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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Rendezvous algorithms for large-scale modeling and simulation

Rendezvous algorithms encode a communication pattern that is useful when processors sending data do not know who the receiving processors should be, or vice versa. The idea is to define an intermediate decomposition where datums from different sending processors can ”rendezvous” to perform a computation, in a manner that both the senders and eventual receivers of the results can identify the appropriate rendezvous processor. Though they were originally designed for interpolating between overlaid grids with independent parallel decompositions (Plimpton et al., 2004), we have recently found rendezvous algorithms useful for a variety of operations in particle- or grid-based simulation codes when running large problems on large numbers of processors. In particular, we show they can perform well when a load-balanced intermediate decomposition is randomized and not spatial, requiring all-to-all communication to move data between processors. In this case rendezvous algorithms leverage the large bisection communication bandwidths which parallel machines provide. We describe how rendezvous algorithms work in a scientific computing context and give specific examples for molecular dynamics and Direct Simulation Monte Carlo codes which result in dramatic performance improvements versus simpler algorithms which do not scale as well. We explain how a generic rendezvous algorithm can be implemented, and also point out similarities with the MapReduce paradigm popularized by Google and Hadoop.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Convolutional neural network based non-iterative reconstruction for accelerating neutron tomography *

Abstract Neutron computed tomography (NCT), a 3D non-destructive characterization technique, is carried out at nuclear reactor or spallation neutron source-based user facilities. Because neutrons are not severely attenuated by heavy elements and are sensitive to light elements like hydrogen, neutron radiography and computed tomography offer a complementary contrast to x-ray CT conducted at a synchrotron user facility. However, compared to synchrotron x-ray CT, the acquisition time for an NCT scan can be orders of magnitude higher due to lower source flux, low detector efficiency and the need to collect a large number of projection images for a high-quality reconstruction when using conventional algorithms. As a result of the long scan times for NCT, the number and type of experiments that can be conducted at a user facility is severely restricted. Recently, several deep convolutional neural network (DCNN) based algorithms have been introduced in the context of accelerating CT scans that can enable high quality reconstructions from sparse-view data. In this paper, we introduce DCNN algorithms to obtain high-quality reconstructions from sparse-view and low signal-to-noise ratio NCT data-sets thereby enabling accelerated scans. Our method is based on the supervised learning strategy of training a DCNN to map a low-quality reconstruction from sparse-view data to a higher quality reconstruction. Specifically, we evaluate the performance of two popular DCNN architectures—one based on using patches for training and the other on using the full images for training. We observe that both the DCNN architectures offer improvements in performance over classical multi-layer perceptron as well as conventional CT reconstruction algorithms. Our results illustrate that the DCNN can be a powerful tool to obtain high-quality NCT reconstructions from sparse-view data thereby enabling accelerated NCT scans for increasing user-facility throughput or enabling high-resolution time-resolved NCT scans.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Imaginary Time Propagation on a Quantum Chip

We report evolution in imaginary time is a prominent technique for finding the ground state of quantum many-body systems, and the heart of a number of numerical methods that have been used with great success in quantum chemistry, condensed matter, and nuclear physics. We propose an algorithm to implement imaginary time propagation on a quantum computer. Our algorithm is devised in the context of an efficient encoding into an optimized gate, drawing on the underlying characteristics of the quantum device of a unitary operation in an extended Hilbert space. However, we prove that for simple problems it can also be successfully applied to standard digital quantum machines. This work paves the way for porting quantum many-body methods based on imaginary-time propagation to near-term quantum devices, enabling the future quantum simulation of the ground states of a broad class of microscopic systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Quantum Embedding Theory for Strongly Correlated States in Materials

Quantum embedding theories are promising approaches to investigate strongly correlated electronic states of active regions of large-scale molecular or condensed systems. Notable examples are spin defects in semiconductors and insulators. We present a detailed derivation of a quantum embedding theory recently introduced, which is based on the definition of effective Hamiltonians. The effect of the environment on a chosen active space is accounted for through screened Coulomb interactions evaluated using density functional theory. Importantly, the random phase approximation is not required, and the evaluation of virtual electronic orbitals is circumvented with algorithms previously developed in the context of calculations based on many-body perturbation theory. In addition, we generalize the quantum embedding theory to active spaces composed of orbitals that are not eigenstates of Kohn–Sham Hamiltonians. Finally, we report results for spin defects in semiconductors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Muon track reconstruction in a segmented bolometric array using multi-objective optimization

Recent advances in segmented solid-state detector arrays for rare-event searches have allowed the technology to approach the ton-scale in detector mass and the scale of meters in size. Often focused around searches for neutrinoless double-beta decay or direct dark matter detection, such experiments also have the capability to search for exotic particles that leave track-like signatures across their volume. However, the segmented nature of such detector arrays often sets the spatial resolution and makes the problem of reconstructing track-like paths non-trivial. Here, in this paper, we present an algorithm that improves reconstruction of track-like events in segmented detectors using multi-objective optimization — a computational technique that optimizes more than one cost function at a time without specifying a quantitative weighting between them. Such a technique allows the reconstruction of tracks through a detector and the determination of path-lengths through individual elements. When combined with the reconstructed energy depositions in each element this allows for a calculation of the stopping power of track-like particles and opens the door to searches for particles with abnormal stopping power like monopoles or lightly-ionizing particles (LIPs). Results are presented which evaluate the precision of the reconstruction tools as they currently stand against Monte Carlo generated data. The algorithm is presented in the context of the CUORE experiment, but has applications to other segmented calorimeter detectors.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Impacts of Dispatch Strategies and Forecast Errors on the Economics of Behind-the-Meter PV-Battery Systems

To assess the economic value of batteries in hybrid PV-battery systems, one must create a dispatch profile for the battery. Many analyses of battery value assume perfect forecasts of PV generation and load, determining an upper limit on the value of the battery. Prior work that accounts for forecast uncer- tainty often does so in the context of a single dispatch algorithm, which does not provide a baseline for comparison. Furthermore, when multiple dispatch algorithms are assessed with uncertainty, the benefits considered are for diesel generation in a microgrid, not retail rate savings. This work addresses the gaps in the literature by comparing the performance of both heuristic and optimal dispatch algorithms for retail rate savings under forecast uncertainty, and provides comparisons of the robustness of these algorithms and their associated estimates of economic value. We find that using a perfect forecast can overestimate the value of hybrid PV-battery systems between 1% and 8% compared to the reality of using a day-ahead forecast, depending on the dispatch algorithm used. Thus, accounting for forecast uncertainty in system design and analysis will significantly improve the accuracy of modeled system values.

batteries↗
DOE OSTI2023

Strategies for conservative and non-conservative monotone remapping on the sphere

Abstract. Monotonicity is an important property of remapping operators for coupled weather and climate models. However, it is often challenging to design highly accurate operators that avoid the generation of new extrema or keep a remapped field between physically prescribed bounds. To that end, this paper explores several traditional and novel approaches for both conservative and non-conservative monotone remapping on the sphere. The accuracy and effectiveness of these algorithms are evaluated in the context of several different real and idealized fields and meshes.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1991

Experiments with conjugate gradient algorithms for homotopy curve tracking

There are algorithms for finding zeros or fixed points of nonlinear systems of equations that are globally convergent for almost all starting points, i.e., with probability one. The essence of all such algorithms is the construction of an appropriate homotopy map and then tracking some smooth curve in the zero set of this homotopy map. HOMPACK is a mathematical software package implementing globally convergent homotopy algorithms with three different techniques for tracking a homotopy zero curve, and has separate routines for dense and sparse Jacobian matrices. The HOMPACK algorithms for sparse Jacobian matrices use a preconditioned conjugate gradient algorithm for the computation of the kernel of the homotopy Jacobian matrix, a required linear algebra step for homotopy curve tracking. Here, variants of the conjugate gradient algorithm are implemented in the context of homotopy curve tracking and compared with Craig's preconditioned conjugate gradient method used in HOMPACK. The test problems used include actual large scale, sparse structural mechanics problems.

Irani, Kashmira M.↗
NASA NTRS1988

Computational requirements for on-orbit identification of space systems

For the future space systems, on-orbit identification (ID) capability will be required to complement on-orbit control, due to the fact that the dynamics of large space structures, spacecrafts, and antennas will not be known sufficiently from ground modeling and testing. The computational requirements for ID of flexible structures such as the space station (SS) or the large deployable reflectors (LDR) are however, extensive due to the large number of modes, sensors, and actuators. For these systems the ID algorithm operations need not be computed in real-time, only in near real-time, or an appropriate mission time. Consequently the space systems will need advanced processors and efficient parallel processing algorithm design and architectures to implement the identification algorithms in near real-time. The MAX computer currently being developed may handle such computational requirements. The purpose is to specify the on-board computational requirements for dynamic and static identification for large space structures. The computational requirements for six ID algorithms are presented in the context of three examples: the JPL/AFAL ground antenna facility, the space station (SS), and the large deployable reflector (LDR).

Hadaegh, Fred Y.↗
NASA NTRS1994

Optimal pattern distributions in Rete-based production systems

Since its introduction into the AI community in the early 1980's, the Rete algorithm has been widely used. This algorithm has formed the basis for many AI tools, including NASA's CLIPS. One drawback of Rete-based implementation, however, is that the network structures used internally by the Rete algorithm make it sensitive to the arrangement of individual patterns within rules. Thus while rules may be more or less arbitrarily placed within source files, the distribution of individual patterns within these rules can significantly affect the overall system performance. Some heuristics have been proposed to optimize pattern placement, however, these suggestions can be conflicting. This paper describes a systematic effort to measure the effect of pattern distribution on production system performance. An overview of the Rete algorithm is presented to provide context. A description of the methods used to explore the pattern ordering problem area are presented, using internal production system metrics such as the number of partial matches, and coarse-grained operating system data such as memory usage and time. The results of this study should be of interest to those developing and optimizing software for Rete-based production systems.

Scott, Stephen L.↗
NASA NTRS2007

Interannual and Decadal Variability of Ocean Surface Latent Heat Flux as Seen from Passive Microwave Satellite Algorithms

Ocean surface turbulent fluxes are critical links in the climate system since they mediate energy exchange between the two fluid systems (ocean and atmosphere) whose combined heat transport determines the basic character of Earth's climate. Deriving physically-based latent and sensible heat fluxes from satellite is dependent on inferences of near surface moisture and temperature from coarser layer retrievals or satellite radiances. Uncertainties in these "retrievals" propagate through bulk aerodynamic algorithms, interacting as well with error properties of surface wind speed, also provided by satellite. By systematically evaluating an array of passive microwave satellite algorithms, the SEAFLUX project is providing improved understanding of these errors and finding pathways for reducing or eliminating them. In this study we focus on evaluating the interannual variability of several passive microwave-based estimates of latent heat flux starting from monthly mean gridded data. The algorithms considered range from those based essentially on SSM/I (e.g. HOAPS) to newer approaches that consider additional moisture information from SSM/T-2 or AMSU-B and lower tropospheric temperature data from AMSU-A. On interannual scales, variability arising from ENSO events and time-lagged responses of ocean turbulent and radiative fluxes in other ocean basins (as well as the extratropical Pacific) is widely recognized, but still not well quantified. Locally, these flux anomalies are of order 10-20 W/sq m and present a relevant "target" with which to verify algorithm performance in a climate context. On decadal time scales there is some evidence from reanalyses and remotely-sensed fluxes alike that tropical ocean-averaged latent heat fluxes have increased 5-10 W/sq m since the early 1990s. However, significant uncertainty surrounds this estimate. Our work addresses the origin of these uncertainties and provides statistics on time series of tropical ocean averages, regional space / time correlation analysis, and separation of contributions by variations in wind and near surface humidity deficit. Comparison to variations in reanalysis data sets is also provided for reference.

Robertson, Franklin R.↗
DOE OSTI2023

Impacts of Dispatch Strategies and Forecast Errors on the Economics of Behind-the-Meter PV-Battery Systems

To assess the economic value of batteries in hybrid PV-battery systems, one must create a dispatch profile for the battery. Many analyses of battery value assume perfect forecasts of PV generation and load, determining an upper limit on the value of the battery. Prior work that accounts for forecast uncertainty often does so in the context of a single dispatch algorithm, which does not provide a baseline for comparison. Furthermore, when multiple dispatch algorithms are assessed with uncertainty, the benefits considered are for diesel generation in a microgrid, not retail rate savings. This work addresses the gaps in the literature by comparing the performance of both heuristic and optimal dispatch algorithms for retail rate savings under forecast uncertainty, and provides comparisons of the robustness of these algorithms and their associated estimates of economic value. We find that using a perfect forecast can overestimate the value of hybrid PV-battery systems between 1% and 8% compared to the reality of using a day-ahead forecast, depending on the dispatch algorithm used. Thus, accounting for forecast uncertainty in system design and analysis will significantly improve the accuracy of modeled system values.

batteries↗
DOE OSTI2023

Impacts of Dispatch Strategies and Forecast Errors on the Economics of Behind-the-Meter PV-Battery Systems: Preprint

To assess the economic value of batteries in hybrid PV-battery systems, one must create a dispatch profile for the battery. Many analyses of battery value assume perfect forecasts of PV generation and load, determining an upper limit on the value of the battery. Prior work that accounts for forecast uncertainty often does so in the context of a single dispatch algorithm, which does not provide a baseline for comparison. Furthermore, when multiple dispatch algorithms are assessed with uncertainty, the benefits considered are for diesel generation in a microgrid, not retail rate savings. This work addresses the gaps in the literature by comparing the performance of both heuristic and optimal dispatch algorithms for retail rate savings under forecast uncertainty, and provides comparisons of the robustness of these algorithms and their associated estimates of economic value. We find that using a perfect forecast can overestimate the value of hybrid PV-battery systems between 1% and 8% compared to the reality of using a day-ahead forecast, depending on the dispatch algorithm used. Thus, accounting for forecast uncertainty in system design and analysis will significantly improve the accuracy of modeled system values.

batteries↗
NASA NTRS2021

Online Photometric Calibration of Automatic Gain Thermal Infrared Cameras

Thermal infrared cameras are increasingly being used in various applications such as robot vision, industrial inspection and medical imaging, thanks to their improved resolution and portability. However, the performance of traditional computer vision techniques developed for electro-optical imagery does not directly translate to the thermal domain due to two major reasons: these algorithms require photometric assumptions to hold, and methods for photometric calibration of RGB cameras cannot be applied to thermal-infrared cameras due to difference in data acquisition and sensor phenomenology. In this paper, we take a step in this direction, and introduce a novel algorithm for online photometric calibration of thermalinfrared cameras. Our proposed method does not require any specific driver/hardware support and hence can be applied to any commercial off-the-shelf thermal IR camera. We present this in the context of visual odometry and SLAM algorithms, and demonstrate the efficacy of our proposed system through extensive experiments for both standard benchmark datasets, and real-world field tests with a thermal-infrared camera in natural outdoor environments.

Daftry, Shreyansh↗
NASA NTRS2003

Comment on 'Modeling of Convective-Stratiform Precipitation Processes: Sensitivity to Partitioning Methods' by Matthias Steiner

Despite the obvious notion that the presence of hail or graupel is a good indication of convection, the model results show this does not provide an objective benchmark partly due to the unrealistic presence of small amounts of hail or graupel throughout the anvil in the model but mainly because of the significant amounts of hail or graupel, especially in the tropical TOGA COARE simulation, in the transition zone. Without use of a "transition" category, it is open to debate as how this region should best be defined, as stratiform or as convective. So, the presence of significant hail or graupel contents in this zone significantly degrades its use an objective benchmark for convection. The separation algorithm comparison was done in the context of a cloud-resolving model. These models are widely used and serve a variety of purposes especially with regard to retrieving information that cannot be directly measured by providing synthetic data sets that are consistent and complete. Separation algorithms are regularly applied in these models. However, as with any modeling system, these types 'of models are constantly being improved to overcome any known deficiencies and make them more accurate representations of observed systems. The presence of hail and graupel in the anvil and the bias towards heavy rainfall rates are two such examples of areas that need improvement. Since, both of these can effect the perceived performance of the separation algorithms, the Lang et al. (2003) study did not want to overstate the relative performance of any specific algorithms.

Lang, Steve↗
NASA NTRS2004

Use of GOES, SSM/I, TRMM Satellite Measurements Estimating Water Budget Variations in Gulf of Mexico - Caribbean Sea Basins

This study presents results from a multi-satellite/multi-sensor retrieval system designed to obtain the atmospheric water budget over the open ocean. A combination of 3ourly-sampled monthly datasets derived from the GOES-8 5-channel Imager, the TRMM TMI radiometer, and the DMSP 7-channel passive microwave radiometers (SSM/I) have been acquired for the combined Gulf of Mexico-Caribbean Sea basin. Whereas the methodology has been tested over this basin, the retrieval system is designed for portability to any open-ocean region. Algorithm modules using the different datasets to retrieve individual geophysical parameters needed in the water budget equation are designed in a manner that takes advantage of the high temporal resolution of the GOES-8 measurements, as well as the physical relationships inherent to the TRMM and SSM/I passive microwave measurements in conjunction with water vapor, cloud liquid water, and rainfall. The methodology consists of retrieving the precipitation, surface evaporation, and vapor-cloud water storage terms in the atmospheric water balance equation from satellite techniques, with the water vapor advection term being obtained as the residue needed for balance. Thus, the intent is to develop a purely satellite-based method for obtaining the full set of terms in the atmospheric water budget equation without requiring in situ sounding information on the wind profile. The algorithm is validated by cross-checking all the algorithm components through multiple- algorithm retrieval intercomparisons. A further check on the validation is obtained by directly comparing water vapor transports into the targeted basin diagnosed from the satellite algorithms to those obtained observationally from a network of land-based upper air stations that nearly uniformly surround the basin, although it is fair to say that these checks are more effective m identifying problems in estimating vapor transports from a leaky operational radiosonde network than in verifying the transport estimates determined from the satellite algorithm system Total columnar atmospheric water budget results are presented for an extended annual cycle consisting of the months of October-97, January-98, April-98, July-98,October-98, and January 1999. These results are used to emphasize the changing relationship in E-P, as well as in the varying roles of storage and advection in balancing E-P both on daily and monthly time scales and on localized and basin space scales. Results from the algorithm-to-algorithm intercomparisons are also presented in the context of sensitivity testing to help understand the intrinsic uncertainties in evaluating the water budget terms by an all-satellite algorithm approach.

Smith, Eric A.↗
NASA NTRS2006

Monthly-Diurnal Water Budget Variability Over Gulf of Mexico-Caribbean Sea Basin from Satellite Observations

This study presents results from a multi-satellite/multi-sensor retrieval system design d to obtain the atmospheric water budget over the open ocean. A combination of hourly-sampled monthly datasets derived from the GOES-8 5-channel Imager, the TRMM TMI radiometer, and the DMSP 7-channel passive microwave radiometers (SSM/I) have been acquired for the combined Gulf of Mexico-Caribbean Sea basin. Whereas the methodology has been tested over this basin, the retrieval system is designed for portability to any open-ocean region. Algorithm modules using the different datasets to retrieve individual geophysical parameters needed in the water budget equation are designed in a manner that takes advantage of the high temporal resolution of the GOES-8 measurements, as well as the physical relationships inherent to the TRMM and SSM/I passive microwave measurements in conjunction with water vapor, cloud liquid water, and rainfall. The methodology consists of retrieving the precipitation, surface evaporation, and vapor-cloud water storage terms in the atmospheric water balance equation from satellite techniques, with the water vapor advection term being obtained as the residue needed for balance. Thus, the intent is to develop a purely satellite-based method for obtaining the full set of terms in the atmospheric water budget equation without requiring in situ sounding information on the wind profile. The algorithm is validated by cross-checking all the algorithm components through multiple-algorithm retrieval intercomparisons. A further check on the validation is obtained by directly comparing water vapor transports into the targeted basin diagnosed from the satellite algorithms to those obtained observationally from a network of land-based upper air stations that nearly uniformly surround the basin, although it is fair to say that these checks are more effective in identifying problems in estimating vapor transports from a "leaky" operational radiosonde network than in verifying the transport estimates determined from the satellite algorithm system. Total columnar atmospheric water budget results are presented for an extended annual cycle consisting of the months of October-97, January-98, April-98, July-98,October-98, and January- 1999. These results are used to emphasize the changing relationship in E-P, as well as in the varying roles of storage and advection in balancing E-P both on daily and monthly time scales and on localized and basin space scales. Results from the algorithm-to-algorithm intercomparisons are also presented in the context of sensitivity testing to help understand the intrinsic uncertainties in evaluating the water budget terms by an all-satellite algorithm approach.

Smith, E. A.↗
DOE OSTI2023

Extending PETSc's Composable Hierarchical Solvers (Final Technical Report)

This report documents research activities conducted at CU Boulder as part of Extending PETSc’s Composable Hierarchical Solvers, which has been part of a collaboration with Argonne National Laboratory (separate award). Our work has focused on performance-portable end-to-end GPU solvers demonstrated via exemplary applications in nonlinear fluid and structural mechanics. We describe advances in algorithmic composition and analysis in the context of these applications, but the implementations are fully documented and decoupled, and in use by other projects. We believe the vertical integration achieved through collaboration with ECP’s CEED and the PSAAP center at CU was necessary to take risks with data structures and algorithms.

42 ENGINEERING↗