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At least 1,477 records · Page 82

Plasma fluctuations and large-scale mixing near Comet Giacobini-Zinner

The relationship among plasma densities, flow speeds and directions, and temperatures, at distances within about 100,000 km of Comet Giacobini-Zinner's nucleus, are presently examined in view of lowpass-filtered data from the International Cometary Explorer's electron spectrometer. While the largest amplitude density spikes often have more significant flow changes associated with them, a consistent pattern is not found. Power spectral analyses in and near the sheath/transition regions show that density fluctuation levels are enhanced at all detectable frequencies, consistent with strong density fluctuations on all time scales. Such mechanisms as the amplification of convected ion pickup waves and cometary rays for producing the large plasma variations are discussed. It is suggested that the Rayleigh-Taylor effect-driven mixing mechanism at a mass-loading boundary abut 100,000 km from the nucleus may be operative.

Baker, D. N.↗

Spectral multi-domain for large-scale fluid dynamic simulations

A number of successful applications of a spectral collocation method extended by a multi-domain patching technique are shown. The multi-domain technique can be used to improve resolution for problems with widely disparate scales, and to reduce the ill-conditioning of the spectral operators for problems in which a large number of points are required for distributed resolution. A new nonreflecting outflow boundary treatment for unsteady transition-to-turbulence simulations is also presented, which relies on the multi-domain technique. The role of multi-domain in improving the efficiency of such calculations is discussed.

Streett, C. L.↗

Characterizing parallel file-access patterns on a large-scale multiprocessor

Rapid increases in the computational speeds of multiprocessors have not been matched by corresponding performance enhancements in the I/O subsystem. To satisfy the large and growing I/O requirements of some parallel scientific applications, we need parallel file systems that can provide high-bandwidth and high-volume data transfer between the I/O subsystem and thousands of processors. Design of such high-performance parallel file systems depends on a thorough grasp of the expected workload. So far there have been no comprehensive usage studies of multiprocessor file systems. Our CHARISMA project intends to fill this void. The first results from our study involve an iPSC/860 at NASA Ames. This paper presents results from a different platform, the CM-5 at the National Center for Supercomputing Applications. The CHARISMA studies are unique because we collect information about every individual read and write request and about the entire mix of applications running on the machines. The results of our trace analysis lead to recommendations for parallel file system design. First the file system should support efficient concurrent access to many files, and I/O requests from many jobs under varying load conditions. Second, it must efficiently manage large files kept open for long periods. Third, it should expect to see small requests predominantly sequential access patterns, application-wide synchronous access, no concurrent file-sharing between jobs appreciable byte and block sharing between processes within jobs, and strong interprocess locality. Finally, the trace data suggest that node-level write caches and collective I/O request interfaces may be useful in certain environments.

Purakayastha, Apratim↗

Very Large Scale Optimization

The purpose of this research under the NASA Small Business Innovative Research program was to develop algorithms and associated software to solve very large nonlinear, constrained optimization tasks. Key issues included efficiency, reliability, memory, and gradient calculation requirements. This report describes the general optimization problem, ten candidate methods, and detailed evaluations of four candidates. The algorithm chosen for final development is a modern recreation of a 1960s external penalty function method that uses very limited computer memory and computational time. Although of lower efficiency, the new method can solve problems orders of magnitude larger than current methods. The resulting BIGDOT software has been demonstrated on problems with 50,000 variables and about 50,000 active constraints. For unconstrained optimization, it has solved a problem in excess of 135,000 variables. The method includes a technique for solving discrete variable problems that finds a "good" design, although a theoretical optimum cannot be guaranteed. It is very scalable in that the number of function and gradient evaluations does not change significantly with increased problem size. Test cases are provided to demonstrate the efficiency and reliability of the methods and software.

Vanderplaats, Garrett↗

Additive Manufacture of Multi-Functional, Large-Scale Components

The poster summarizes the main results for a LDRD focused on developing a arc-based additive manufacturing (AM) system capable of fabricating large components with a composition gradient otherwise known as functionally graded materials (FGMs). FGMs are capable of addressing local extreme conditions in an optimal and cost-effective manner. The AM system (referred to as multi-Wire Arc Additive Manufacturing or m-WAAM) consisted of modifying a standard automated gas tungsten arc welding system to deliver multiple welding wires to the weld pool at controlled rates to deposit desired alloy compositions at critical locations. Numerous shapes and composition gradients were fabricated with the system and the effect of various deposition parameters on the nature of the composition profile were evaluated. Additionally, heat treatment of the FGM was performed to develop graded microstructures which should enhance dynamic impact performance of inexpensive steels. The project highlights the potential of m-WAAM to efficiently fabricate FGMs. However, this project only explored the science behind the technique and additional development work will be required to develop a fully-functional system that can build more complex components.

36 MATERIALS SCIENCE↗

Solar flare activity - Evidence for large-scale changes in the past

An analysis of radar and photographic meteor data and of spacecraft meteoroid-penetration data indicates that there probably has not been a large increase in meteoroid impact rates in the last 10,000 yr. The solar-flare tracks observed in the glass linings of meteoroid impact pits on lunar rock 15205 are therefore reanalyzed assuming a meteoroid flux that is constant in time. Based on this assumption, the data suggest that the production rate of Fe-group solar-flare tracks may have varied by as much as a factor of 50 on a time scale of about 10,000 yr. No independently obtained data are known to require conflict with this interpretation. Confidence in this conclusion is somewhat qualified by the experimental and analytical uncertainties involved, but the conclusion nevertheless remains the present 'best' explanation for the observed data trends.

Zook, H. A.↗

Large-Scale Trajectory Analysis via Feature Vectors

The explosion of both sensors and GPS-enabled devices has resulted in position/time data being the next big frontier for data analytics. However, many of the problems associated with large numbers of trajectories do not necessarily have an analog with many of the historic big-data applications such as text and image analysis. Modern trajectory analytics exploits much of the cutting-edge research in machine-learning, statistics, computational geometry and other disciplines. We will show that for doing trajectory analytics at scale, it is necessary to fundamentally change the way the information is represented through a feature-vector approach. We then demonstrate the ability to solve large trajectory analytics problems using this representation.

58 GEOSCIENCES↗

Reconstructing large-scale temperature profiles around z ∼ 6 quasars

ABSTRACT High-redshift quasars ionize He ii into He iii around them, heating the intergalactic medium in the process and creating large regions with elevated temperature. In this work, we demonstrate a method based on a convolutional neural network (CNN) to recover the spatial profile for T0, the temperature at the mean cosmic density, in quasar proximity zones. We train the neural network with synthetic spectra drawn from a Cosmic Reionization on Computers simulation. We discover that the simple CNN is able to recover the temperature profile with an accuracy of ≈1400 K in an idealized case of negligible observational uncertainties. We test the robustness of the CNN and discover that it is robust against the uncertainties in quasar host halo mass, quasar continuum, and ionizing flux. We also find that the CNN has good generality with regard to the hardness of quasar spectra. This shows that with noiseless spectra, one could use a simple CNN to distinguish gas inside or outside the He iii region created by the quasar. Because the size of the He iii region is closely related to the total quasar lifetime, this method has great potential in constraining the quasar lifetime on ∼Myr time-scales. However, noise poses a big problem for accuracy and could downgrade the accuracy to ≈2340 K even for very high signal-to-noise (≳50) spectra. Future studies are needed to reduce the error associated with noise to constrain the lifetimes of reionization epoch quasars with currently available data.

79 ASTRONOMY AND ASTROPHYSICS↗

What is the Best Alternative to Diagonalization of the Hamiltonian in Large Scale Semiempirical Calculations?

Recently, several linear scaling approaches have been introduced which replace the time dominating diagonalization step in semiempirical methods, enabling practical calculations to be performed, on very large molecules. This paper compares the accuracy and performance of pseudodiagonalization (PD), conjugate gradient density matrix search (CG-DMS), the Chebyshev polynomial expansion method (CEM), and purification of the density matrix (PDM) as linear scaling substitutions for diagonalization. The scaling, speed, and reliability of these methods are compared for AMI single point energy calculations on polyglycine chains (up to 20,000 atoms), water clusters (up to 12,300 atoms), and nucleic acids (up to 6300 atoms).

Daniels, Andrew D.↗

Implications of Large Scale Shifts in Tropospheric NO(x) Levels in the Remote Tropical Pacific

A major observation recorded during NASA's western Pacific Exploratory Mission (PEM-West B) was the large shift in tropical NO levels as a function of geographical location. High-altitude NO levels exceeding 100 pptv were observed during portions of tropical flights 5-8, while values almost never exceeded 20 pptv during tropical flights 9 and 10. The geographical regions encompassing these two flight groupings are here labeled "high" and "low" NOx regimes. A comparison of these two regimes, based on back trajectories and chemical tracers, suggests that air parcels in both were strongly influenced by deep convection. The low NO(x) regime appears to have been predominantly impacted by marine convection, whereas the high NO(x) regime shows evidence of having been more influenced by deep convection over a continental land mass. DMSP satellite observations point strongly toward lightning as the major source of NOx in the latter regime. Photochemical ozone formation in the high NOx regime exceeded that for low NO(x) by factors of 2 to 6, whereas O3 destruction in the low NO(x)regime exceeded that for high NOx by factors of up to 3. Taking the tropopause height to be 17 km, estimates of the net photochemical effect on the O3 column revealed that the high NO(x) regime led to a small net production. By contrast, the low NOx regime was shown to destroy O3 at the rate of 3.4 % per day. One proposed mechanism for off-setting this projected large deficit would involve the transport of 03 rich midlatitude air into the tropics. Alternatively, it is suggested that O3 within the tropics may be overall near self-sustaining with respect to photochemical activity. This scenario would require that some tropical regions, unsampled at the time of PEM-B, display significant net column O3 production, leading to an overall balanced budget for the "greater" tropical Pacific basin. Details concerning the chemical nature of such regimes are discussed.

Crawford, J. H.↗

Large Scale Testing of a Foam/Multilayer Insulation Thermal Control System (TCS) for Cryogenic Upper Stages

The development of high energy cryogenic upper stages is essential for the efficient delivery of large payloads to various destinations envisioned in future programs. A key element in such upper stages is cryogenic fluid management (CFM) advanced development/technology. Due to the cost of and limited opportunities for orbital experiments, ground testing must be employed to the fullest extent possible. Therefore, a system level test bed termed the Multipurpose Hydrogen Test Bed (MHTB), which is representative in size and shape (3 meter diameter by 3 meter long with a volume of 18 cubic meters) of a fully integrated space transportation vehicle liquid hydrogen propellant tank has been established. To date, upper stage studies have often baselined the foam/multilayer insulation (FMLI) combination concept; however, hardware experience with the concept is minimal and was therefore selected for the MHTB. The foam element (isofoam SS-1 171 with an average thickness of 3.5 centimeters) is designed to protect against ground hold/ascent flight environments, and allows for the use of a dry nitrogen purge as opposed to the more complex/heavy helium purge subsystem normally required with MLI in cryogenic applications. The MLI (45 layers of Double Aluminized Mylar with Dacron spacers) provides protection in the vacuum environment of space and is designed for an on-orbit storage period of 45 days. Several unique features were incorporated in the MLI concept and included: variable density MLI (reduces weight and radiation losses by changing the layer density), larger but fewer DAM perforations for venting during ascent to orbit (reduces radiation losses), and roll wrap installation of the MLI with a commercially established process to lower assembly man-hours and reduce seam heat leak. Thermal performance testing of the MHTB TCS was conducted during three test series conducted between September 1995 and May 1996. Results for the ground hold portion of the tests were as expected producing an average heat leak of 63 WattS/M2 at an average foam surface temperature of 170 K. The results of the simulated orbit hold test interval produced heat leaks ranging from 0.085 to 0.22 Watts/squareM at warm boundary temperatures of 164K and 305K, respectively. When compared to the performance for a traditional MLI system, a 60% reduction in orbital heat leak or boiloff was measured. Overall, the MHTB TCS demonstrated satisfactory performance for all mission phases required of a cryogenic upper stage.

Hastings, Leon↗

Precision Measurement of Large Scale Structure

The purpose of this grant was to develop and to start to apply new precision methods for measuring the power spectrum and redshift distortions from the anticipated new generation of large redshift surveys. A highlight of work completed during the award period was the application of the new methods developed by the PI to measure the real space power spectrum and redshift distortions of the IRAS PSCz survey, published in January 2000. New features of the measurement include: (1) measurement of power over an unprecedentedly broad range of scales, 4.5 decades in wavenumber, from 0.01 to 300 h/Mpc; (2) at linear scales, not one but three power spectra are measured, the galaxy-galaxy, galaxy-velocity, and velocity-velocity power spectra; (3) at linear scales each of the three power spectra is decorrelated within itself, and disentangled from the other two power spectra (the situation is analogous to disentangling scalar and tensor modes in the Cosmic Microwave Background); and (4) at nonlinear scales the measurement extracts not only the real space power spectrum, but also the full line-of-sight pairwise velocity distribution in redshift space.

Hamilton, A. J. S.↗

Melt production in large-scale impact events: Calculations of impact-melt volumes and crater scaling

Along with an apparent convergence in estimates of impact-melt volumes produced during planetary impact events, intensive efforts at deriving scaling relationships for crater dimensions have also yielded results. It is now possible to examine a variety of phenomena associated with impact-melt production during large cratering events and apply them to planetary problems. This contribution describes a method of combining calculations of impact-melt production with crater scaling to investigate the relationship between the two.

Cintala, Mark J.↗

Massively parallel GPU enabled third-order cluster perturbation excitation energies for cost-effective large scale excitation energy calculations

We present here a massively parallel implementation of the recently developed CPS(D-3) excitation energy model that is based on cluster perturbation theory. The new algorithm extends the one developed in Baudin et al. [J. Chem. Phys., 150, 134110 (2019)] to leverage multiple nodes and utilize graphical processing units for the acceleration of heavy tensor contractions. Furthermore, we show that the extended algorithm scales efficiently with increasing amounts of computational resources and that the developed code enables CPS(D-3) excitation energy calculations on large molecular systems with a low time-to-solution. More specifically, calculations on systems with over 100 atoms and 1000 basis functions are possible in a few hours of wall clock time. This establishes CPS(D-3) excitation energies as a computationally efficient alternative to those obtained from the coupled-cluster singles and doubles model.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Large scale solar magnetic fields at the site of flares, the greatness of flares, and solar-terrestrial disturbances

Evidence is presented for an intrinsically solar effect which may dominate such solar-terrestrial correlations as that reported by Chertkov (1976), where large H-alpha flares during 1967-1972 in solar active regions with overlying fields on a 100,000 km scale and predominantly north-to-south orientation were more efficient in the production of geomagnetic disturbances than comparable flares in regions whose fields at the flare sites were directed south-to-north. In addition to being responsible for geomagnetic disturbance enhancements, this purely solar effect may cause solar wind velocity and solar flare proton flux enhancements. If the effect can be generalized to other portions of the solar cycle, it could improve present understanding of the flare mechanism and therefore prove useful in the prediction of solar-terrestrial disturbances.

Dodson, H. W.↗

Large-scale visualization of digital sky surveys

Designed and developed within JPL/Caltech's supercomputing and visualization environment, the virtual observatory software described in this paper permits high performance visualization and analysis of large sky images and catalogs.

sky survey↗

Comparison of Conjugate Gradient Density Matrix Search and Chebyshev Expansion Methods for Avoiding Diagonalization in Large-Scale Electronic Structure Calculations

We report a comparison of two linear-scaling methods which avoid the diagonalization bottleneck of traditional electronic structure algorithms. The Chebyshev expansion method (CEM) is implemented for carbon tight-binding calculations of large systems and its memory and timing requirements compared to those of our previously implemented conjugate gradient density matrix search (CG-DMS). Benchmark calculations are carried out on icosahedral fullerenes from C60 to C8640 and the linear scaling memory and CPU requirements of the CEM demonstrated. We show that the CPU requisites of the CEM and CG-DMS are similar for calculations with comparable accuracy.

Bates, Kevin R.↗

Influence of the Indian Ocean Dipole on the large-scale circulation in South America

The influence of each phase of the Indian Ocean Dipole (IOD) on the largescale circulation in South America is investigated using rainfall observations, fully-coupled, large-ensemble, historical simulations (LENS), and forced experiments using the coupled model’s atmospheric component. IOD events often occur when El Niño Southern Oscillation (ENSO), the largest source of interannual variability of precipitation in South America, is active. To distinguish from effects of ENSO, only cases during neutral ENSO conditions are analyzed in LENS and observations. During the positive IOD polarity, a perturbation in the localWalker circulation leads to increased convection over equatorial South America, resulting in wet anomalies in the Amazon basin. This signal is the opposite of what is expected during El Niño events. Tropical convection anomalies in the Indian Ocean also force an extratropical Rossby wave train that reaches subtropical South America. During positive IOD, the moisture flux from the Amazon to central and southeastern Brazil weakens, resulting in a drying of the area associated with the South Atlantic Convergence Zone. Meanwhile, the South Atlantic Subtropical High strengthens, contributing to a drying in southeastern Brazil. During negative IOD, the induced wave train from the Indian Ocean leads to increased moisture transport to the La Plata basin, leading to wet anomalies in the region.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗