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At least 55 records · Page 3

Using Computing and Data Grids for Large-Scale Science and Engineering

We use the term "Grid" to refer to a software system that provides uniform and location independent access to geographically and organizationally dispersed, heterogeneous resources that are persistent and supported. These emerging data and computing Grids promise to provide a highly capable and scalable environment for addressing large-scale science problems. We describe the requirements for science Grids, the resulting services and architecture of NASA's Information Power Grid (IPG) and DOE's Science Grid, and some of the scaling issues that have come up in their implementation.

Johnston, William E.↗

Spatio-Temporal Variability of Groundwater Storage in India

Groundwater level measurements from 3907 monitoring wells, distributed within 22 major river basins of India, are assessed to characterize their spatial and temporal variability. Ground water storage (GWS) anomalies (relative to the long-term mean) exhibit strong seasonality, with annual maxima observed during the monsoon season and minima during pre-monsoon season. Spatial variability of GWS anomalies increases with the extent of measurements, following the power law relationship, i.e., log-(spatial variability) is linearly dependent on log-(spatial extent).In addition, the impact of well spacing on spatial variability and the power law relationship is investigated. We found that the mean GWS anomaly sampled at a 0.25 degree grid scale closes to unweighted average over all wells. The absolute error corresponding to each basin grows with increasing scale, i.e., from 0.25 degree to 1 degree. It was observed that small changes in extent could create very large changes in spatial variability at large grid scales. Spatial variability of GWS anomaly has been found to vary with climatic conditions. To our knowledge, this is the first study of the effects of well spacing on groundwater spatial variability. The results may be useful for interpreting large scale groundwater variations from unevenly spaced or sparse groundwater well observations or for siting and prioritizing wells in a network for groundwater management. The output of this study could be used to maintain a cost effective groundwater monitoring network in the study region and the approach can also be used in other parts of the globe.

Groundwater monitoring↗

How will United States commercial building energy use be impacted by IPCC climate scenarios?

Climate change and anthropogenically-forced shift of weather in the future will impact energy use and resilience of both the built environment and the electric grid. The aim of this analysis is to understand how future climate scenarios will impact electricity and natural gas use of commercial buildings in the United States. Here, this study analyzes this impact for 2030, 2045, and 2100 using Representative Concentration Pathways (RCP) scenarios defined in Intergovernmental Panel on Climate Change (IPCC) Assessment Report 5. The large, gridded simulation of meteorological variables for RCPs 2.6, 4.5, 6.0, and 8.5 are selected and downscaled to make available hourly Future Meteorological Year (FMY) weather files for use and improvement in subsequent studies. High performance computing resources use these FMYs to simulate commercial prototype buildings in every American Society of Heating, Refrigeration, and Air Conditioning Engineers (ASHRAE) climate zone of the United States (US), and results are scaled to nation-wide energy use using conditioned floor area multipliers. The analysis is conducted without speculating the physical and performance traits of future buildings or the grid characteristics. This analysis quantifies the impact of climate change on source electrical and natural gas usage for commercial buildings in the United States over the next 80 years. If US commercial floorspace remained constant, total energy use by 2100 is predicted between an 1.75% decrease under the greatest emission scenario (8.5) and a 1.76% increase under the lowest emission scenario (2.6). When adjusted for anticipated urban growth by 2100, the predicted range is 65% increase (8.5) and 71% increase (2.6). Under a global temperature rise climate scenario, the warmest US climate zones will see a large increases in electricity use derived from space cooling while the coldest US climate zones will see significant decreases in natural gas use caused by the decrease in heating necessary. While climate change may ultimately require adaptations of the built environment to withstand its effects and because the United States is a country that requires more heating than cooling, from a building energy perspective, climate change (average temperature rise) is a net energy saver for the United States.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Improving Trustworthiness of Data-Driven Power Grid Contingency Analysis With Bayesian Residual Graph Neural Networks

The evolving energy landscape requires novel tools to efficiently perform contingency analysis and reliability assessment of power grids, potentially in real-time. The high computational cost of traditional power flow solvers limits their applicability in practice. Machine learning (ML) surrogates such as deep neural networks (NNs) accelerate power flow solvers computations, enabling high-order contingency analysis and real-time decision-making by learning highly nonlinear functions and integrating grid topology via graph architectures. However, (graph) NNs lack predictive power away from training data and do not provide predictive confidence estimates. Here, we present a Bayesian residual graph NN that integrates knowledge from low-fidelity data via residual training and embeds granular quantification of uncertainties, improving trustworthiness critical for high-consequence decision-making. Applying Bayesian concepts to NNs is challenging due to the high-dimensionality of both the parameter space, complicating derivation of a meaningful prior, and the output space in large grid systems, requiring enhanced techniques to assess the predicted high-dimensional uncertainties. Our contributions include: (1) Deriving a prior for fully connected and graph NNs that leverages low-fidelity data to guide mean predictions and appropriately control prior predictive uncertainty. (2) Integrating this prior within an ensembling with anchoring scheme for efficient approximate posterior inference. (3) Deriving enhanced metrics to assess accuracy of both the mean and uncertainty predictions in high dimensions, appropriately accounting for correlations propagated through graph layers. The resulting Bayesian residual graph NN is tested on a contingency analysis task for 14-bus and 118-bus grids.

24 - POWER TRANSMISSION AND DISTRIBUTION↗

Boundary layer transition studies

A small-scale wind tunnel previously used for turbulent boundary layer experiments was modified for two sets of boundary layer transition studies. The first study concerns a laminar separation/turbulent reattachment. The pressure gradient and unit Reynolds number are the same as the fully turbulent flow of Spalart and Watmuff. Without the trip wire, a laminar layer asymptotes to a Falkner & Skan similarity solution in the FPG. Application of the APG causes the layer to separate and a highly turbulent and approximately 2D mean flow reattachment occurs downstream. In an effort to gain some physical insight into the flow processes a small impulsive disturbance was introduced at the C(sub p) minimum. The facility is totally automated and phase-averaged data are measured on a point-by-point basis using unprecedently large grids. The evolution of the disturbance has been tracked all the way into the reattachment region and beyond into the fully turbulent boundary layer. At first, the amplitude decays exponentially with streamwise distance in the APG region, where the layer remains attached, i.e. the layer is viscously stable. After separation, the rate of decay slows, and a point of minimum amplitude is reached where the contours of the wave packet exhibit dispersive characteristics. From this point, exponential growth of the amplitude of the disturbance is observed in the detached shear layer, i.e. the dominant instability mechanism is inviscid. A group of large-scale 3D vortex loops emerges in the vicinity of the reattachment. Remarkably, the second loop retains its identify far downstream in the turbulent boundary layer. The results provide a level of detail usually associated with CFD. Substantial modifications were made to the facility for the second study concerning disturbances generated by Suction Holes for laminar flow Control (LFC). The test section incorporates suction through interchangeable porous test surfaces. Detailed studies have been made using isolated holes in the impervious test plate that used to establish the Blasius base flow. The suction is perturbed harmonically and data are averaged on the basis of the phase of the disturbance, for conditions corresponding to strong suction and without suction. The technique was enhanced by using up to nine multiple probes to reduce the experimental run-time. In both cases, 3D contour surfaces in the vicinity of the hole show highly 3D TS waves which fan out in the spanwise direction forming bow-shaped waves downstream. The case without suction has proved useful for evaluating calculation methods. With suction, the perturbations on the centerline are much stronger and decay less rapidly, while the TS waves in the far field are similar to the case without suction. Downstream, the contour surfaces of the TS waves develop spanwise irregularities which eventually form into clumps. The spanwise clumping is evidence of a secondary instability that could be associated with suction vortices. Designers of porous surfaces use Goldsmith's Criterion to minimize cross-stream interactions. It is shown that partial TS wave cancellation is possible, depending on the hole spacing, disturbance frequency and free-stream velocity. New high-performance Constant Temperature Hot-Wire Anemometers were designed and built, based on a linear system theory analysis that can be extended to arbitrary order. The motivation was to achieve the highest possible frequency reponse while ensuring overall system stability. The performance is equal to or superior to commercially available instruments at about 10% of the cost. Details, such as fabrication drawings and a parts list, have been published to enable the instrument to be construced by others.

Watmuff, Jonathan H.↗

Time-dependent density functional theory with the orthogonal projector augmented wave method

The projector augmented wave (PAW) method of Blöchl linearly maps smooth pseudo wavefunctions to the highly oscillatory all-electron DFT orbitals. Compared to norm-conserving pseudopotentials (NCPP), PAW has the advantage of lower kinetic energy cutoffs and larger grid spacing at the cost of having to solve for non-orthogonal wavefunctions. We earlier developed orthogonal PAW (OPAW) to allow the use of PAW when orthogonal wavefunctions are required. In OPAW, the pseudo wavefunctions are transformed through the efficient application of powers of the PAW overlap operator with essentially no extra cost compared to NCPP methods. Previously, we applied OPAW to DFT. Here, we take the first step to make OPAW viable for post-DFT methods by implementing it in real-time time-dependent (TD) DFT. Using fourth-order Runge–Kutta for the time-propagation, we compare calculations of absorption spectra for various organic and biological molecules and show that very large grid spacings are sufficient, 0.6–0.7 bohr in OPAW-TDDFT rather than the 0.4–0.5 bohr used in traditional NCPP-TDDFT calculations. This reduces the memory and propagation costs by around a factor of 3. Our method would be directly applicable to any post-DFT methods that require time-dependent propagations such as the GW approximation and the Bethe–Salpeter equation.

Chemistry↗

The Statistical Spread of Transmission Outages on a Fast Protection Time Scale Based on Utility Data

When there is a fault, the protection system automatically removes one or more transmission lines on a fast time scale of less than one minute. The outaged lines form a pattern in the transmission network. We extract these patterns from utility outage data, determine some key statistics of these patterns, and then show how to generate new patterns consistent with these statistics. The generated patterns provide a new and easily feasible way to model the overall effect of the protection system at the scale of a large transmission system. This new data-driven generative modeling of protection is expected to contribute to simulations of disturbances in large grids so that they can better quantify the risk of blackouts. Analysis of the pattern sizes suggests an index that describes how much outages spread in the transmission network at the fast timescale.

Transmission↗

Status of wind-energy conversion

The utilization of wind energy is technically feasible as evidenced by the many past demonstrations of wind generators. The cost of energy from the wind has been high compared to fossil fuel systems; a sustained development effort is needed to obtain economical systems. The variability of the wind makes it an unreliable source on a short term basis. However, the effects of this variability can be reduced by storage systems or connecting wind generators to: (1) fossil fuel systems; (2) hydroelectric systems; or (3) dispersing them throughout a large grid network. Wind energy appears to have the potential to meet a significant amount of our energy needs.

Thomas, R. L.↗

Status of wind-energy conversion

The utilization of wind energy is technically feasible as evidenced by the many past demonstrations of wind generators. The cost of energy from the wind has been high compared to fossil fuel systems. A sustained development effort is needed to obtain economical systems. The variability of the wind makes it an unreliable source on a short-term basis. However, the effects of this variability can be reduced by storage systems or connecting wind generators to fossil fuel systems, hydroelectric systems, or dispersing them throughout a large grid network. The NSF and NASA-Lewis Research Center have sponsored programs for the utilization of wind energy.

Thomas, R. L.↗

A decametric wavelength radio telescope for interplanetary scintillation observations

A phased array, electrically steerable radio telescope (with a total collecting area of 18 acres), constructed for the purpose of remotely sensing electron density irregularity structure in the solar wind, is presented. The radio telescope is able to locate, map, and track large scale features of the solar wind, such as streams and blast waves, by monitoring a large grid of natural radio sources subject to rapid intensity fluctuation (interplanetary scintillation) caused by the irregularity structure. Observations verify the performance of the array, the receiver, and the scintillation signal processing circuitry of the telescope.

Cronyn, W. M.↗

Dynamic acoustics for the STAR-100

An algorithm is described to compute time dependent acoustic waves in a jet. The method differs from previous methods in that no harmonic time dependence is assumed, thus permitting the study of nonharmonic acoustical behavior. Large grids are required to resolve the acoustic waves. Since the problem is nonstiff, explicit high order schemes can be used. These have been adapted to the STAR-100 with great efficiencies and permitted the efficient solution of problems which would not be feasible on a scalar machine.

Bayliss, A.↗

Interstellar extinction variations in the Large Magellanic Cloud

The properties of ultraviolet extinction in the LMC are reexamined using some of the existing LMC data from the International Ultraviolet Explorer (IUE) satellite and a large number of new observations obtained during the IUE Sixth Episode. The main goal is to determine if the LMC extinction properties are regionally modulated and, if so, to examine the type and range of the variations. Among the new IUE observations presented is a large grid of unreddened LMC flux standards, which will eliminate spectral mismatch effects as complications in the extinction analysis. Eight new reddened stars were observed. The properties of the program stars are summarized; the method for producing the extinction curves (including the criteria for pairing reddened and unreddened stars) is discussed; and the curves themselves are presented and discussed.

Fitzpatrick, E. L.↗

The infrared characteristics of circumstellar silicate grains

A theoretical study of the infrared emission from circumstellar shells around late-type giants is made, with the aim of deriving the infrared characteristics of the silicate grains condensing in these shells. A large grid of models has been compared with observations of optically visible Miras, IRC sources and OH/IR stars. From fitting the observed relation between the color temperature and the strength of the 10-micron feature, it is concluded that the ratio of the 3.5 to 10-micron absorption efficiencies of the dust is about 0.25, a factor of 2 less than a previous determination. Detailed modeling of the 2 to 13-micron spectrum of OH 26.5 + 0.6, IRC + 10011 and R Cas yielded a similar ratio. These detailed models also show that the shape of the 10-micron feature, particularly around 8 and 13 microns, varies from source to source. The derived 10-micron feature is narrower for larger dust column densities. These observed differences in the intrinsic shape of the 10-micron feature are not due to differences in size of the condensing particles. Probably they are related to structural or compositional differences in the condensing silicates.

Schutte, W.↗

From wind to superwind - The evolution of mass-loss rates for Mira models

Dynamical atmosphere models were calculated for a large grid of variables with Mira-like properties satisfying the Iben radius-luminosity-mass relationship for evolving AGB stars. Their masses ranged from 0.7 to 2.4 solar masses, and their periods from 150 to 800 days. All were fundamental-mode pulsators, had solar metallicity, and included effects of dust. The mass-loss rate increases as an approximately exponential function of time, reaching 0.00001-0.0001 solar masses/yr. Further evolution is dominated by the powerful wind, which strips the star's envelope from the core. This 'superwind', a remarkably robust effect, occurs for all initial stellar masses and all modeling parameters that have been tested. Models with very low metallicity also show the effect, but at higher luminosities, which has intriguing implications for the number of supernovae in early low-metallicity populations and for the chemical evolution of galaxies.

Bowen, G. H.↗

Time-dependent treatment of scattering - Integral equation approaches using the time-dependent amplitude density

The time-dependent form of the Lippmann-Schwinger integral equation is used as the basis of several new wave packet propagation schemes. These can be formulated in terms of either the time-dependent wave function or a time-dependent amplitude density. The latter is nonzero only in the region of configuratiaon space for which the potential is nonzero, thereby in principle obviating the necessity of large grids or the use of complex absorbing potentials when resonances cause long collision times (leading, consequently, to long propagation times). Transition amplitudes are obtained in terms of Fourier transforms of the amplitude density from the time to the energy domain. The approach is illustrated by an application to a standard potential scattering model problem where, as in previous studies, the action of the kinetic energy operator is evaluated by fast Fourier transform (FFT) techniques.

Hoffman, David K.↗

User interface user's guide for HYPGEN

The user interface (UI) of HYPGEN is developed using Panel Library to shorten the learning curve for new users and provide easier ways to run HYPGEN for casual users as well as for advanced users. Menus, buttons, sliders, and type-in fields are used extensively in UI to allow users to point and click with a mouse to choose various available options or to change values of parameters. On-line help is provided to give users information on using UI without consulting the manual. Default values are set for most parameters and boundary conditions are determined by UI to further reduce the effort needed to run HYPGEN; however, users are free to make any changes and save it in a file for later use. A hook to PLOT3D is built in to allow graphics manipulation. The viewpoint and min/max box for PLOT3D windows are computed by UI and saved in a PLOT3D journal file. For large grids which take a long time to generate on workstations, the grid generator (HYPGEN) can be run on faster computers such as Crays, while UI stays at the workstation.

Chiu, Ing-Tsau↗

Oxygen-enhanced models for globular cluster stars. III - Horizontal-branch sequences

A large grid of horizontal-branch (HB) evolutionary sequences which have been calculated with core expansion and semiconvection and with enhanced oxygen composition are presented and described. Tracks for 10 different metallicities are computed; they range from (Fe/H) = -0.47 to -2.26 and comprise a total of 115 sequences. The evolution is traced from the zero-age horizontal-branch (ZAHB) to the lower AGB at a point where log L/solar luminosity = 2.25. All of the sequences are illustrated on both the theoretical H-R diagram and on the B, V color-magnitude diagram. A complete set of tables for the ZAHB models and a representative sample of tabulations of the track parameters are provided. The phenomena which control HB evolution morphology, and existing certainties in theoretical HB models are discussed.

Dorman, Ben↗

Single element injector cold flow testing for STME swirl coaxial injector element design

An oxidizer-swirled coaxial element injector is being investigated for application in the Space Transportation Main Engine (STME). Single element cold flow experiments were conducted to provide characterization of the STME injector element for future analysis, design, and optimization. All tests were conducted to quiescent, ambient backpressure conditions. Spray angle, circumferential spray uniformity, dropsize, and dropsize distribution were measured in water-only and water/nitrogen flows. Rupe mixing efficiency was measured using water/sucrose solution flows with a large grid patternator for simple comparative evaluation of mixing. Factorial designs of experiment were used for statistical evaluation of injector geometrical design features and propellant flow conditions on mixing and atomization. Increasing the free swirl angle of the liquid oxidizer had the greatest influence on increasing the mixing efficiency. The addition of gas assistance had the most significant effect on reducing oxidizer droplet size parameters and increasing droplet size distribution. Increasing the oxidizer injection velocity had the greatest influence for reducing oxidizer droplet size parameters and increasing size distribution for non-gas assisted flows. Single element and multi-element subscale hot fire testing are recommended to verify optimized designs before committing to the STME design.

Hulka, J.↗