonomous UAV-based indoor inspection; 3) automated computer vision-based assessment of progress; and, 4) automated updating of 4D building information models (BIM). The works presented in this thesis address the third stage of InPRO. A series of computer vision-based methods that automate the assessment of construction progress using images captured at indoor sites are introduced. The proposed methods employ computer vision and machine learning techniques to detect the components of under-construction indoor partitions. In particular, framing (studs), insulation, electrical outlets, and different states of drywall sheets (installing, plastering, and painting) are automatically detected using digital images. High accuracy rates, real-time performance, and operation without a priori information are indicators of the methods' promising performance.

  8. Spectral Element Method for the Simulation of Unsteady Compressible Flows

    NASA Technical Reports Server (NTRS)

    Diosady, Laslo Tibor; Murman, Scott M.

    2013-01-01

    This work uses a discontinuous-Galerkin spectral-element method (DGSEM) to solve the compressible Navier-Stokes equations [1{3]. The inviscid ux is computed using the approximate Riemann solver of Roe [4]. The viscous fluxes are computed using the second form of Bassi and Rebay (BR2) [5] in a manner consistent with the spectral-element approximation. The method of lines with the classical 4th-order explicit Runge-Kutta scheme is used for time integration. Results for polynomial orders up to p = 15 (16th order) are presented. The code is parallelized using the Message Passing Interface (MPI). The computations presented in this work are performed using the Sandy Bridge nodes of the NASA Pleiades supercomputer at NASA Ames Research Center. Each Sandy Bridge node consists of 2 eight-core Intel Xeon E5-2670 processors with a clock speed of 2.6Ghz and 2GB per core memory. On a Sandy Bridge node the Tau Benchmark [6] runs in a time of 7.6s.

  9. Linear solver performance in elastoplastic problem solution on GPU cluster

    NASA Astrophysics Data System (ADS)

    Khalevitsky, Yu. V.; Konovalov, A. V.; Burmasheva, N. V.; Partin, A. S.

    2017-12-01

    Applying the finite element method to severe plastic deformation problems involves solving linear equation systems. While the solution procedure is relatively hard to parallelize and computationally intensive by itself, a long series of large scale systems need to be solved for each problem. When dealing with fine computational meshes, such as in the simulations of three-dimensional metal matrix composite microvolume deformation, tens and hundreds of hours may be needed to complete the whole solution procedure, even using modern supercomputers. In general, one of the preconditioned Krylov subspace methods is used in a linear solver for such problems. The method convergence highly depends on the operator spectrum of a problem stiffness matrix. In order to choose the appropriate method, a series of computational experiments is used. Different methods may be preferable for different computational systems for the same problem. In this paper we present experimental data obtained by solving linear equation systems from an elastoplastic problem on a GPU cluster. The data can be used to substantiate the choice of the appropriate method for a linear solver to use in severe plastic deformation simulations.

  10. 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

    2018-01-01

    Utility of the computational power of Graphics Processing Units (GPUs) is elaborated for solutions of incompressible Navier-Stokes equations which are integrated using a semi-implicit fractional-step method. The Alternating Direction Implicit (ADI) and the Fourier-transform-based direct solution methods used in the semi-implicit fractional-step method take advantage of multiple tridiagonal matrices whose inversion is known as the major bottleneck for acceleration on a typical multi-core machine. A novel implementation of the semi-implicit fractional-step method designed for GPU acceleration of the incompressible Navier-Stokes equations is presented. Aspects of the programing model of Compute Unified Device Architecture (CUDA), which are critical to the bandwidth-bound nature of the present method are discussed in detail. A data layout for efficient use of CUDA libraries is proposed for acceleration of tridiagonal matrix inversion and fast Fourier transform. OpenMP is employed for concurrent collection of turbulence statistics on a CPU while the Navier-Stokes equations are computed on a GPU. Performance of the present method using CUDA is assessed by comparing the speed of solving three tridiagonal matrices using ADI with the speed of solving one heptadiagonal matrix using a conjugate gradient method. An overall speedup of 20 times is achieved using a Tesla K40 GPU in comparison with a single-core Xeon E5-2660 v3 CPU in simulations of turbulent boundary-layer flow over a flat plate conducted on over 134 million grids. Enhanced performance of 48 times speedup is reached for the same problem using a Tesla P100 GPU.

  11. A simplified gross thrust computing technique for an afterburning turbofan engine

    NASA Technical Reports Server (NTRS)

    Hamer, M. J.; Kurtenbach, F. J.

    1978-01-01

    A simplified gross thrust computing technique extended to the F100-PW-100 afterburning turbofan engine is described. The technique uses measured total and static pressures in the engine tailpipe and ambient static pressure to compute gross thrust. Empirically evaluated calibration factors account for three-dimensional effects, the effects of friction and mass transfer, and the effects of simplifying assumptions for solving the equations. Instrumentation requirements and the sensitivity of computed thrust to transducer errors are presented. NASA altitude facility tests on F100 engines (computed thrust versus measured thrust) are presented, and calibration factors obtained on one engine are shown to be applicable to the second engine by comparing the computed gross thrust. It is concluded that this thrust method is potentially suitable for flight test application and engine maintenance on production engines with a minimum amount of instrumentation.

  12. Scalable Parameter Estimation for Genome-Scale Biochemical Reaction Networks

    PubMed Central

    Kaltenbacher, Barbara; Hasenauer, Jan

    2017-01-01

    Mechanistic mathematical modeling of biochemical reaction networks using ordinary differential equation (ODE) models has improved our understanding of small- and medium-scale biological processes. While the same should in principle hold for large- and genome-scale processes, the computational methods for the analysis of ODE models which describe hundreds or thousands of biochemical species and reactions are missing so far. While individual simulations are feasible, the inference of the model parameters from experimental data is computationally too intensive. In this manuscript, we evaluate adjoint sensitivity analysis for parameter estimation in large scale biochemical reaction networks. We present the approach for time-discrete measurement and compare it to state-of-the-art methods used in systems and computational biology. Our comparison reveals a significantly improved computational efficiency and a superior scalability of adjoint sensitivity analysis. The computational complexity is effectively independent of the number of parameters, enabling the analysis of large- and genome-scale models. Our study of a comprehensive kinetic model of ErbB signaling shows that parameter estimation using adjoint sensitivity analysis requires a fraction of the computation time of established methods. The proposed method will facilitate mechanistic modeling of genome-scale cellular processes, as required in the age of omics. PMID:28114351

  13. The Power of Computer-aided Tomography to Investigate Marine Benthic Communities

    EPA Science Inventory

    Utilization of Computer-aided-Tomography (CT) technology is a powerful tool to investigate benthic communities in aquatic systems. In this presentation, we will attempt to summarize our 15 years of experience in developing specific CT methods and applications to marine benthic co...

  14. A deconvolution extraction method for 2D multi-object fibre spectroscopy based on the regularized least-squares QR-factorization algorithm

    NASA Astrophysics Data System (ADS)

    Yu, Jian; Yin, Qian; Guo, Ping; Luo, A.-li

    2014-09-01

    This paper presents an efficient method for the extraction of astronomical spectra from two-dimensional (2D) multifibre spectrographs based on the regularized least-squares QR-factorization (LSQR) algorithm. We address two issues: we propose a modified Gaussian point spread function (PSF) for modelling the 2D PSF from multi-emission-line gas-discharge lamp images (arc images), and we develop an efficient deconvolution method to extract spectra in real circumstances. The proposed modified 2D Gaussian PSF model can fit various types of 2D PSFs, including different radial distortion angles and ellipticities. We adopt the regularized LSQR algorithm to solve the sparse linear equations constructed from the sparse convolution matrix, which we designate the deconvolution spectrum extraction method. Furthermore, we implement a parallelized LSQR algorithm based on graphics processing unit programming in the Compute Unified Device Architecture to accelerate the computational processing. Experimental results illustrate that the proposed extraction method can greatly reduce the computational cost and memory use of the deconvolution method and, consequently, increase its efficiency and practicability. In addition, the proposed extraction method has a stronger noise tolerance than other methods, such as the boxcar (aperture) extraction and profile extraction methods. Finally, we present an analysis of the sensitivity of the extraction results to the radius and full width at half-maximum of the 2D PSF.

  15. Spatial Statistics for Tumor Cell Counting and Classification

    NASA Astrophysics Data System (ADS)

    Wirjadi, Oliver; Kim, Yoo-Jin; Breuel, Thomas

    To count and classify cells in histological sections is a standard task in histology. One example is the grading of meningiomas, benign tumors of the meninges, which requires to assess the fraction of proliferating cells in an image. As this process is very time consuming when performed manually, automation is required. To address such problems, we propose a novel application of Markov point process methods in computer vision, leading to algorithms for computing the locations of circular objects in images. In contrast to previous algorithms using such spatial statistics methods in image analysis, the present one is fully trainable. This is achieved by combining point process methods with statistical classifiers. Using simulated data, the method proposed in this paper will be shown to be more accurate and more robust to noise than standard image processing methods. On the publicly available SIMCEP benchmark for cell image analysis algorithms, the cell count performance of the present paper is significantly more accurate than results published elsewhere, especially when cells form dense clusters. Furthermore, the proposed system performs as well as a state-of-the-art algorithm for the computer-aided histological grading of meningiomas when combined with a simple k-nearest neighbor classifier for identifying proliferating cells.

  16. X-ray computed tomography using curvelet sparse regularization.

    PubMed

    Wieczorek, Matthias; Frikel, Jürgen; Vogel, Jakob; Eggl, Elena; Kopp, Felix; Noël, Peter B; Pfeiffer, Franz; Demaret, Laurent; Lasser, Tobias

    2015-04-01

    Reconstruction of x-ray computed tomography (CT) data remains a mathematically challenging problem in medical imaging. Complementing the standard analytical reconstruction methods, sparse regularization is growing in importance, as it allows inclusion of prior knowledge. The paper presents a method for sparse regularization based on the curvelet frame for the application to iterative reconstruction in x-ray computed tomography. In this work, the authors present an iterative reconstruction approach based on the alternating direction method of multipliers using curvelet sparse regularization. Evaluation of the method is performed on a specifically crafted numerical phantom dataset to highlight the method's strengths. Additional evaluation is performed on two real datasets from commercial scanners with different noise characteristics, a clinical bone sample acquired in a micro-CT and a human abdomen scanned in a diagnostic CT. The results clearly illustrate that curvelet sparse regularization has characteristic strengths. In particular, it improves the restoration and resolution of highly directional, high contrast features with smooth contrast variations. The authors also compare this approach to the popular technique of total variation and to traditional filtered backprojection. The authors conclude that curvelet sparse regularization is able to improve reconstruction quality by reducing noise while preserving highly directional features.

  17. A fully parallel in time and space algorithm for simulating the electrical activity of a neural tissue.

    PubMed

    Bedez, Mathieu; Belhachmi, Zakaria; Haeberlé, Olivier; Greget, Renaud; Moussaoui, Saliha; Bouteiller, Jean-Marie; Bischoff, Serge

    2016-01-15

    The resolution of a model describing the electrical activity of neural tissue and its propagation within this tissue is highly consuming in term of computing time and requires strong computing power to achieve good results. In this study, we present a method to solve a model describing the electrical propagation in neuronal tissue, using parareal algorithm, coupling with parallelization space using CUDA in graphical processing unit (GPU). We applied the method of resolution to different dimensions of the geometry of our model (1-D, 2-D and 3-D). The GPU results are compared with simulations from a multi-core processor cluster, using message-passing interface (MPI), where the spatial scale was parallelized in order to reach a comparable calculation time than that of the presented method using GPU. A gain of a factor 100 in term of computational time between sequential results and those obtained using the GPU has been obtained, in the case of 3-D geometry. Given the structure of the GPU, this factor increases according to the fineness of the geometry used in the computation. To the best of our knowledge, it is the first time such a method is used, even in the case of neuroscience. Parallelization time coupled with GPU parallelization space allows for drastically reducing computational time with a fine resolution of the model describing the propagation of the electrical signal in a neuronal tissue. Copyright © 2015 Elsevier B.V. All rights reserved.

  18. A Multifunctional Interface Method for Coupling Finite Element and Finite Difference Methods: Two-Dimensional Scalar-Field Problems

    NASA Technical Reports Server (NTRS)

    Ransom, Jonathan B.

    2002-01-01

    A multifunctional interface method with capabilities for variable-fidelity modeling and multiple method analysis is presented. The methodology provides an effective capability by which domains with diverse idealizations can be modeled independently to exploit the advantages of one approach over another. The multifunctional method is used to couple independently discretized subdomains, and it is used to couple the finite element and the finite difference methods. The method is based on a weighted residual variational method and is presented for two-dimensional scalar-field problems. A verification test problem and a benchmark application are presented, and the computational implications are discussed.

  19. An investigation of several numerical procedures for time-asymptotic compressible Navier-Stokes solutions

    NASA Technical Reports Server (NTRS)

    Rudy, D. H.; Morris, D. J.; Blanchard, D. K.; Cooke, C. H.; Rubin, S. G.

    1975-01-01

    The status of an investigation of four numerical techniques for the time-dependent compressible Navier-Stokes equations is presented. Results for free shear layer calculations in the Reynolds number range from 1000 to 81000 indicate that a sequential alternating-direction implicit (ADI) finite-difference procedure requires longer computing times to reach steady state than a low-storage hopscotch finite-difference procedure. A finite-element method with cubic approximating functions was found to require excessive computer storage and computation times. A fourth method, an alternating-direction cubic spline technique which is still being tested, is also described.

  20. Rotational relaxation of molecular hydrogen at moderate temperatures

    NASA Technical Reports Server (NTRS)

    Sharma, S. P.

    1994-01-01

    Using a coupled rotation-vibration-dissociation model the rotational relaxation times for molecular hydrogen as a function of final temperature (500-5000 K), in a hypothetical scenario of sudden compression, are computed. The theoretical model is based on a master equation solver. The bound-bound and bound-free transition rates have been computed using a quasiclassical trajectory method. A review of the available experimental data on the rotational relaxation of hydrogen is presented, with a critical overview of the method of measurements and data reduction, including the sources of errors. These experimental data are then compared with the computed results.

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