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“Frameworks, Algorithms and Scalable Technologies for Mathematics (FASTMath) SciDAC Institute” (Final Technical Report)

SMU personnel formed a portion of the overall “Time Integration” team within the FASTMath SciDAC-5 Institute, and we interacted very closely with team members from collaborating institutions. The major goals of our team within the FASTMath institute may be categorized into two groups: the development of advanced and application-aware time integration methods and software, and close interactions with DOE application scientists to facilitate their use of these new methods and software. The two goals are intimately linked, since our research and development of novel tools is informed by the needs of our application partners, who in turn benefit from subsequent mathematical and software advances. While the SMU personnel collaborated with the rest of the Time Integration FASTMath team on most of our shared deliverables within the larger FASTMath institute, SMU personnel primarily contributed to the following subset of those goals: ● expanding capabilities for higher-order and solve-decoupled multirate methods, ● enhancing support for temporal adaptivity within multirate methods, and ● adding structure-aware time integration methods. Each of these goals focused both on intellectual contributions through journal articles or research presentations, and on enhancements to the open-source SUNDIALS library of time integrators and nonlinear solvers, of which the SMU PI Reynolds is a core developer.

97 MATHEMATICS AND COMPUTING

Transient finite element computations on the transputer system

The aim was to study the solution of transient finite element problems on the Transputer system of parallel processors. The central difference time integration rule was used so that no equation solving was necessary. Also investigated was subcycling time integration which uses different time steps in different subdomains of the finite element mesh. A one-dimensional bar problem was analyzed using the parallel time integration algorithm. This involves subdividing the bar into subproblems which are assigned to different processors. Results show that the significant speed-up can be obtained through parallel processing. Also subcycling can give an additional speed-up in certain classes of problems. A two-dimensional problem was also examined to evaluate the effect of the communication to computation ratio on solution time.

Smolinski, Patrick J.

Image sensor with high dynamic range linear output

Designs and operational methods to increase the dynamic range of image sensors and APS devices in particular by achieving more than one integration times for each pixel thereof. An APS system with more than one column-parallel signal chains for readout are described for maintaining a high frame rate in readout. Each active pixel is sampled for multiple times during a single frame readout, thus resulting in multiple integration times. The operation methods can also be used to obtain multiple integration times for each pixel with an APS design having a single column-parallel signal chain for readout. Furthermore, analog-to-digital conversion of high speed and high resolution can be implemented.

Yadid-Pecht, Orly

Efficient and Accurate Explicit Integration Algorithms with Application to Viscoplastic Models

Several explicit integration algorithms with self-adative time integration strategies are developed and investigated for efficiency and accuracy. These algorithms involve the Runge-Kutta second order, the lower Runge-Kutta method of orders one and two, and the exponential integration method. The algorithms are applied to viscoplastic models put forth by Freed and Verrilli and Bodner and Partom for thermal/mechanical loadings (including tensile, relaxation, and cyclic loadings). The large amount of computations performed showed that, for comparable accuracy, the efficiency of an integration algorithm depends significantly on the type of application (loading). However, in general, for the aforementioned loadings and viscoplastic models, the exponential integration algorithm with the proposed self-adaptive time integration strategy worked more (or comparably) efficiently and accurately than the other integration algorithms. Using this strategy for integrating viscoplastic models may lead to considerable savings in computer time (better efficiency) without adversely affecting the accuracy of the results. This conclusion should encourage the utilization of viscoplastic models in the stress analysis and design of structural components.

Arya, Vinod K.

Fermi/GBM Observations of SGRJ0501 + 4516 Bursts

We present our temporal and spectral analyses of 29 bursts from SGRJ0501+4516, detected with the Gamma-ray Burst Monitor onboard the Fermi Gamma-ray Space Telescope during the 13 days of the source activation in 2008 (August 22 to September 3). We find that the T(sub 90) durations of the bursts can be fit with a log-normal distribution with a mean value of approx. 123 ms. We also estimate for the first time event durations of Soft Gamma Repeater (SGR) bursts in photon space (i.e., using their deconvolved spectra) and find that these are very similar to the T(sub 90)s estimated in count space (following a log-normal distribution with a mean value of approx. 124 ms). We fit the time-integrated spectra for each burst and the time-resolved spectra of the five brightest bursts with several models. We find that a single power law with an exponential cutoff model fits all 29 bursts well, while 18 of the events can also be fit with two black body functions. We expand on the physical interpretation of these two models and we compare their parameters and discuss their evolution. We show that the time-integrated and time-resolved spectra reveal that E(sub peak) decreases with energy flux (and fluence) to a minimum of approx. 30 keV at F = 8.7 x 10(exp -6)erg/sq cm/s, increasing steadily afterwards. Two more sources exhibit a similar trend: SGRs J1550 - 5418 and 1806 - 20. The isotropic luminosity, L(sub iso), corresponding to these flux values is roughly similar for all sources (0.4 - l.5 x 10(exp 40) erg/s.

Lin, Lin

ORMATEX

The Oak Ridge Matrix Exponential (ORMATEX) software library contains methods to compute the matrix exponential and the action of the matrix exponential on a vector. Additionally, this package contains the related methods for the phi-functions which commonly appear in a wide class of exponential time integration methods. Krylov methods are provided to evaluate the matrix exponential-vector and phi-vector products for cases where the matrix is large and sparse. Utilizing these methods, ORMATEX implements performant exponential integrators for large systems of coupled ordinary differential equations (ODEs). The exponential time integration routines in ORMATEX are particularly suitable to large, stiff systems of equations. These routines may be utilized as a competitive alternative to classical implicit and explicit time integration schemes for certain classes of differential equations where the problem stiffness can be predominately explained by the linear terms.

Gurecky, William [Oak Ridge National Laboratory (O

Computation of unsteady transonic flows by the indicial method

The indicial method is investigated for the computation of unsteady transonic force and moment coefficients for use in flutter analyses. This approach has the advantage that solutions for all reduced frequencies for a given mode of motion can be obtained from a single finite-difference flowfield computation. Comparisons of indicial and time-integration computations for oscillating airfoil and flap motions help define limits on the motion amplitude for the applicability of the indicial method to transonic flows. Within these limits, solutions for various motion modes can be superposed to obtain solutions for multiple-degree-of-freedom aeroelastic systems. Also, a simple aeroelastic problem is solved by an alternative approach in which the structural motion and flowfield equations are integrated simultaneously using a time-integration finite-difference procedure.

Ballhaus, W. F.

Development of the US3D Code for Advanced Compressible and Reacting Flow Simulations

Aerothermodynamics and hypersonic flows involve complex multi-disciplinary physics, including finite-rate gas-phase kinetics, finite-rate internal energy relaxation, gas-surface interactions with finite-rate oxidation and sublimation, transition to turbulence, large-scale unsteadiness, shock-boundary layer interactions, fluid-structure interactions, and thermal protection system ablation and thermal response. Many of the flows have a large range of length and time scales, requiring large computational grids, implicit time integration, and large solution run times. The University of Minnesota NASA US3D code was designed for the simulation of these complex, highly-coupled flows. It has many of the features of the well-established DPLR code, but uses unstructured grids and has many advanced numerical capabilities and physical models for multi-physics problems. The main capabilities of the code are described, the physical modeling approaches are discussed, the different types of numerical flux functions and time integration approaches are outlined, and the parallelization strategy is overviewed. Comparisons between US3D and the NASA DPLR code are presented, and several advanced simulations are presented to illustrate some of novel features of the code.

CFD

Rain rate and modeled fade distributions at 20 GHz and 30 GHz derived from five years of network rain gauge measurements

Five years of rain rate and modeled slant path attenuation distributions at 20 GHz and 30 GHz derived from a network of 10 tipping bucket rain gages was examined. The rain gage network is located within a grid 70 km north-south and 47 km east-west in the Mid-Atlantic coast of the United States in the vicinity of Wallops Island, Virginia. Distributions were derived from the variable integration time data and from one minute averages. It was demonstrated that for realistic fade margins, the variable integration time results are adequate to estimate slant path attenuations at frequencies above 20 GHz using models which require one minute averages. An accurate empirical formula was developed to convert the variable integration time rain rates to one minute averages. Fade distributions at 20 GHz and 30 GHz were derived employing Crane's Global model because it was demonstrated to exhibit excellent accuracy with measured COMSTAR fades at 28.56 GHz.

Goldhirsh, Julius

Optical detection of large meteoroids in space

CCD sensors placed across the focal plane of large Schmidt telescopes have great potential for detecting and measuring the very low flux in space of meteoroids with diameters larger than 1 meter. With the Palomar 'Big Schmidt', a detection rate of 1.4 per hour is obtained for meteoroids between 0.6 and 200 meters in diameter. For the Baker-Nunn 'Satellite Tracking Camera', the corresponding rate is about 0.8 per hour. The key to obtaining such high detection rates derives from approximately setting the sensor integration time equal to the time it takes a meteoroid to cross a pixel field of view. This minimizes signal to noise problems and is accomplished, in practice, by multiple summing of short integration time data records to obtain data records of longer effective integration times.

Zook, H. A.

Design Data Collection with Skylab Microwave Radiometer-Scatterometer S-193, Volume 1

The author has identified the following significant results. Observations with S-193 have provided radar design information for systems to be flown on spacecraft, but only at 13.9 GHz and for land areas over the United States and Brazil plus a few other areas of the world for which this kind of analysis was not made. Observations only extended out to about 50 deg angle of incidence. The value of a sensor with such a gross resolution for most overland resource and status monitoring systems seems marginal, with the possible exception of monitoring soil moisture and major vegetation variations. The complementary nature of the scatterometer and radiometer systems was demonstrated by the correlation analysis. Although radiometers must have spatial resolutions dictated by antenna size, radars can use synthetic aperture techniques to achieve much finer resolutions. Multiplicity of modes in the S-193 sensors complicated both the system development and its employment. An attempt was made in the design of the S-193 to arrange optimum integration times for each angle and type of measurement. This unnecessarily complicated the design of the instrument, since the gains in precision achieved in this way were marginal. Either a software-controllable integration time or a set of only two or three integration times would have been better.

Moore, R. K.

Photon statistical limitations for daytime optical tracking

Tracking of interplanetary spacecraft equipped with optical communication systems by using astrometric instruments is being investigated by JPL. Existing instruments are designed to work at night and, for bright sources, are limited by tropospheric errors. To provide full coverage of the solar system, astrometric tracking instruments must either be capable of daytime operation or be space-based. The integration times necessary for the ground-based daytime photon statistical errors to reach a given accuracy level (5 to 50 nanoradians) were computed for an ideal astrometric instrument. The required photon statistical integration times are found to be shorter than the tropospheric integrations times for the ideal detector. Since the astrometric need not be limited by photon statistics even under daytime conditions, it may be fruitful to investigate instruments for daytime optical tracking.

Folkner, W. M.

Characterizing Rocky and Gaseous Exoplanets with 2 m Class Space-based Coronagraphs

Several concepts now exist for small, space-based missions to directly characterize exoplanets in reflected light. While studies have been performed that investigate the potential detection yields of such missions, little work has been done to understand how instrumental and astrophysical parameters will affect the ability of these missions to obtain spectra that are useful for characterizing their planetary targets. Here, we develop an instrument noise model suitable for studying the spectral characterization potential of a coronagraph-equipped, space-based telescope. We adopt a baseline set of telescope and instrument parameters appropriate for near-future planned missions like WFIRST-AFTA, including a 2 m diameter primary aperture, an operational wavelength range of 0.4–1.0 μm, and an instrument spectral resolution of λ/Δλ =70, and apply our baseline model to a variety of spectral models of different planet types, including Earth twins, Jupiter twins, and warm and cool Jupiters and Neptunes. With our exoplanet spectral models, we explore wavelength-dependent planet–star flux ratios for main-sequence stars of various effective temperatures and discuss how coronagraph inner and outer working angle constraints will influence the potential to study different types of planets. For planets most favorable to spectroscopic characterization—cool Jupiters and Neptunes as well as nearby super-Earths—we study the integration times required to achieve moderate signal-to-noise ratio spectra. We also explore the sensitivity of the integration times required to either detect the bottom or presence of key absorption bands (for methane, water vapor, and molecular oxygen) to coronagraph raw contrast performance, exozodiacal light levels, and the distance to the planetary system. Decreasing detector quantum efficiency at longer visible wavelengths makes the detection of water vapor in the atmospheres of Earth-like planets extremely challenging, and also hinders detections of the 0.89 μm methane band. Additionally, most modeled observations have noise dominated by dark currents, indicating that improving CCD performance could substantially drive down requisite integration times. Finally, we briefly discuss the extension of our models to a more distant future Large UV-Optical-InfraRed (LUVOIR) mission.

Astrobiology

Adaptive Numerical Algorithms in Space Weather Modeling

Space weather describes the various processes in the Sun-Earth system that present danger to human health and technology. The goal of space weather forecasting is to provide an opportunity to mitigate these negative effects. Physics-based space weather modeling is characterized by disparate temporal and spatial scales as well as by different physics in different domains. A multi-physics system can be modeled by a software framework comprising of several components. Each component corresponds to a physics domain, and each component is represented by one or more numerical models. The publicly available Space Weather Modeling Framework (SWMF) can execute and couple together several components distributed over a parallel machine in a flexible and efficient manner. The framework also allows resolving disparate spatial and temporal scales with independent spatial and temporal discretizations in the various models. Several of the computationally most expensive domains of the framework are modeled by the Block-Adaptive Tree Solar wind Roe Upwind Scheme (BATS-R-US) code that can solve various forms of the magnetohydrodynamics (MHD) equations, including Hall, semi-relativistic, multi-species and multi-fluid MHD, anisotropic pressure, radiative transport and heat conduction. Modeling disparate scales within BATS-R-US is achieved by a block-adaptive mesh both in Cartesian and generalized coordinates. Most recently we have created a new core for BATS-R-US: the Block-Adaptive Tree Library (BATL) that provides a general toolkit for creating, load balancing and message passing in a 1, 2 or 3 dimensional block-adaptive grid. We describe the algorithms of BATL and demonstrate its efficiency and scaling properties for various problems. BATS-R-US uses several time-integration schemes to address multiple time-scales: explicit time stepping with fixed or local time steps, partially steady-state evolution, point-implicit, semi-implicit, explicit/implicit, and fully implicit numerical schemes. Depending on the application, we find that different time stepping methods are optimal. Several of the time integration schemes exploit the block-based granularity of the grid structure. The framework and the adaptive algorithms enable physics based space weather modeling and even forecasting.

Toth, Gabor

Spectral Analysis of Regular Material Point Method and its Application to Study High Pressure Reverse Osmosis Membrane Compaction and Embossing

Material Point Method (MPM) is gaining widespread interest in applied continuum mechanics. The fact that all the continuum properties are stored on the particles (or material points) and the governing equations are solved on these material points makes MPM extremely suited to problems involving severe material deformations, such as crack propagation, soil movement, and fluid flows. Despite its popularity, only a few studies have focused on the numerical properties of MPM. This presentation introduces a global spectral analysis of the regular material point method. Contrary to previous studies, the analysis focuses on the numerical properties of the method in the spectral space. The amplification factor is derived as a function of the non- dimensional wave numbers. It provides insights into the stability and dissipative properties of the method for various CFL and Fourier numbers. The effect of the grid shape functions, number of particles per cell and their locations inside the grid cell are also analyzed. The EXAGOOP MPM solver (https://github.com/NREL/Exagoop.git) is developed at the National Renewable Energy Laboratory as a part of the NAWI UHPRO project and is based on the AMReX framework. A single-level, uniform cartesian grid is used as the background mesh, while the particle class in AMReX is used to manage the material point operations. Linear hat and B-splines are used as grid shape functions, while the time integration is performed using explicit Euler time integration. EXAGOOP is both CPU and GPU compatible and has been demonstrated to work well on multiple compute architectures. The performance of EXAGOOP on various computing architectures is presented along with its application to study compaction and embossing of high-pressure reverse osmosis membranes. The MPM solution accurately reproduces the membrane deformation. The deformed pore size and structure simulated using MPM also agree well with experimental SEM images.

material point method

Multi-time-step integration using nodal partitioning

An algorithm is presented which integrates different groups of nodes of a finite element mesh with different time steps and different integrators. Since the nodal groups are updated independently no unsymmetric systems need be solved. Stability is demonstrated by showing that an energy norm of the solution decreases after every update if the time step is less than a given critical value. The element eigenvalue inequality theorem is used to give the critical time step in terms of element eigenvalues.

Smolinski, P.