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At least 235 records · Page 13

Stability and transition on swept wings

This paper describes the extension and application of the Parabolized Stability Equations (PSE) to the stability and transition of the supersonic three-dimensional laminar boundary layer on a swept wing. The problem formulation uses a general coordinate transformation for arbitrary curvilinear body-fitted computational grids. Some testing using these coordinates is briefly described to help validate the software used for the investigation. The disturbance amplitude ratios as a function of chord position for supersonic (Mach 1.5) boundary layers on untapered, untwisted wings of different sweep angles are then presented and compared with those obtained from local parallel analyses.

Stuckert, Greg↗

General field evaluation in high-order meshes on GPUs

Robust and scalable function evaluation at any arbitrary point in the finite/spectral element mesh is required for querying the partial differential equation solution at points of interest, comparison of solution between different meshes, and Lagrangian particle tracking. This is a challenging problem, particularly for high-order unstructured meshes partitioned in parallel with MPI, as it requires identifying the element that overlaps a given point and computing the corresponding reference space coordinates. Here, we present a robust and efficient technique for general field evaluation in large-scale high-order meshes with quadrilaterals and hexahedra. In the proposed method, a combination of globally partitioned and processor-local maps are used to first determine a list of candidate MPI ranks, and then locally candidate elements that could contain a given point. Next, element-wise bounding boxes further reduce the list of candidate elements. Finally, Newton’s method with trust region is used to determine the overlapping element and corresponding reference space coordinates. Since GPU-based architectures have become popular for accelerating computational analyses using meshes with tensor-product elements, specialized kernels have been developed to utilize the proposed methodology on GPUs. The method is also extended to enable general field evaluation on surface meshes. The paper concludes by demonstrating the use of the proposed method in various applications ranging from mesh-to-mesh transfer during r-adaptivity to Lagrangian particle tracking.

97 MATHEMATICS AND COMPUTING↗

Mariner 9 control net of Mars, April 1973

A planet-wide geodetic control net of Mars that is based on the Mariner 9 television pictures has been in the process of being computed since January 1972. Results of the computations as of April 1973 are presented. Areocentric and areographic coordinates of 1340 control points have been computed using 613 frames and are presented tabularly. These coordinates will be revised as additional points and frames are added to the computation in the future.

Davis, M. E.↗

Domain decomposition methods for the parallel computation of reacting flows

Domain decomposition is a natural route to parallel computing for partial differential equation solvers. Subdomains of which the original domain of definition is comprised are assigned to independent processors at the price of periodic coordination between processors to compute global parameters and maintain the requisite degree of continuity of the solution at the subdomain interfaces. In the domain-decomposed solution of steady multidimensional systems of PDEs by finite difference methods using a pseudo-transient version of Newton iteration, the only portion of the computation which generally stands in the way of efficient parallelization is the solution of the large, sparse linear systems arising at each Newton step. For some Jacobian matrices drawn from an actual two-dimensional reacting flow problem, comparisons are made between relaxation-based linear solvers and also preconditioned iterative methods of Conjugate Gradient and Chebyshev type, focusing attention on both iteration count and global inner product count. The generalized minimum residual method with block-ILU preconditioning is judged the best serial method among those considered, and parallel numerical experiments on the Encore Multimax demonstrate for it approximately 10-fold speedup on 16 processors.

Keyes, David E.↗

Coordinate-based simulation of pair distance distribution functions for small and large molecular assemblies: implementation and applications

X-ray scattering has become a major tool in the structural characterization of nanoscale materials. Thanks to the widely available experimental and computational atomic models, coordinate-based X-ray scattering simulation has played a crucial role in data interpretation in the past two decades. However, simulation of real-space pair distance distribution functions (PDDFs) from small- and wide-angle X-ray scattering, SAXS/WAXS, has been relatively less exploited. This study presents a comparison of PDDF simulation methods, which are applied to molecular structures that range in size from β-cyclodextrin [1 kDa molecular weight (MW), 66 non-hydrogen atoms] to the satellite tobacco mosaic virus capsid (1.1 MDa MW, 81 960 non-hydrogen atoms). The results demonstrate the power of interpretation of experimental SAXS/WAXS from the real-space view, particularly by providing a more intuitive method for understanding of partial structure contributions. Furthermore, the computational efficiency of PDDF simulation algorithms makes them attractive as approaches for the analysis of large nanoscale materials and biological assemblies. The simulation methods demonstrated in this article have been implemented in stand-alone software, SolX 3.0 , which is available to download from https://12idb.xray.aps.anl.gov/solx.html.

Zuo, Xiaobing (ORCID:0000000201344804)↗

Tracking algorithms using log-polar mapped image coordinates

The use of log-polar image sampling coordinates rather than conventional Cartesian coordinates offers a number of advantages for visual tracking and docking of space vehicles. Pixel count is reduced without decreasing the field of view, with commensurate reduction in peripheral resolution. Smaller memory requirements and reduced processing loads are the benefits in working environments where bulk and energy are at a premium. Rotational and zoom symmetries of log-polar coordinates accommodate range and orientation extremes without computational penalties. Separation of radial and rotational coordinates reduces the complexity of several target centering algorithms, described below.

Weiman, Carl F. R.↗

PROTEUS two-dimensional Navier-Stokes computer code, version 1.0. Volume 2: User's guide

A new computer code was developed to solve the two-dimensional or axisymmetric, Reynolds averaged, unsteady compressible Navier-Stokes equations in strong conservation law form. The thin-layer or Euler equations may also be solved. Turbulence is modeled using an algebraic eddy viscosity model. The objective was to develop a code for aerospace applications that is easy to use and easy to modify. Code readability, modularity, and documentation were emphasized. The equations are written in nonorthogonal body-fitted coordinates, and solved by marching in time using a fully-coupled alternating direction-implicit procedure with generalized first- or second-order time differencing. All terms are linearized using second-order Taylor series. The boundary conditions are treated implicitly, and may be steady, unsteady, or spatially periodic. Simple Cartesian or polar grids may be generated internally by the program. More complex geometries require an externally generated computational coordinate system. The documentation is divided into three volumes. Volume 2 is the User's Guide, and describes the program's general features, the input and output, the procedure for setting up initial conditions, the computer resource requirements, the diagnostic messages that may be generated, the job control language used to run the program, and several test cases.

Towne, Charles E.↗

Real-time detection and data acquisition system for the left ventricular outline

To automate the data acquisition procedure, a real-time contour detection and data acquisition system for the left ventricular outline was developed using video techniques. The X-ray image of the contrast-filled left ventricle is stored for subsequent processing on film (cineangiogram), video tape or disc. The cineangiogram is converted into video format using a television camera. The video signal from either the TV camera, video tape or disc is the input signal to the system. The contour detection is based on a dynamic thresholding technique. Since the left ventricular outline is a smooth continuous function, for each contour side a narrow expectation window is defined in which the next borderpoint will be detected. A computer interface was designed and built for the online acquisition of the coordinates using a PDP-12 computer. The advantage of this system over other available systems is its potential for online, real-time acquisition of the left ventricular size and shape during angiocardiography.

Reiber, J. H. C.↗

Comparison of coordinate-invariant and coordinate-aligned upwinding for the Euler equations

A floating-shock fitting method for the Euler equations has been developed that uses one-sided spatial differences along and across streamlines. The coordinate-invariant formulation of the spatial differences permits automatic capture of shears. Results are presented for unsteady shocked flow in a duct with a ramp, for supercritical flow over a circular cylinder, and for subsonic, transonic, and supersonic (0.3 is less than or equal to M(sub infinity) is less than 1.5) flow over airfoils. In flows with strong shears, the coordinate-invariant differencing concept appears to yield some gains in accuracy over Euler methods that rely on coordinate-aligned differencing concepts. In applications to transonic airfoils, fitted shocks have a tendency to be predicted upstream of captured shocks, regardless of whether coordinate-invariant or coordinate-aligned differencing is used. The coordinate-invariant differencing method requires between 2 and 3.5 times as much computing time as its coordinate-aligned counterpart.

Hartwich, Peter M.↗

3-D sensing with polar exponential sensor arrays

The present computations for three-dimensional vision involve, in such cases as those of scaling for perspective and optic flow, their reduction to additive operations by the implicit logarithmic transformation of image coordinates. Expressions for such computations are derived and applied to illustrative examples of sensor design. The advantages of polar exponential arrays over X-Y rasters for binocular vision are noted to encompass the inference of range and three-dimensional position from local image velocity without knowledge of pixel location, provided that the relative velocity of the target and sensor are known by some other means.

Weiman, Carl F. R.↗

Minimizing the RMS surface distortions from gravity loadings of the 34-m HA-DEC antenna for deep space missions

The computer analysis of the 34-m HA-DEC antenna by the IDEAS program provided the rms distortions of the surface panels support points for full gravity loadings in the three directions of the basic coordinate system of the computer model. The rms distortions for the gravity vector not in line with any of the three basic directions were solved and contour plotted starting from three surface panels setting declination angle. By inspections of the plots, it was concluded that the setting or rigging angle of -15 degrees declination minimized the rms distortions for sky coverage of plus or minus 22 declination angles to 10 degrees of ground mask.

Katow, S. M.↗

PROTEUS two-dimensional Navier-Stokes computer code, version 1.0. Volume 1: Analysis description

A new computer code was developed to solve the two-dimensional or axisymmetric, Reynolds averaged, unsteady compressible Navier-Stokes equations in strong conservation law form. The thin-layer or Euler equations may also be solved. Turbulence is modeled using an algebraic eddy viscosity model. The objective was to develop a code for aerospace applications that is easy to use and easy to modify. Code readability, modularity, and documentation were emphasized. The equations are written in nonorthogonal body-fitted coordinates, and solved by marching in time using a fully-coupled alternating direction-implicit procedure with generalized first- or second-order time differencing. All terms are linearized using second-order Taylor series. The boundary conditions are treated implicitly, and may be steady, unsteady, or spatially periodic. Simple Cartesian or polar grids may be generated internally by the program. More complex geometries require an externally generated computational coordinate system. The documentation is divided into three volumes. Volume 1 is the Analysis Description, and describes in detail the governing equations, the turbulence model, the linearization of the equations and boundary conditions, the time and space differencing formulas, the ADI solution procedure, and the artificial viscosity models.

Towne, Charles E.↗

PROTEUS two-dimensional Navier-Stokes computer code, version 1.0. Volume 3: Programmer's reference

A new computer code was developed to solve the 2-D or axisymmetric, Reynolds-averaged, unsteady compressible Navier-Stokes equations in strong conservation law form. The thin-layer or Euler equations may also be solved. Turbulence is modeled using an algebraic eddy viscosity model. The objective was to develop a code for aerospace applications that is easy to use and easy to modify. Code readability, modularity, and documentation were emphasized. The equations are written in nonorthogonal body-fitted coordinates, and solved by marching in time using a fully-coupled alternating-direction-implicit procedure with generalized first- or second-order time differencing. All terms are linearized using second-order Taylor series. The boundary conditions are treated implicitly, and may be steady, unsteady, or spatially periodic. Simple Cartesian or polar grids may be generated internally by the program. More complex geometries require an externally generated computational coordinate system. The documentation is divided into three volumes. Volume 3 is the Programmer's Reference, and describes the program structure, the FORTRAN variables stored in common blocks, and the details of each subprogram.

Towne, Charles E.↗

Non-adiabatic quantum interference and complex formation in ultracold collisions of Rb with KRb

Ultracold elastic collisions of 87 Rb with 40 K 87 Rb in its ground vibrational and rotational state are investigated using a first principles based theoretical methodology. Full-dimensional ab initio computed potential energy surfaces are reported that include the two lowest-lying electronic states, their conical intersection, non-adiabatic couplings and an accurate long-range behavior. A numerically exact time-independent quantum dynamics method in hyperspherical coordinates is used to compute the elastic scattering cross sections, rate coefficients and collision lifetime spectrum. The quantum scattering calculations include all degrees of freedom and treat both electronic states and their non-adiabatic couplings using a two-state diabatic representation. The theoretically computed elastic rate coefficient is in good agreement with the recently reported experimental value. Significant non-adiabatic quantum interference effects are shown to originate from the unique properties of ultracold collisions and the geometric phase associated with the conical intersection. A high-resolution collision energy grid is used to investigate the origin of the experimentally reported long-lived 3-body collision complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An adaptive pseudospectral method for discontinuous problems

The accuracy of adaptively chosen, mapped polynomial approximations is studied for functions with steep gradients or discontinuities. It is shown that, for steep gradient functions, one can obtain spectral accuracy in the original coordinate system by using polynomial approximations in a transformed coordinate system with substantially fewer collocation points than are necessary using polynomial expansion directly in the original, physical, coordinate system. It is also shown that one can avoid the usual Gibbs oscillation associated with steep gradient solutions of hyperbolic pde's by approximation in suitably chosen coordinate systems. Continuous, high gradient solutions are computed with spectral accuracy (as measured in the physical coordinate system). Discontinuous solutions associated with nonlinear hyperbolic equations can be accurately computed by using an artificial viscosity chosen to smooth out the solution in the mapped, computational domain. Thus, shocks can be effectively resolved on a scale that is subgrid to the resolution available with collocation only in the physical domain. Examples with Fourier and Chebyshev collocation are given.

Augenbaum, Jeffrey M.↗

An adaptive pseudospectral method for discontinuous problems

The accuracy of adaptively chosen, mapped polynomial approximations is studied for functions with steep gradients or discontinuities. It is shown that, for steep gradient functions, one can obtain spectral accuracy in the original coordinate system by using polynomial approximations in a transformed coordinate system with substantially fewer collocation points than are necessary using polynomial expansion directly in the original, physical, coordinate system. It is also shown that one can avoid the usual Gibbs oscillation associated with steep gradient solutions of hyperbolic pde's by approximation in suitably chosen coordinate systems. Continuous, high gradient solutions are computed with spectral accuracy (as measured in the physical coordinate system). Discontinuous solutions associated with nonlinear hyperbolic equations can be accurately computed by using an artificial viscosity chosen to smooth out the solution in the mapped, computational domain. Thus, shocks can be effectively resolved on a scale that is subgrid to the resolution available with collocation only in the physical domain. Examples with Fourier and Chebyshev collocation are given.

Augenbaum, J. M.↗

Real-time neuromorphic algorithms for inverse kinematics of redundant manipulators

The paper presents an efficient neuromorphic formulation to accurately solve the inverse kinematics problem for redundant manipulators. The approach involves a dynamical learning procedure based on a novel formalism in neural network theory: the concept of 'terminal' attractors. Topographically mapped terminal attractors are used to define a neural network whose synaptic elements can rapidly encapture the inverse kinematics transformations, and, subsequently generalize to compute joint-space coordinates required to achieve arbitrary end-effector configurations. Unlike prior neuromorphic implementations, this technique can also systematically exploit redundancy to optimize kinematic criteria, e.g., torque optimization. Simulations on 3-DOF and 7-DOF redundant manipulators, are used to validate the theoretical framework and illustrate its computational efficacy.

Barhen, Jacob↗