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At least 973 records · Page 54

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DOE OSTI2021

Quantum simulation of molecules without fermionic encoding of the wave function

Abstract Molecular simulations generally require fermionic encoding in which fermion statistics are encoded into the qubit representation of the wave function. Recent calculations suggest that fermionic encoding of the wave function can be bypassed, leading to more efficient quantum computations. Here we show that the two-electron reduced density matrix (2-RDM) can be expressed as a unique functional of the unencoded N -qubit-particle wave function without approximation, and hence, the energy can be expressed as a functional of the 2-RDM without fermionic encoding of the wave function. In contrast to current hardware-efficient methods, the derived functional has a unique, one-to-one (and onto) mapping between the qubit-particle wave functions and 2-RDMs, which avoids the over-parametrization that can lead to optimization difficulties such as barren plateaus. An application to computing the ground-state energy and 2-RDM of H 4 is presented.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2017

Canopus: A Paradigm Shift Towards Elastic Extreme-Scale Data Analytics on HPC

Scientific simulations on high performance computing (HPC) platforms generate large quantities of data. To bridge the widening gap between compute and I/O, and enable data to be more efficiently stored and analyzed, simulation outputs need to be refactored, reduced, and appropriately mapped to storage tiers. However, a systematic solution to support these steps has been lacking on the current HPC software ecosystem. To that end, this paper develops Canopus, a progressive JPEGlike data management scheme for storing and analyzing big scientific data. It co-designs the data decimation, compression and data storage, taking the hardware characteristics of each storage tier into considerations. With reasonably low overhead, our approach refactors simulation data into a much smaller, reduced-accuracy base dataset, and a series of deltas that is used to augment the accuracy if needed. The base dataset and deltas are compressed and written to multiple storage tiers. Data saved on different tiers can then be selectively retrieved to restore the level of accuracy that satisfies data analytics. Thus, Canopus provides a paradigm shift towards elastic data analytics and enables end users to make trade-offs between analysis speed and accuracy on-the-fly. We evaluate the impact of Canopus on unstructured triangular meshes, a pervasive data model used by scientific modeling and simulations. In particular, we demonstrate the progressive data exploration of Canopus using the “blob detection” use case on the fusion simulation data.

Lu, Tao↗

DOE OSTI2018

SIRIUS: Enabling Progressive Data Exploration for Extreme-Scale Scientific Data

Scientific simulations on high performance computing (HPC) platforms generate large quantities of data. To bridge the widening gap between compute and I/O, and enable data to be more efficiently stored and analyzed, simulation outputs need to be refactored, reduced, and appropriately mapped to storage tiers. However, a systematic solution to support these steps has been lacking in the current HPC software ecosystem. To that end, this paper develops SIRIUS, a progressive JPEG-like data management scheme for storing and analyzing big scientific data. It co-designs data decimation, compression, and data storage, taking the hardware characteristics of each storage tier into considerations. With reasonably low overhead, our approach refactors simulation data, using either topological or uniform decimation, into a much smaller, reduced-accuracy base dataset, and a series of deltas that is used to augment the accuracy if needed. The base dataset and deltas are compressed and written to multiple storage tiers. Data saved on different tiers can then be selectively retrieved to restore the level of accuracy that satisfies data analytics. Thus, SIRIUS provides a paradigm shift towards elastic data analytics and enables end users to make trade-offs between analysis speed and accuracy on-the-fly. This paper further develops algorithms to preserve statistics for data decimation, a common requirement for reducing data. Here, we assess the impact of SIRIUS on unstructured triangular meshes, a pervasive data model used in scientific simulations. In particular, we evaluate two realistic use cases: the blob detection in fusion and high-pressure area extraction in computational fluid dynamics.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Updated distribution maps of predominant Culex mosquitoes across the Americas

Abstract Background Estimates of the geographical distribution of Culex mosquitoes in the Americas have been limited to state and provincial levels in the United States and Canada and based on data from the 1980s. Since these estimates were made, there have been many more documented observations of mosquitoes and new methods have been developed for species distribution modeling. Moreover, mosquito distributions are affected by environmental conditions, which have changed since the 1980s. This calls for updated estimates of these distributions to understand the risk of emerging and re-emerging mosquito-borne diseases. Methods We used contemporary mosquito data, environmental drivers, and a machine learning ecological niche model to create updated estimates of the geographical range of seven predominant Culex species across North America and South America: Culex erraticus , Culex nigripalpus , Culex pipiens , Culex quinquefasciatus , Culex restuans , Culex salinarius , and Culex tarsalis . Results We found that Culex mosquito species differ in their geographical range. Each Culex species is sensitive to both natural and human-influenced environmental factors, especially climate and land cover type. Some prefer urban environments instead of rural ones, and some are limited to tropical or humid areas. Many are found throughout the Central Plains of the USA. Conclusions Our updated contemporary Culex distribution maps may be used to assess mosquito-borne disease risk. It is critical to understand the current geographical distributions of these important disease vectors and the key environmental predictors structuring their distributions not only to assess current risk, but also to understand how they will respond to climate change. Since the environmental predictors structuring the geographical distribution of mosquito species varied, we hypothesize that each species may have a different response to climate change. Graphical abstract

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

HFIR SiC Bowing Test Ready to Insert

This report describes the successful assembly of a High Flux Isotope Reactor (HFIR) irradiation experiment designed to assess radiation-induced lateral bowing of silicon carbide fiber–reinforced, silicon carbide matrix composite (SiC/SiC) components under a radial fast neutron flux gradient. Excessive bowing of a SiC/SiC channel box in a boiling water reactor could potentially interfere with control blade movements. Similar concerns exist for SiC/SiC fuel cladding in light water reactors. The experiment described herein will provide experimental validation of the structural response of a miniature SiC/SiC channel box and tube specimens with pressurized water reactor diameters during irradiation. The significant radial fast neutron flux gradients that exist in the permanent reflector of HFIR were characterized using detailed three-dimensional neutronic calculations. The three-dimensional displacement damage dose rate profile and the resulting volumetric swelling in SiC were used as inputs to structural analyses that predicted the deformation and stresses in the channel box specimen. The specimens were thoroughly characterized prior to irradiation using traditional dimensional inspection and surface profilometry so that these measurements can later be compared with similar measurements that will be made post-irradiation to determine radiation-induced deformations. Furthermore, fine engraving markers were inscribed along all outer surfaces of the specimen and mapped using a digital microscope and a three-dimensional stage. This technique allowed for accurate measurements of the marker spacings, which can be compared with similar measurements that will be made post-irradiation to provide local radiation-induced strain mapping. The experiment was successfully assembled and is scheduled for insertion during HFIR cycle 492, which is currently scheduled to run from May 25, 2021 to June 18, 2021.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2021

Challenges and Potential of Waveform Modeling for Crustal Scale Predictions

Waveform modeling is crucial to improving our understanding of observed seismograms. Forward simulation of wavefields provides quantitative methods of testing interactions between complicated source functions and the propagation medium. Here, we discuss three experiments designed to improve under standing of high frequency seismic wave propagation. First, we compare observed and predicted travel times of crustal phases for a set of real observed earthquakes with calculations and synthetic seismograms. Second, we estimate the frequency content of a series of nearly co-located earthquakes of varying magnitude for which we have a relatively well- known 1D velocity model. Third, we apply stochastic perturbations on top of a 3D tomographic model and qualitatively assess how those variations map to differences in the seismograms. While different in scope and aim, these three vignettes illustrate the current state of crustal scale waveform modeling and the potential for future studies to better constrain the structure of the crust.

58 GEOSCIENCES↗

DOE OSTI2024

Low-Flow Marine Hydrokinetic Turbine for Small Autonomous Unmanned Mobile Recharge Stations

A prototype low-flow marine current turbine for deployment from a small unmanned mobile floating platform has been developed for autonomously seeking and harnessing tidal/coastal currents. The support platform is an unmanned surface vehicle (USV), in the form of a catamaran with two electric outboard motors and with capabilities for autonomous navigation. The USV utilized is a WAM-V 16 vehicle that has been developed separately with support from the Office of Naval Research (ONR) [1]. The marine current turbine is based on a freestream waterwheel (FSWW), also known as an undershot waterwheel (FSWW), mounted on the stern of the USV. The concept of operation involves the USV autonomously navigating to a designated marine current resource. Upon arrival, the USV anchors itself, aligns with the current, and deploys the FSWW turbine using a custom cable-lift mechanism. The turbine harnesses the local current, and an onboard power-take-off (PTO) device converts the mechanical energy into electricity, which is stored in an onboard battery bank. When energy harvesting is completed, the turbine and the anchor are retrieved and the USV navigates to a selected location. These unmanned at-sea platforms can provide power to other unmanned maritime systems. Specifically, in this project, the power generated onboard can be used to charge aerial drones via a custom flight deck that has been developed for the USV. The recharging capabilities offered by a fleet of such strategically placed recharging stations can significantly benefit aerial drones operating in the maritime domain by eliminating the need to travel back and forth to land or ship based charging stations. The project has resulted in the development of subcomponents, including the FSWW turbine, a novel PTO, an automated anchoring system for the USV, an automated turbine deployment system, and a flight deck with capabilities onboard the USV for landing, direct-contact charging and takeoff of aerial drones. The design and development of these subsystems have culminated in the overall prototype marine hydrokinetic platform (MHK Platform, Fig. 1). Comprehensive lab and field testing have been conducted to validate the functionality and performance of the platform and its components. The project demonstrates the potential for autonomous, unmanned systems to harness renewable energy from marine currents, and provide sustainable power solutions for maritime applications such as coastal surveillance and environmental monitoring; shoreline mapping; search and rescue; oceanographic research; inspection and maintenance of offshore energy installations like wind turbines and oil rigs; oil spill response; maritime disaster response; and aerial surveys, as well as facilitation of data transfer drones and shore stations.

16 TIDAL AND WAVE POWER↗

NASA NTRS1972

Trinity Bay Study: Dye tracing experiments

An analysis of the heat balance and temperature distribution within Trinity Bay near Galveston, Texas is presented. The effects of tidal currents, wind driven circulations, and large volume inflows are examined. Emphasis is placed on the effects of turbulent diffusion and local shears in currents. The technique of dye tracing to determine the parameters characterizing dispersion is described. Aerial photographs and maps are provided to show the flow conditions existing at different times and seasons.

Ward, G. H., Jr.↗

NASA NTRS1972

Electric fields in the magnetosphere.

Two techniques, tracking the motions of Ba(+) clouds and measuring the differences in floating potential between symmetric double probes, have been highly successful in: (1) demonstrating the basic convective nature of magnetospheric electric fields, (2) mapping the global patterns of convection at upper ionosphere levels, and (3) revealing the physics of electric currents in the ionosphere and the importance of magnetosphere-ionosphere feedback in altering the imposed convection. The basic pattern of anti-solar convection across the polar cap and night toward day convection in both the evening and morning sectors at auroral belt latitudes persists at all levels of activity. The dawn-dusk potential drop across the polar cap (anti-solar convection) ranges from 20 to 100 kilovolts with the most typical values in the center of this range. The sum of morning and evening (night toward day convection) potential drops in the adjacent auroral belts roughly equals the polar cap drop in the opposite sense as expected.

Heppner, J. P.↗

NASA NTRS1974

ERTS imagery applied to Alaskan coastal problems

Along the Alaska coast, surface water circulation is relatively easy to study with ERTS imagery. Highly turbid river water, sea ice, and fluvial ice have proven to be excellent tracers of the surface waters. Sea truth studies in the Gulf of Alaska, Cook Inlet, Bristol Bay, and the Bering Strait area have established the reliability of these tracers. ERTS imagery in the MSS 4 and 5 bands is particularly useful for observing lower concentrations of suspended sediment, while MSS 6 data is best for the most concentrated plumes. Ice features are most clearly seen on MSS 7 imagery; fracture patterns and the movement of specific floes can be used to map circulation in the winter when runoff is restricted, if appropriate allowance is made for wind influence. Current patterns interpreted from satellite data are only two-dimensional, but since most biological activity and pollution are concentrated near the surface, the information developed can be of direct utility. Details of Alaska inshore circulation of importance to coastal engineering, navigation, pollution studies, and fisheries development have been clarified with satellite data. ERTS has made possible the analysis of circulation in many parts of the Alaskan coast.

Wright, F. F.↗

NASA NTRS1979

Reduction of rotor-turbulence interaction noise in static fan noise testing

Three effective inlet cleanup methods are described. A flared reverse cone inlet is used to eliminate wakes from the fan casings and/or probe supports. Boundary layer suction is employed ahead of the fan rotor and on the outer flare of the cone to reduce the boundary layer turbulence and remove any residual wakes. To reduce the midstream turbulent intensity and length scales, a turbulence control structure is used which is constructed with both a layer of honeycomb and a fine mesh screen. The effects of these cleanup methods are quantified by measuring the far-field noise in an anechoic chamber, using a high-speed 20-in.-diam fan of the current high passband type. The changes in the turbulent field impinging on this rotor are quantified by mapping the streamwise and transverse turbulent properties (spectra, intensity and length scale) with crossed hot film probes. It is convincingly shown that it is possible to clean up the inlet flow of a static fan noise test facility to a point where the static acoustic data simulate flight data.

Kantola, R. A.↗

NASA NTRS1980

Advanced solar thermal receiver technology

Development of advanced receiver technology for solar thermal receivers designed for electric power generation or for industrial applications, such as fuels and chemical production or industrial process heat, is described. The development of this technology is focused on receivers that operate from 1000 F to 3000 F and above. Development strategy is mapped in terms of application requirements, and the related system and technical requirements. Receiver performance requirements and current development efforts are covered for five classes of receiver applications: high temperature, advanced Brayton, Stirling, and Rankine cycle engines, and fuels and chemicals.

Kudirka, A. A.↗

NASA NTRS1986

Global dynamics and thermal structure of Jupiter's atmosphere

Voyager flyby observations have yielded the first detailed maps of wind and temperature fields in the Jupiter atmosphere; these data indicate that Jupiter's zonal currents violate the barotropic instability criterion if they extend only a few scale heights below the cloud tops. Microwave observations at mm and cm wavelengths have probed the atmosphere down to a level of about 7 bars, thereby constraining horizontal and vertical thermal structure in a region of the atmosphere about which little was known. Temporal variations in the temperature field suggest that dynamical processes may be important in the establishment of tropopause structure on short time scales. Ground-based and Voyager observations have also indicated a hemispheric asymmetry in temperature in the upper stratosphere.

Flasar, F. M.↗

NASA NTRS1986

Global dynamics and thermal structure of Jupiter's atmosphere

Flasar, F. M.↗

NASA NTRS1987

High latitude currents in the 0600 to 0900 MLT sector - Observations from Viking and DMSP-F7

High-resolution magnetic field and charged-particle data acquired on March 25, 1986 by the Viking and DMSP-F7 satellites, as they traversed the dawn sector auroral zone on nearly antiparallel trajectories within 40 min of each oher, are analyzed. Magnetic field measurements by Viking at 0850 MLT and by DMSP at 0630 MLT indicate the presence of a large-scale earthward-directed region 1 Birkeland current and an upward-flowing region 2 current. Both satellites also observed a third Birkeland current adjacent to and poleward of the region 1 system with opposite flow. This poleward system is about 0.5 deg invariant latitude wide and has a current density comparable to the region 1 and 2 systems. The highest-latitude current is identified as region 0. Its charged-particle signatures were used to infer field line mapping to the equatorial plane.

Bythrow, P. F.↗

NASA NTRS1991

Error analysis of real time and post processed or bit determination of GFO using GPS tracking

The goal of the Navy's GEOSAT Follow-On (GFO) mission is to map the topography of the world's oceans in both real time (operational) and post processed modes. Currently, the best candidate for supplying the required orbit accuracy is the Global Positioning System (GPS). The purpose of this fellowship was to determine the expected orbit accuracy for GFO in both the real time and post-processed modes when using GPS tracking. This report presents the work completed through the ending date of the fellowship.

Schreiner, William S.↗

NASA NTRS1994

Performance evaluation of digital phase-locked loops for advanced deep space transponders

The performances of the digital phase-locked loops (DPLL's) for the advanced deep-space transponders (ADT's) are investigated. DPLL's considered in this article are derived from the analog phase-locked loop, which is currently employed by the NASA standard deep space transponder, using S-domain to Z-domain mapping techniques. Three mappings are used to develop digital approximations of the standard deep space analog phase-locked loop, namely the bilinear transformation (BT), impulse invariant transformation (IIT), and step invariant transformation (SIT) techniques. The performance in terms of the closed loop phase and magnitude responses, carrier tracking jitter, and response of the loop to the phase offset (the difference between in incoming phase and reference phase) is evaluated for each digital approximation. Theoretical results of the carrier tracking jitter for command-on and command-off cases are then validated by computer simulation. Both theoretical and computer simulation results show that at high sampling frequency, the DPLL's approximated by all three transformations have the same tracking jitter. However, at low sampling frequency, the digital approximation using BT outperforms the others. The minimum sampling frequency for adequate tracking performance is determined for each digital approximation of the analog loop. In addition, computer simulation shows that the DPLL developed by BT provides faster response to the phase offset than IIT and SIT.

Nguyen, T. M.↗

NASA NTRS1997

An Impact-Location Estimation Algorithm for Subsonic Uninhabited Aircraft

An impact-location estimation algorithm is being used at the NASA Dryden Flight Research Center to support range safety for uninhabited aerial vehicle flight tests. The algorithm computes an impact location based on the descent rate, mass, and altitude of the vehicle and current wind information. The predicted impact location is continuously displayed on the range safety officer's moving map display so that the flightpath of the vehicle can be routed to avoid ground assets if the flight must be terminated. The algorithm easily adapts to different vehicle termination techniques and has been shown to be accurate to the extent required to support range safety for subsonic uninhabited aerial vehicles. This paper describes how the algorithm functions, how the algorithm is used at NASA Dryden, and how various termination techniques are handled by the algorithm. Other approaches to predicting the impact location and the reasons why they were not selected for real-time implementation are also discussed.

Bauer, Jeffrey E.↗