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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 271 records · Page 15

Lanczos algorithm for lattice QCD matrix elements

Recent work [M. L. Wagman, Lanczos, the transfer matrix, and the signal-to-noise problem, .] found that an analysis formalism based on the Lanczos algorithm allows energy levels to be extracted from Euclidean correlation functions with faster ground-state convergence than effective masses, convergent estimators for multiple states from a single correlator, and two-sided error bounds. After filtering out spurious eigenvalues and using outlier-robust estimators within a nested bootstrap framework, Lanczos estimators behave more like multistate fit results than effective masses—but without involving statistical fitting. We extend this formalism to the determination of matrix elements from three-point correlation functions and provide a physical picture of “spurious-state filtering” involving restriction to a Hermitian subspace. We demonstrate similar advantages for matrix elements as for spectroscopy through example applications to noiseless mock-data and (bare) forward matrix elements of the strange scalar current between both ground and excited states with the quantum numbers of the nucleon.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

WavePropaGator : interactive framework for X-ray free-electron laser optics design and simulations

This article describes the WavePropaGator (WPG) package, a new interactive software framework for coherent and partially coherent X-ray wavefront propagation simulations. The package has been developed at European XFEL for users at the existing and emerging free-electron laser (FEL) facilities, as well as at the third-generation synchrotron sources and future diffraction-limited storage rings. The WPG addresses the needs of beamline scientists and user groups to facilitate the design, optimization and improvement of X-ray optics to meet their experimental requirements. The package uses the Synchrotron Radiation Workshop (SRW) C/C++ library and its Python binding for numerical wavefront propagation simulations. The framework runs reliably under Linux, Microsoft Windows 7 and Apple Mac OS X and is distributed under an open-source license. The available tools allow for varying source parameters and optics layouts and visualizing the results interactively. The wavefront history structure can be used for tracking changes in every particular wavefront during propagation. The batch propagation mode enables processing of multiple wavefronts in workflow mode. The paper presents a general description of the package and gives some recent application examples, including modeling of full X-ray FEL beamlines and start-to-end simulation of experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Extending synchrotron SAXS instrument ranges through addition of a portable, inexpensive USAXS module with vertical rotation axes

Ultra-SAXS can enhance the capabilities of existing synchrotron SAXS/WAXS beamlines. A compact ultra-SAXS module has been developed, which extends the measurable q -range with 0.0015 ≤ q (nm −1 ) ≤ 0.2, allowing structural dimensions in the range 30 ≤ D (nm) ≤ 4000 to be probed in addition to the range covered by a high-end SAXS/WAXS instrument. By shifting the module components in and out on their respective motor stages, SAXS/WAXS measurements can be easily and rapidly interleaved with USAXS measurements. The use of vertical crystal rotation axes (horizontal diffraction) greatly simplifies the construction, at minimal cost to efficiency. In this paper, the design considerations, realization and synchrotron findings are presented. Measurements of silica spheres, an alumina membrane, and a porous carbon catalyst are provided as application examples.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Kensor: Coordinated Intelligence from Co-Located Sensors

Internet of Things (IoT) is becoming more pervasive in many installations, including homes, manufacturing plants, and industrial facilities of all kinds. The data that IoT produces is a reflection of usual behavior such as daily routines and scheduled tasks, but also from unexpected behavior due to unintentional or undesirable abnormalities. Here, we focus on achieving coordinated intelligence about normal and abnormal phenomena from multiple sensors that are geographically colocated in close proximity, monitoring and controlling a set of co-located devices. Given a set of co-located sensors, we seek an intelligent approach that would automatically determine the “normal” patterns of behaviors among the correlated sensors. After normal behavior is extracted, later monitoring should detect any deviant variations over time. An example application is an entry monitoring and alert system for facilities such as nuclear reactors, where badge readers, door locks, lights, weight trackers and other co-located sensors at the entry point are collectively tracked. To address this problem, we identify the possible solution approach that can be used to solve its different variants. The implemented model is developed as a combination of rules and Markov Chain methods.

Kotevska, Olivera↗

RAM as a Network Managed Resource

This paper describes an architecture for and several application examples of using a dynamically allocable RAM pool over the network as part of a deep memory hierarchy. We present four different use cases, including in situ analysis, machine learning, quantum chemistry simulations, and virtualization. In each use case, we modified or implemented software to use a network RAM pool, and then evaluated the performance. The cases of in situ analysis, machine learning, and virtualization demonstrated good performance. While the quantum chemistry experiments exhibited an average slowdown of 53% for all runs, including those where resources were clearly oversubscribed, the scalability results showed promise.

Allcock, William↗

Approximating the Generalized Voronoi Diagram of Closely Spaced Objects

We present an algorithm to compute an approximation of the generalized Voronoi diagram (GVD) on arbitrary collections of 2D or 3D geometric objects. In particular, we focus on datasets with closely spaced objects; GVD approximation is expensive and sometimes intractable on these datasets using previous algorithms. With our approach, the GVD can be computed using commodity hardware even on datasets with many, extremely tightly packed objects. Our approach is to subdivide the space with an octree that is represented with an adjacency structure. We then use a novel adaptive distance transform to compute the distance function on octree vertices. The computed distance field is sampled more densely in areas of close object spacing, enabling robust and parallelizable GVD surface generation. We demonstrate our method on a variety of data and show example applications of the GVD in 2D and 3D.

97 MATHEMATICS AND COMPUTING↗

Cumulative Spatial Impact Layers: A Novel Multivariate Spatio-Temporal Analytical Summarization Tool

Scientific inquiry often requires analysis of multiple spatio-temporal datasets, ranging in type and size, using complex multi-step processes demanding an understanding of GIS theory and software. Cumulative Spatial Impact Layers (CSIL) is a GIS-based tool that summarizes spatio-temporal datasets based on overlapping features and attributes. Leveraging a recursive quadtree method, and applying multiple additive frameworks, the CSIL tool allows users to analyze raster and vector datasets by calculating data, record, or attribute density. Providing an efficient and robust method for summarizing disparate, multi-format, multi-source geospatial data, CSIL addresses the need for a new integration approach and resulting geospatial product. The built-in flexibility of the CSIL tool allows users to answer a range of spatially-driven questions. Example applications are provided in this paper to illustrate the versatility and variety of uses for this CSIL tool and method. Use cases include addressing regulatory decision-making needs, economic modeling, and resource management. Performance reviews for each use case are also presented, demonstrating how CSILs provides a more efficient and robust approach to assess a range of multivariate spatial data for a variety of uses.

58 GEOSCIENCES↗

Chapter 18: Learning and Tracking Ad Hoc Fiducial Markers in Spatial Augmented Reality

We describe a spatial augmented reality system with a tangible user interface used to control computer simulations of complex systems. In spatial augmented reality, the user’s physical space is augmented with projected imagery, blending real objects with projected information, and a tangible user interface enables users to manipulate physical objects as controllers for interactive visualizations. Our system learns ad hoc objects in the user’s environment as fiducial markers (i.e., objects that are visually recognized and tracked). When combined with simulation and visualization tools, these interfaces allow the user to control simulations or ensembles of simulations via physical objects using apt metaphors. While other research has leveraged the use of depth cameras, our system enables the use of standard cameras in readily available smartphones and webcams and has an implementation that runs completely in JavaScript in the web browser. We discuss the prerequisite object-recognition requirements for such tangible user interfaces and describe computer-vision and machine-learning algorithms meeting those requirements. We conclude by presenting example applications, which are also available online.

energy distribution↗

Recent Hydrodynamic Modeling Enhancements in OpenFAST

To improve the hydrodynamic modeling capabilities of the offshore wind design and modeling tool OpenFAST, a restructuring of the HydroDyn hydrodynamics module was undertaken with several new features implemented. The generation of the wave field is now separated from HydroDyn into a new module called SeaState. Unlike previous versions of HydroDyn, which precomputed the wave kinematics at the undisplaced positions of the hydrodynamic nodes, the new SeaState module computes the complete time history of the wave field at the vertices of a user-defined wave grid. During the simulation, the wave kinematics at any point within the grid can be efficiently interpolated, allowing the strip-theory wave loads to be evaluated based on the wave kinematics at the displaced structure position. A phase correction was also implemented for the potential-flow wave-exciting loads to account for large structure displacements. Several wave-stretching methods were implemented for the strip-theory solution along with a wave-load redistribution method that ensures smooth variation of the nodal loads as the nodes of a discrete hydrodynamic mesh enter and exit the water. The load smoothing is included to avoid the excitation of unphysical high-frequency structural vibration during hydroelastic simulations. The MacCamy-Fuchs diffraction correction for the strip-theory solution and the capability to insert a constrained NewWave into extreme stochastic sea states with directional spreading were also added. The present article documents the formulations of the new improvements to HydroDyn with example applications and numerical results.

constrained wave↗

Development of a thin scintillation films fission-fragment detector and a novel neutron source

Here, investigation of prompt fission and neutron-capture Υ rays from fissile actinide samples at the Detector for Advanced Neutron Capture Experiments (DANCE) requires use of a fission-fragment detector to provide a trigger or a veto signal. A fission-fragment detector based on thin scintillating films and silicon photomultipliers has been built to serve as a trigger/veto detector in neutron-induced fission measurements at DANCE. The fissile material is surrounded by scintillating films providing a 4π detection of the fission fragments. The scintillations were registered with silicon photomultipliers. A measurement of the 235 U(n,f) reaction with this detector at DANCE revealed a correct time-of-flight spectrum and provided an estimate for the efficiency of the prototype detector of 11.6(7)%. Design and test measurements with the detector are described. A neutron source with fast timing has been built to help with detector-response measurements. The source is based on the neutron emission from the spontaneous fission of 252 Cf and the same type of scintillating films and silicon photomultipliers. Overall time resolution of the source is 0.3 ns. Design of the source and test measurements with it are described. An example application of the source for determining the neutron/gamma pulse-shape discrimination by a stilbene crystal is given.

42 ENGINEERING↗

Bio-inspired Bistable Piezoelectric Energy Harvester for Powering Animal Telemetry Tags: Concept Design and Preliminary Experimental Validation

This paper presents the concept design, preliminary experimental validation, and performance evaluation of a novel bio-inspired bi-stable piezoelectric energy harvester for self-powered animal telemetry tags. The overall concept design, which includes a bio-inspired attachment and a bi-stable piezoelectric energy harvester, is introduced firstly with a specific application example of marine fish tracking. The self-powered telemetry tag can be externally deployed on fish (dorsal fin) to monitor fish habitats, population, and underwater environment. Inspired by the Venus flytrap’s rapid shape transition, a bistable piezoelectric energy harvester is developed to scavenge energy from fish maneuvering and the surrounding fluid flow for a sustainable power supply. The bistability of the harvester is characterized by the measured force-displacement curve and double potential wells. A bluff body is integrated to the free end of the bistable piezoelectric energy harvester to enhance the structure-fluid interaction for the large-amplitude snap-through vibrations and higher voltage output. Controlled laboratory experiments are conducted in a water tank on the bio-inspired bi-stable piezoelectric energy harvester using a servo motor system to simulate fish swing motion at various conditions to evaluate the power generation performance. The preliminary underwater experimental results demonstrated that the proposed bio-inspired bi-stable piezoelectric could effectively converter fish swing motions into electricity. 17.25 mJ energy was obtained within 130 s under the peak-to-peak swing angle of 30o at 1.5 Hz in the capacitor charging experiments.

Qian, Feng↗

An externally and internally deformable, programmable lung motion phantom

Purpose: Most clinically deployed strategies for respiratory motion management in lung radiotherapy (e.g., gating and tracking) use external markers that serve as surrogates for tumor motion. However, typical lung phantoms used to validate these strategies are based on a rigid exterior and a rigid or a deformable-interior. Such designs do not adequately represent respiration because the thoracic anatomy deforms internally as well as externally. In order to create a closer approximation of respiratory motion, the authors describe the construction and experimental testing of an externally as well as internally deformable, programmable lung phantom. Methods: The outer shell of a commercially available lung phantom (RS-1500, RSD, Inc.) was used. The shell consists of a chest cavity with a flexible anterior surface, and embedded vertebrae, rib-cage and sternum. A custom-made insert was designed using a piece of natural latex foam block. A motion platform was programmed with sinusoidal and ten patient-recorded lung tumor trajectories. The platform was used to drive a rigid foam “diaphragm” that compressed/decompressed the phantom interior. Experimental characterization comprised of determining the reproducibility and the external–internal correlation of external and internal marker trajectories extracted from kV x-ray fluoroscopy. Experiments were conducted to illustrate three example applications of the phantom—(i) validating the geometric accuracy of the VisionRT surface photogrammetry system; (ii) validating an image registration tool, NiftyReg; and (iii) quantifying the geometric error due to irregular motion in four-dimensional computed tomography (4DCT). Results: The phantom correctly reproduced sinusoidal and patient-derived motion, as well as realistic respiratory motion-related effects such as hysteresis. The reproducibility of marker trajectories over multiple runs for sinusoidal as well as patient traces, as characterized by fluoroscopy, was within 0.25 mm RMS error. The motion trajectories of internal and external radio-opaque markers as measured by fluoroscopy were found to be highly correlated (R > 0.95). Using the phantom, it was demonstrated that the motion trajectories of regions-of-interest on the surface as measured by VisionRT are highly consistent with corresponding fluoroscopically acquired surface marker trajectories, with RMS errors within 0.26 mm. Furthermore, it was shown that the trajectories of external and internal marker trajectories derived from NiftyReg deformation vector fields were within 1 mm root mean square errors comparing to trajectories obtained by segmenting markers from individual fluoro frames. Finally, it was shown that while 4DCT can be used to localize internal markers for sinusoidal motion with reasonable accuracy, the localization error increases significantly (by a factor of ∼2) in the presence of cycle-to-cycle variations that are observed in patient-derived respiratory motion. Conclusions: The authors have developed a realistic externally and internally deformable, programmable lung phantom that will serve as a valuable tool for clinical and investigational motion management studies in thoracic and abdominal radiation therapies.

60 APPLIED LIFE SCIENCES↗

Biotic Interactions Are More Important than Propagule Pressure in Microbial Community Invasions

ABSTRACT Microbial probiotics are intended to improve functions in diverse ecosystems, yet probiotics often fail to establish in a preexisting microbiome. This is a species invasion problem. The relative importance of the two major factors controlling establishment in this context—propagule pressure (inoculation dose and frequency) and biotic interactions (composition of introduced and resident communities)—is unknown. We tested the effect of these factors in driving microbial composition and functioning following 12 microbial community invasions (e.g., introductions of many microbial invaders) in microcosms. Ecosystem functioning over a 30-day postinvasion period was assessed by measuring activity (respiration) and environment modification (dissolved organic carbon abundance). To test the dependence on environmental context, experiments were performed in two resource environments. In both environments, biotic interactions were more important than propagule pressure in driving microbial composition and community function, but the magnitude of effect varied by environment. Successful invaders comprised approximately 8% of the total number of operational taxonomic units (OTUs). Bacteria were better invaders than fungi, with average relative abundances of 7.4% ± 6.8% and 1.5% ± 1.4% of OTUs, respectively. Common bacterial invaders were associated with stress response traits. The most resilient bacterial and fungal families, in other words, those least impacted by invasions, were linked to antimicrobial resistance or production traits. Illuminating the principles that determine community composition and functioning following microbial invasions is key to efficient community engineering. IMPORTANCE With increasing frequency, humans are introducing new microbes into preexisting microbiomes to alter functioning. Example applications include modification of microflora in human guts for better health and those of soil for food security and/or climate management. Probiotic applications are often approached as trial-and-error endeavors and have mixed outcomes. We propose that increased success in microbiome engineering may be achieved with a better understanding of microbial invasions. We conducted a microbial community invasion experiment to test the relative importance of propagule pressure and biotic interactions in driving microbial community composition and ecosystem functioning in microcosms. We found that biotic interactions were more important than propagule pressure in determining the impact of microbial invasions. Furthermore, the principles for community engineering vary among organismal groups (bacteria versus fungi).

59 BASIC BIOLOGICAL SCIENCES↗

Propagation of microwave beams through the stagnation zone in an inhomogeneous plasma

A study is made of the microwave beam evolution due to passing through the stagnation zone, where the group velocity vanishes, thus making the paraxial approximation for the wavefield inappropriate. An extension to the standard beam tracing technique is suggested that allows one to calculate the microwave beam parameters on either branch of its path apart from the stagnation zone, omitting the calculation of the wavefield inside it. Application examples of the extended technique are presented for the case of microwave reflection from the upper hybrid resonance layer in a tokamak plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Turbulence and Control of Wind Farms

The dynamics of the turbulent atmospheric boundary layer play a fundamental role in wind farm energy production, governing the velocity field that enters the farm as well as the turbulent mixing that regenerates energy for extraction at downstream rows. Understanding the dynamic interactions among turbines, wind farms, and the atmospheric boundary layer can therefore be beneficial in improving the efficiency of wind farm control approaches. Anticipated increases in the sizes of new wind farms to meet renewable energy targets will increase the importance of exploiting this understanding to advance wind farm control capabilities. This review discusses approaches for modeling and estimation of the wind farm flow field that have exploited such knowledge in closed-loop control, to varying degrees. We focus on power tracking as an example application that will be of critical importance as wind farms transition into their anticipated role as major suppliers of electricity. The discussion highlights the benefits of including the dynamics of the flow field in control and points to critical shortcomings of the current approaches.

Automation & Control Systems↗

From Intermolecular Interaction Energies and Observable Shifts to Component Contributions and Back Again: A Tale of Variational Energy Decomposition Analysis

Quantum chemistry in the form of density functional theory (DFT) calculations is a powerful numerical experiment for predicting intermolecular interaction energies. However, no chemical insight is gained in this way beyond predictions of observables. Energy decomposition analysis (EDA) can quantitatively bridge this gap by providing values for the chemical drivers of the interactions, such as permanent electrostatics, Pauli repulsion, dispersion, and charge transfer. These energetic contributions are identified by performing DFT calculations with constraints that disable components of the interaction. This review describes the second-generation version of the absolutely localized molecular orbital EDA (ALMO-EDA-II). The effects of different physical contributions on changes in observables such as structure and vibrational frequencies upon complex formation are characterized via the adiabatic EDA. Example applications include red- versus blue-shifting hydrogen bonds; the bonding and frequency shifts of CO, N 2 , and BF bound to a [Ru(II)(NH 3 ) 5 ] 2 + moiety; and the nature of the strongly bound complexes between pyridine and the benzene and naphthalene radical cations. Additionally, the use of ALMO-EDA-II to benchmark and guide the development of advanced force fields for molecular simulation is illustrated with the recent, very promising, MB-UCB potential.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Parallel Element Agglomeration Multilevel Monte Carlo Library (ParELAGMC)

ParELAGMC is a parallel distributed memory C++ library for multilevel Monte Carlo (MLMC) simulations with algebraically constructed coarse spaces for estimating statistical moments of a quantity of interest involving solutions of partial differential equations with uncertain coefficients. A primary focus of the library is the scalable generation of Gaussian random fields using a novel stochastic PDE (SPDE) sampling technique for large-scale simulations. A key feature in the SPDE sampling technique is a novel non-matching mesh embedding technique to mitigate artificial boundary artifacts that are inherent in the method. Example applications to uncertainty quantification of subsurface flow simulations in the mixed finite element setting are provided as well.

Osborn, SarahV.↗

vis-react-components

In developing visualizations for different data sets, the end solution often become dependent on the data being visualized. This causes engineers to have to re-develop many common components multiple times. The vis-react components library was designed to help enable creating visualizations that are independent of the underlying data. This library utilizes the React.js pattern of instantiating components that may be re-used. The library exposes an example application that allows other developers to understand how to use the components in the library.

Richardson, GregoryD↗