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At least 919 records · Page 51

Data Processing for the SNS EQ-SANS Diffractometer

The scattering data on the Extended Q-Range Small Angle Scattering Diffractometer at the Spallation Neutron Source are stored as neutron events. Each event has two parts: the time of fight of the detected neutron, and an identifier for the neutron's location on the detector. In addition, each event is associated with the source pulse from which the neutron is originated. Due to the high neutron beam intensity at the SNS, the size of the stored data files can easily exceed several Gigabytes. Processing and reducing these data can be very time consuming. The standard way of handling the data at the SNS has been to first transform the data into histograms. On the EQ-SANS, these histograms are further processed into intensity I vs. neutron momentum transfer Q files, I(Q). For a large data, the whole process can take many minutes to hours to complete, which severely limits the turnaround time of an experiment. Experimenters often want to reduce the data quickly and depending on the result, make decisions on the setup of next measurements. They may also need to reduce the data using different inputs and conditions. In this work, we present the implementation of a fast data processing scheme for the EQ-SANS diffractometer. The scattering data are processed directly from neutron event files into I(Q) or other desired formats, greatly reducing the needed computation time. Further speed gains are obtained by the implementation of parallel computing under the Message Passing Interface framework. Most data on the EQ-SANS can now be handled in mere seconds. The process is highly automated. All relevant experimental information that is stored in instrument configuration files are read and processed. In addition, the new implementation is highly flexible. All the data corrections and handlings can be controlled transparently through user inputs. Finally, software implementation enables the slicing of neutron event, which can be used for the study of time dependent phenomena.

Data Processing↗

A Modified Model Dielectric Function for Analyzing Optical Spectra of InGaN Nanofilms on Sapphire Substrates

Due to a lower InN bandgap energy Eg~0.7 eV, InxGa1−xN/Sapphire epifilms are considered valuable in the development of low-dimensional heterostructure-based photonic devices. Adjusting the composition x and thickness d in epitaxially grown films has offered many possibilities of light emission across a wide spectral range, from ultraviolet through visible into near-infrared regions. Optical properties have played important roles in making semiconductor materials useful in electro-optic applications. Despite the efforts to grow InxGa1−xN/Sapphire samples, no x- and d-dependent optical studies exist for ultrathin films. Many researchers have used computationally intensive methods to study the electronic band structures Ejk→, and subsequently derive optical properties. By including inter-band transitions at critical points from Ejk→, we have developed a semiempirical approach to comprehend the optical characteristics of InN, GaN and InxGa1−xN. Refractive indices of InxGa1−xN and sapphire substrate are meticulously integrated into a transfer matrix method to simulate d- and x-dependent reflectivity RE and transmission TE spectra of nanostructured InxGa1−xN/Sapphire epifilms. Analyses of RE and TE have offered accurate x-dependent shifts of energy gaps for InxGa1−xN (x = 0.5, 0.7) in excellent agreement with the experimental data.

Talwar, Devki N. (ORCID:0000000202723195)↗

Small-angle X-ray scattering: a bridge between RNA secondary structures and three-dimensional topological structures

Whereas the structures of small to medium-sized well folded RNA molecules often can be determined by either X-ray crystallography or NMR spectroscopy, obtaining structural information for large RNAs using experimental, computational, or combined approaches remains a major interest and challenge. RNA is very sensitive to small-angle X-ray scattering (SAXS) due to high electron density along phosphate-sugar backbones, whose scattering contribution dominates SAXS intensity. For this reason, SAXS is particularly useful in obtaining global RNA structural information that outlines backbone topologies and, therefore, molecular envelopes. Such information is extremely valuable in bridging the gap between the secondary structures and three-dimensional topological structures of RNAmolecules, particularly those that have proven difficult to study using other structuredetermination methods. Here we review published results of RNA topological structures derived from SAXS data or in combination with other experimental data, as well as details on RNA sample preparation for SAXS experiments.

59 BASIC BIOLOGICAL SCIENCES↗

GANALYZER: A TOOL FOR AUTOMATIC GALAXY IMAGE ANALYSIS

We describe Ganalyzer, a model-based tool that can automatically analyze and classify galaxy images. Ganalyzer works by separating the galaxy pixels from the background pixels, finding the center and radius of the galaxy, generating the radial intensity plot, and then computing the slopes of the peaks detected in the radial intensity plot to measure the spirality of the galaxy and determine its morphological class. Unlike algorithms that are based on machine learning, Ganalyzer is based on measuring the spirality of the galaxy, a task that is difficult to perform manually, and in many cases can provide a more accurate analysis compared to manual observation. Ganalyzer is simple to use, and can be easily embedded into other image analysis applications. Another advantage is its speed, which allows it to analyze {approx}10,000,000 galaxy images in five days using a standard modern desktop computer. These capabilities can make Ganalyzer a useful tool in analyzing large data sets of galaxy images collected by autonomous sky surveys such as SDSS, LSST, or DES. The software is available for free download at http://vfacstaff.ltu.edu/lshamir/downloads/ganalyzer, and the data used in the experiment are available at http://vfacstaff.ltu.edu/lshamir/downloads/ganalyzer/GalaxyImages.zip.

79 ASTRONOMY AND ASTROPHYSICS↗

Angular power spectrum of the diffuse gamma-ray emission as measured by the Fermi Large Area Telescope and constraints on its dark matter interpretation

The isotropic gamma-ray background arises from the contribution of unresolved sources, including members of confirmed source classes and proposed gamma-ray emitters such as the radiation induced by dark matter annihilation and decay. Clues about the properties of the contributing sources are imprinted in the anisotropy characteristics of the gamma-ray background. We use 81 months of Pass 7 Reprocessed data from the Fermi Large Area Telescope to perform a measurement of the anisotropy angular power spectrum of the gamma-ray background. Here, we analyze energies between 0.5 and 500 GeV, extending the range considered in the previous measurement based on 22 months of data. We also compute, for the first time, the cross-correlation angular power spectrum between different energy bins. The derived angular spectra are compatible with being Poissonian, i.e. constant in multipole. Furthermore, the energy dependence of the anisotropy suggests that the signal is due to two populations of sources, contributing, respectively, below and above ~ 2 GeV . Finally, using data from state-of-the-art numerical simulations to model the dark matter distribution, we constrain the contribution from dark matter annihilation and decay in Galactic and extra-Galactic structures to the measured anisotropy. These constraints are competitive with those that can be derived from the average intensity of the isotropic gamma-ray background.

79 ASTRONOMY AND ASTROPHYSICS↗

Experimental study of multiple-orientation muon tomography with image optimization in sparse data environments

Due to the high penetrating power of cosmic-ray muons, they can be used to probe very thick and dense objects. As muons are charged particles, they can be tracked by ionization detectors, determining the position and direction of the muons. With detectors on either side of an object to measure particle direction change, scattering information within the object can be found. This can be used to produce a scattering-intensity image within the object related to density and atomic number. Such imaging is typically performed with a single detector-object orientation, taking advantage of the more intense downward flux of muons, producing planar imaging with some depth-of-field information in the third dimension. Several simulation studies were published with multiorientation tomography, which can form a three-dimensional representation faster than a single-orientation view. In this study, experimental muon-scatter-based tomography was performed using a concrete filled steel drum with several different metal wedges inside, with the drum between detector planes. Data were collected from different detector-object orientations by rotating the steel drum. The data collected from each orientation were combined using two different tomographic methods. A traditional inverse Radon transform approach used for computed tomography and a combination of multiple depth-of-field reconstructions were applied to the data. As cosmic-ray muon flux imaging is rate limited, the imaging techniques were compared for sparse data. Using the combined depth-of-field reconstruction technique, fewer detector-object orientations were needed to reconstruct images that could be used to differentiate the metal wedges.

47 OTHER INSTRUMENTATION↗

Massively parallel X-ray scattering simulations

Although present X-ray scattering techniques can provide tremendous information on the nano-structural properties of materials that are valuable in the design and fabrication of energy-relevant nano-devices, a primary challenge remains in the analyses of such data. In this paper we describe a high-performance, flexible, and scalable Grazing Incidence Small Angle X-ray Scattering simulation algorithm and codes that we have developed on multi-core/CPU and many-core/GPU clusters. We discuss in detail our implementation, optimization and performance on these platforms. Our results show speedups of ~125x on a Fermi-GPU and ~20x on a Cray-XE6 24-core node, compared to a sequential CPU code, with near linear scaling on multi-node clusters. To our knowledge, this is the first GISAXS simulation code that is flexible to compute scattered light intensities in all spatial directions allowing full reconstruction of GISAXS patterns for any complex structures and with highresolutions while reducing simulation times from months to minutes.

Sarje, Abhinav↗

Feedstock Carbon Intensity Calculator (FD-CIC) Users’ Manual and Technical Documentation

A transparent and easy-to-use tool for feedstock-specific, farm-level CI calculation of feedstocks is helpful. With the ARPA-E support, we have developed a tool–the Feedstock Carbon Intensity Calculator (FD-CIC). The first version of FD-CIC was released with the GREET® model in 2020 (Wang et al., 2020) so that corn feedstock producers could use this publicly available tool (https://greet.es.anl.gov/tool_fd_cic) to quantify corn grain CIs with farm-level input data and management practices. In the 2021 version, we expand the tool’s capabilities by including additional feedstocks such as soybeans, sorghum, and rice. Similar to corn, it calculates the farm-level CI for these feedstocks by allowing user-defined farm-level farming inputs and incorporating the GHG emission intensities of these inputs from GREET (in particular, GREET1, the fuel cycle model of GREET).

09 BIOMASS FUELS↗

Skewering the silos: using Brick to enable portable analytics, modeling and controls in buildings

Nearly all large commercial buildings have heating, ventilation and air conditioning (HVAC) systems, lighting systems, safety and other systems controlled by a computer—a dedicated server with a building energy management system (BMS). However, these BMSs are proprietary with each building’s assets (that is, fans, valves, pumps, and their setpoints) named and coded uniquely by the BMS vendor or engineer; building analytics and control algorithms are written specific to the assets and the building. Thus, any control updates or analytics to improve building performance—especially critical to reduce greenhouse emissions or improve load flexibility—are labor intensive and costly. The Brick schema was developed so the same analysis or control algorithms can work on a variety of buildings if each is digitally represented in a Brick data model. The goal of this project was to further the development of Brick to extend it beyond an academic project with demonstrated success in a small field study, to a practical choice for industrial and commercial stakeholders seeking to realize value from building data. To do this, we executed four objectives: (1) expand the Brick schema including its modeling capabilities and vocabulary, (2) develop tools for integrating Brick with existing digital technologies and representations in buildings, (3) develop an open-source analytics platform to facilitate use of Brick in delivering data value, and (4) demonstrate Brick-driven analytics and controls in real settings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

The effects of digital elevation model resolution on the calculation and predictions of topographic wetness indices.

One of the largest exports in the Southeast U.S. is forest products. Interest in biofuels using forest biomass has increased recently, leading to more research into better forest management BMPs. The USDA Forest Service, along with the Oak Ridge National Laboratory, University of Georgia and Oregon State University are researching the impacts of intensive forest management for biofuels on water quality and quantity at the Savannah River Site in South Carolina. Surface runoff of saturated areas, transporting excess nutrients and contaminants, is a potential water quality issue under investigation. Detailed maps of variable source areas and soil characteristics would therefore be helpful prior to treatment. The availability of remotely sensed and computed digital elevation models (DEMs) and spatial analysis tools make it easy to calculate terrain attributes. These terrain attributes can be used in models to predict saturated areas or other attributes in the landscape. With laser altimetry, an area can be flown to produce very high resolution data, and the resulting data can be resampled into any resolution of DEM desired. Additionally, there exist many maps that are in various resolutions of DEM, such as those acquired from the U.S. Geological Survey. Problems arise when using maps derived from different resolution DEMs. For example, saturated areas can be under or overestimated depending on the resolution used. The purpose of this study was to examine the effects of DEM resolution on the calculation of topographic wetness indices used to predict variable source areas of saturation, and to find the best resolutions to produce prediction maps of soil attributes like nitrogen, carbon, bulk density and soil texture for low-relief, humid-temperate forested hillslopes. Topographic wetness indices were calculated based on the derived terrain attributes, slope and specific catchment area, from five different DEM resolutions. The DEMs were resampled from LiDAR, which is a laser altimetry remote sensing method, obtained from the USDA Forest Service at Savannah River Site. The specific DEM resolutions were chosen because they are common grid cell sizes (10m, 30m, and 50m) used in mapping for management applications and in research. The finer resolutions (2m and 5m) were chosen for the purpose of determining how finer resolutions performed compared with coarser resolutions at predicting wetness and related soil attributes. The wetness indices were compared across DEMs and with each other in terms of quantile and distribution differences, then in terms of how well they each correlated with measured soil attributes. Spatial and non-spatial analyses were performed, and predictions using regression and geostatistics were examined for efficacy relative to each DEM resolution. Trends in the raw data and analysis results were also revealed.

09 BIOMASS FUELS↗

Suite of Comprehensive Rapid Analysis Tools for Estimation (SOCRATES) - 19076

Long-term monitoring and remedy implementation require ongoing assessment and analytics, much of which relies on intensive and time-consuming data integration and engineering, data manipulation, and 'big-data' analytics. Many of these analyses, such as groundwater flow direction, contaminant rate attenuation, and non-parametric statistics, are spatial-temporal in nature and involve coalescing disparate data sets from a variety of sources with measurement frequencies from milliseconds to years, as well as total data volumes often exceeding the petabyte scale. Web-based analytical tools are advantageous for ongoing real-time or near-real-time ingestion of data from various sources for general data access and visualization, and also allow for complex, data rich calculations by leveraging expansive networks and virtually unlimited compute power. A web-based framework offers a natural architecture for such endeavors, as access to compute nodes through auto-scaling and dynamic frameworks enables speedy data manipulation and unlimited access to any data set that is made available via an http request. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Software and Hardware Development for the Mu2e Trigger and Data Acquisition System

The Mu2e experiment at Fermilab will be 10,000 times more sensitive than previous experiments looking for muon-to-electron conversion. This precise and complex experimental apparatus will produce 200 million billion muons per year. The accelerator complex repurposes elements of the infrastructure that produced high energy proton and anti-protons beams for the Tevatron experiments to produce the high-intensity muon beams necessary for Mu2e and the Muon (g-2) experiments.

43 PARTICLE ACCELERATORS↗

The cross-correlation between 21 cm intensity mapping maps and the Lyα forest in the post-reionization era

We investigate the cross-correlation signal between 21cm intensity mapping maps and the Lyα forest in the fully non-linear regime using state-of-the-art hydrodynamic simulations. The cross-correlation signal between the Lyα forest and 21cm maps can provide a coherent and comprehensive picture of the neutral hydrogen (HI) content of our Universe in the post-reionization era, probing both its mass content and volume distribution. We compute the auto-power spectra of both fields together with their cross-power spectrum at z = 2.4 and find that on large scales the fields are completely anti-correlated. This anti-correlation arises because regions with high (low) 21cm emission, such as those with a large (low) concentration of damped Lyα systems, will show up as regions with low (high) transmitted flux. We find that on scales smaller than k ≅ 0.2 h Mpc{sup −1} the cross-correlation coefficient departs from −1, at a scale where non-linearities show up. We use the anisotropy of the power spectra in redshift-space to determine the values of the bias and of the redshift-space distortion parameters of both fields. We find that the errors on the value of the cosmological and astrophysical parameters could decrease by 30% when adding data from the cross-power spectrum, in a conservative analysis. Our results point out that linear theory is capable of reproducing the shape and amplitude of the cross-power up to rather non-linear scales. Finally, we find that the 21cm-Lyα cross-power spectrum can be detected by combining data from a BOSS-like survey together with 21cm intensity mapping observations by SKA1-MID with a S/N ratio higher than 3 in k element of [0.06,1] h Mpc{sup −1}. We emphasize that while the shape and amplitude of the 21cm auto-power spectrum can be severely affected by residual foreground contamination, cross-power spectra will be less sensitive to that and therefore can be used to identify systematics in the 21cm maps.

79 ASTRONOMY AND ASTROPHYSICS↗

Raptor

Raptor is an efficient Python-based tool for predicting the formation and morphology of stochastic lack of fusion defects in metal AM processes. A major obstacle for the qualification and certification of additively manufactured parts in critical applications continues to be performance variability caused in part by porosity-related defects. High-fidelity process models that could predict these defect features are currently too computationally expensive for component-level analysis. To address this, Raptor employs a high-performance geometric method to model the dynamic melt pool rather than relying on computationally intensive thermal fluid dynamics. This allows Raptor to rapidly identify regions of unmelted material that correspond to lack of fusion pores. The efficiency of this approach significantly reduces the time and resources needed for generating 3D defect predictions, which enables users to conduct large-scale parameter studies and evaluate how process variations affect part quality. The framework offers operational flexibility; users can execute simulations through a simple command line interface or integrate core functions as a library within larger computational workflows. Simulation outputs include 3D porosity maps for visualization and tools for quantitative morphological analysis. These results are suitable for direct comparison with experimental characterization data from methods such as X-ray computed tomography and can be used for statistical process optimization.

Subraveti, Vamsi [Vanderbilt Univ., Nashville, TN ↗

The fast neutron fluence and the activation detector activity calculations using the effective source method and the adjoint function

This paper describes the application of effective source in forward calculations and the adjoint method to the solution of fast neutron fluence and activation detector activities in the reactor pressure vessel (RPV) and RPV cavity of a VVER-440 reactor. Its objective is the demonstration of both methods on a practical task. The effective source method applies the Boltzmann transport operator to time integrated source data in order to obtain neutron fluence and detector activities. By weighting the source data by time dependent decay of the detector activity, the result of the calculation is the detector activity. Alternatively, if the weighting is uniform with respect to time, the result is the fluence. The approach works because of the inherent linearity of radiation transport in non-multiplying time-invariant media. Integrated in this way, the source data are referred to as the effective source. The effective source in the forward calculations method thereby enables the analyst to replace numerous intensive transport calculations with a single transport calculation in which the time dependence and magnitude of the source are correctly represented. In this work, the effective source method has been expanded slightly in the following way: neutron source data were performed with few group method calculation using the active core calculation code MOBY-DICK. The follow-up neutron transport calculation was performed using the neutron transport code TORT to perform multigroup calculations. For comparison, an alternative method of calculation has been used based upon adjoint functions of the Boltzmann transport equation. Calculation of the three-dimensional (3-D) adjoint function for each required computational outcome has been obtained using the deterministic code TORT and the cross section library BGL440. Adjoint functions appropriate to the required fast neutron flux density and neutron reaction rates have been calculated for several significant points within the RPV and RPV cavity of the VVER-440 reacto rand located axially at the position of maximum power and at the position of the weld. Both of these methods (the effective source and the adjoint function) are briefly described in the present paper. The paper also describes their application to the solution of fast neutron fluence and detectors activities for the VVER-440 reactor. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Automated Assembly Progress Monitoring in Modular Construction Factories Using Computer Vision-Based Instance Segmentation

Modular construction has recently gained interest as a transformative construction method. In this method, a large portion of the construction is performed inside factories, where processes are fast-paced and interdependent; therefore, any deviation from the schedule can delay the production. Such deviations are frequent in modular factories due to the labor-intensive nature of the tasks. This propagation of delays can be mitigated by continuously monitoring each process; however, current manual monitoring methods are laborious, and recently proposed contact sensor-based methods are intrusive to the work. In addition, recent computer vision-based monitoring methods inside factories are limited to detection algorithms that fail to provide the pixel-level accuracy required for assembly progress monitoring in highly occluded factory scenes, and they require a large number of manual annotations. Therefore, this paper proposes a method to monitor the installation of subassemblies in modular construction factories using mask R-CNN instance segmentation and improves the data efficiency of the model using a copy-paste augmentation method. This method was validated on the CCTV videos captured from a modular construction factory in the US, resulting in a 9% mAP improvement in segmentation.

computer vision↗

Earth System Grid Center for Enabling Technologies (ESG-CET): A Data Infrastructure for Data-Intensive Climate Research

For the Earth System Grid Federation (ESGF), the ESG-CET team has led international development and delivered a production environment for managing and accessing ultrascale climate data. This production environment includes multiple national and international climate projects (e.g., Couple Model Intercomparison Project, Community Earth System Model), ocean model data (such as the Parallel Ocean Program), observation data (Carbon Dioxide Information and Analysis Center, Atmospheric Infrared Sounder, and so forth), and analysis and visualization tools, all of which serve a diverse community of users. These data holdings and services are distributed across multiple ESG-CET sites (such as LANL, LBNL, LLNL, NCAR, and ORNL) as well as at unfunded partners sites such as the Australian National University National Computational Infrastructure, the British Atmospheric Data Centre, the National Oceanic and Atmospheric Administration Geophysical Fluid Dynamics Laboratory, the Max Planck Institute for Meteorology, the German Climate Computing Centre, and the National Aeronautics and Space Administration Jet Propulsion Laboratory. More recently, ESG-CET has been extending services beyond data-file access and delivery to develop more detailed information products (scientific graphics, animations, etc.), secure binary data-access services (based upon the OPeNDAP protocol), and server-side analysis capabilities. These will allow users to request data subsets transformed through commonly used analysis and intercomparison procedures. As we transition from development activities to production and operations, the ESG-CET team is tasked with making data available to all users seeking to understand, process, extract value from, visualize, and/or communicate it to others. This ongoing effort, though daunting in scope and complexity, will greatly magnify the value of numerical climate model outputs and climate observations for future national and international climate-assessment reports. Continued ESGF progress will result in a production ultrascale data system for empowering scientists who attempt new and exciting data exchanges that could ultimately lead to breakthrough climate-science discoveries.

54 ENVIRONMENTAL SCIENCES↗

Inversion of dynamical Bragg intensities to complex structure factors by iterated projections. For Ultramic. 2020. ("Pico" Festschrift, May 2021)

We discuss a method for recovering complex structure factors from many simultaneously excited Bragg beam intensities is described. The method is applied to simulated transmission electron diffraction data over a wide range of crystal thickness and beam energies. The method is based on iterated projections between structure and scattering matrices, which are related by a matrix unitary transformation, exponential, which we invert. The algorithm removes multiple-scattering perturbations from diffraction data and might be extended to other fields, including X-ray and neutron diffraction and cryo-electron microscopy. Because coherent multiple scattering involves interference between Bragg beams, the method also solves the phase problem. Unlike dynamical inversion from electron microscope images or ptychography data, the method, which starts with Bragg beam intensities, provides complex structure factors unaffected by focusing errors or resolution limitations imposed by lenses. We provide inversions from simulated data with 441 simultaneously excited Bragg beams over a range of thickness and beam energy. We discuss the retrieval of chirality information from enantiomorphs, the efficient incorporation of symmetry information using the irreducible representation of the group of structure matrices, and the effect of HOLZ lines to provide three-dimensional information.

97 MATHEMATICS AND COMPUTING↗