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DOE OSTI2023

Empowering Scientific Discovery Through Computing at the Advanced Photon Source

This paper explores the challenges and solutions for managing and processing the vast amount of data generated by the Advanced Photon Source (APS), a synchrotron light source facility producing ultra-bright x-rays for diverse scientific domains. With 68 experimental beamlines covering materials research, biology, and more, the APS serves a wide user base across academia, government, and industry. The ongoing upgrade of the APS storage ring and installation of new instruments will amplify data generation and processing demands. This paper discusses the approach to address these demands through automated data processing using standardized workflows that produce faster scientific insights. The APS Data Management System coordinates various data related tasks to manage storage, data transfer, metadata cataloging, data processing, and interfaces with tools provided by Globus. Through integration with the Argonne Leadership Computing Facility (ALCF), APS users can efficiently access high-performance computing resources. Standardized workflows have led to reduced computational burdens on scientists and greater accessibility of high performance computing resources. We demonstrate how standardization and collaboration enable scientists to rapidly convert raw data into meaningful scientific results, establishing a streamlined path from data collection to analysis and ultimately to publication.

Parraga, Hannah↗

DOE OSTI2023

FrESCO: Framework for Exploring Scalable Computational Oncology

The National Cancer Institute (NCI) monitors population level cancer trends as part of its Surveillance, Epidemiology, and End Results (SEER) program. This program consists of state or regional level cancer registries which collect, analyze, and annotate cancer pathology reports. From these annotated pathology reports, each individual registry aggregates cancer phenotype information from electronic health records. This data is then used to create summary statistics about cancer incidence and mortality to facilitate population health monitoring. Extracting phenotypic information from these reports is a labor intensive task, requiring specialized knowledge about the reports and cancer. Automating the information extraction process from cancer pathology reports has the potential to improve data quality by extracting information in a consistent manner across registries. It can also improve patient outcomes by reducing the time from diagnosis, enabling rapid case ascertainment for clinical trials. Here we present FrESCO, a modular deep-learning natural language processing (NLP) library initially designed for extracting pathology information from clinical text documents. This repository is not solely limited to clinical medical text, but may also be used by researchers just getting started with NLP methods and those looking for a robust solution for their classification problems.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2015

High throughput CIGS solar cell fabrication via ultra-thin absorber layer with optical confinement and (Cd, CBD)-free heterojunction partner

The main objective of this proposal was to use several pathways to reduce the production cost of Cu(In,Ga)Se 2 (CIGS) PV modules and therefore the levelized cost of energy (LCOE) associated with this technology. Three high cost drivers were identified, nominally: 1) Materials cost and availability; 2) Large scale uniformity; 3) Improved throughput These three cost drivers were targeted using the following pathways: 1) Reducing the thickness of the CIGS layer while enhancing materials quality; 2) Developing and applying enhanced in-situ metrology via real time spectroscopic ellipsometry; 3) Looking into alternative heterojunction partner, back contact and anti-reflection (AR) coating Eleven main Tasks were then defined to achieve these goals (5 in Phase 1 and 6 in Phase 2), with 11 Milestones and 2 Go/No-go decision points at the end of Phase 1. The key results are summarized below

14 SOLAR ENERGY↗

DOE OSTI2023

Using Host Galaxy Photometric Redshifts to Improve Cosmological Constraints with Type Ia Supernovae in the LSST Era

We perform a rigorous cosmology analysis on simulated Type Ia supernovae (SNe Ia) and evaluate the improvement from including photometric host galaxy redshifts compared to using only the "z spec " subset with spectroscopic redshifts from the host or SN. We use the Deep Drilling Fields (~50 deg 2 ) from the Photometric LSST Astronomical Time-Series Classification Challenge (PLAsTiCC) in combination with a low-z sample based on Data Challenge2. The analysis includes light-curve fitting to standardize the SN brightness, a high-statistics simulation to obtain a bias-corrected Hubble diagram, a statistical+systematics covariance matrix including calibration and photo-z uncertainties, and cosmology fitting with a prior from the cosmic microwave background. Compared to using the z spec subset, including events with SN+host photo-z results in (i) more precise distances for z > 0.5, (ii) a Hubble diagram that extends 0.3 further in redshift, and (iii) a 50% increase in the Dark Energy Task Force figure of merit (FoM) based on the w 0 w a CDM model. Analyzing 25 simulated data samples, the average bias on w 0 and w a is consistent with zero. The host photo-z systematic of 0.01 reduces FoM by only 2% because (i) most z < 0.5 events are in the z spec subset, (ii) the combined SN+host photo-z has ×2 smaller bias, and (iii) the anticorrelation between fitted redshift and color self-corrects distance errors. To prepare for analyzing real data, the next SN Ia cosmology analysis with photo-zs should include non–SN Ia contamination and host galaxy misassociations.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1972

Film type SO-168 radiation study

Investigations were performed to determine optimum exposure and processing procedures necessary to partially offset the effect of radiation to which film type SO-168 will be exposed during the Skylab Mission. This task became necessary when it was determined that original predictions of 2 to 3 RADS of radiation to which the film will be exposed were too low, and that levels as high as 3.5 to 4.0 RADS may be incurred, thus reducing image quality below an acceptable level. Tests results show that forced processing of type SO-168 film tended to reduce the density range to an unusable level, and that processing to a lower ASA value would provide greater image quality for the user.

Pierce, W. N.↗

NASA NTRS2003

Analysis of Moessbauer Data from Mars: A Database and Artificial Neural Network for Identification of Iron-bearing Phases

The exploration of the planet Mars is one of the major goals within the Solar system exploration programs of the US-American space agency NASA and the European Space Agency ESA. In particular the search for water and life and understanding of the history of the surface and atmosphere will be the major tasks of the upcoming space missions to Mars. The miniaturized Moessbauer spectrometer MIMOS II has been selected for the NASA Mars-Exploration-Rover twin-mission to Mars in 2003 and the ESA 2003 Mars-Express Beagle 2 mission. Reduced in size and weight, in comparison to ordinary laboratory setup, the sensor head just weights approximately 400 g, with a volume of (50x50x90) cu mm, and holds two gamma-ray sources: the stronger for experiments and the weaker for calibrations. The collimator (in sample direction) also shields the primary radiation off the detectors. Around the drive four detectors are mounted. The detectors are made of Si-PIN-photodiodes in chip form (100 sq mm, thickness of 0.5 mm). The control unit is located in a separate electronics board. This board is responsible for the power supply, generation of the drive's velocity reference signal, read of the detector pulses to record the spectrum, data storage and communication with the host computer. After more than four decades from the discovery of the Moessbauer effect, more than 400 minerals were studied at different temperatures. Their Moessbauer parameters were reported in the literature, and have been recently collected in a data bank. Previous Mars-missions, namely Viking and Mars Pathfinder, revealed Si, Al, Fe, Mg, Ca, K, Ti, S and Cl to be the major constituents in soil and rock elemental composition of the red planet. More than 200 minerals already studied by Moessbauer spectroscopy contain significant amounts of these elements. A considerable number of Moessbauer studies were also carried out on meteorites and on Moon samples. Looking backward in the studies of the whole Moessbauer community, we have built a specific library containing Moessbauer parameters of those possible Mars minerals. The selected minerals, their Moessbauer parameter values (min. max. s.d and number of available data), main site substitution, behavior as a function of temperature and a ranking as expected to be found on Mars were organized. Mars-analogue Fe-bearing minerals not studied by Moessbauer spectroscopy are being collected and investigated. In addition, it an identification system based on Artificial Neural Networks (ANN) was implemented which enables fast and precise mineral identification from the experimental Moessbauer parameters at a given temperature.

P A de Souza Jr.↗

NASA NTRS2000

High-Temperature Superconductive Cabling Investigated for Space Solar Power Satellites

NASA has been directed by Congress to take a fresh look at the Space Solar Power (SSP) concept that was studied by the Department of Energy and NASA about 20 years ago. To summarize, the concept involves (1) collecting solar energy and converting it to electrical energy via photovoltaic arrays on satellites in Earth orbit, (2) conducting the electricity to the microwave transmitting portion of the satellite, and (3) transmitting the power via microwave transmitters (or possibly via lasers) to ground power station antennas located on the surface of the Earth. One Sun Tower SSP satellite concept is illustrated here. This figure shows many photovoltaic arrays attached to a "backbone" that conducts electricity down to a wireless transmitter, which is pointed toward the Earth. Other variations on this concept use multiple backbones to reduce the overall length of the satellite structure. In addition, non-Sun-Tower concepts are being considered. The objective of the work reported here was to determine the benefits to the SSP concept of using high-temperature superconductors (HTS) to conduct the electricity from the photovoltaic arrays to the wireless power transmitters. Possible benefits are, for example, reduced mass, improved efficiency, and improved reliability. Dr. James Powell of Plus Ultra Technologies, Inc., of Stony Brook, New York, is conducting the study, and it is being managed by the NASA Glenn Research Center at Lewis Field via a task-order contract through Scientific Applications International Corp. (SAIC).

Tew, Roy C.↗

NASA NTRS2006

Technology Development for Fire Safety in Exploration Spacecraft and Habitats

Fire during an exploration mission far from Earth is a particularly critical risk for exploration vehicles and habitats. The Fire Prevention, Detection, and Suppression (FPDS) project is part of the Exploration Technology Development Program (ETDP) and has the goal to enhance crew health and safety on exploration missions by reducing the likelihood of a fire, or, if one does occur, minimizing the risk to the mission, crew, or system. Within the past year, the FPDS project has been formalized within the ETDP structure and has seen significant progress on its tasks in fire prevention, detection, and suppression. As requirements for Constellation vehicles and, specifically, the CEV have developed, the need for the FPDS technologies has become more apparent and we continue to make strides to infuse them into the Constellation architecture. This paper describes the current structure of the project within the ETDP and summarizes the significant programmatic activities. Major technical accomplishments are identified as are activities planned for FY07.

Ruff, Gary A.↗

NASA NTRS2007

NASA's First Year Progress with Fuel Cell Advanced Development in Support of the Exploration Vision

NASA Glenn Research Center (GRC), in collaboration with Johnson Space Center (JSC), the Jet Propulsion Laboratory (JPL), Kennedy Space Center (KSC), and industry partners, is leading a proton-exchange-membrane fuel cell (PEMFC) advanced development effort to support the vision for Exploration. This effort encompasses the fuel cell portion of the Energy Storage Project under the Exploration Technology Development Program, and is directed at multiple power levels for both primary and regenerative fuel cell systems. The major emphasis is the replacement of active mechanical ancillary components with passive components in order to reduce mass and parasitic power requirements, and to improve system reliability. A dual approach directed at both flow-through and non flow-through PEMFC system technologies is underway. A brief overview of the overall PEMFC project and its constituent tasks will be presented, along with in-depth technical accomplishments for the past year. Future potential technology development paths will also be discussed.

Hoberecht, Mark↗

NASA NTRS2007

Technology Development for Fire Safety in Exploration Spacecraft and Habitats

Ruff, Gary A.↗

NASA NTRS2022

Electrodeionization Salt Removal from Water

This project developed a method to selectively extract sodium (Na) from complex, mission-relevant wastewaters using electricity as a driving force. The team investigated capacitive deionization (CDI), which has been used for general desalination but not for selective removal of Na. Three tasks supported this overall aim: designing and building a reactor and electrodes, engineering absorption and desorption parameters, and investigating varying water compositions and sources. Potential benefits of this approach include integrating into existing Environmental Control & Life Support Systems (ECLSS) treatment trains, reducing salinity for hydroponic installations, and producing food preservatives. Significant accomplishments, including building new reactors and characterizing their optimal operations and applications, advance the frontier of in-situ resource utilization for planetary habitation.

Luke Roberson↗

DOE OSTI2014

Compressed optimization of device architectures

Recent advances in nanotechnology have enabled researchers to control individual quantum mechanical objects with unprecedented accuracy, opening the door for both quantum and extreme- scale conventional computation applications. As these devices become more complex, designing for facility of control becomes a daunting and computationally infeasible task. Here, motivated by ideas from compressed sensing, we introduce a protocol for the Compressed Optimization of Device Architectures (CODA). It leads naturally to a metric for benchmarking and optimizing device designs, as well as an automatic device control protocol that reduces the operational complexity required to achieve a particular output. Because this protocol is both experimentally and computationally efficient, it is readily extensible to large systems. For this paper, we demonstrate both the bench- marking and device control protocol components of CODA through examples of realistic simulations of electrostatic quantum dot devices, which are currently being developed experimentally for quantum computation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2000

Overview of TPS Tasks

The objectives of the project summarized in this viewgraph presentation are the following: (1) Develop a lightweight and low cost durable Thermal Protection System (TPS) for easy application to reusable launch vehicle payload launchers; (2) Develop quickly processed composite TPS processing and repair techniques; and (3) Develop higher temperature capability tile TPS. The benefits of this technology include reduced installation and operations cost, enhanced payload capability resulting from TPS weight reduction, and enhanced flight envelope and performance resulting from higher temperature capability TPS which can result in improved safety.

Johnson, Sylvia M.↗

DOE OSTI2022

Exploring the potential of hydrogen in decarbonizing China's light-duty vehicle market

The Chinese government has pledged to achieve overall carbon neutrality by 2060. Currently, the transportation sector contributes to about 10% of total greenhouse gas (GHG) emissions in China. Hence, China has created a well-defined energy vehicle development strategy to reduce GHG emissions from the transportation sector, further expanding into hydrogen vehicle technologies. In this study, the Transportation Energy Analysis Model (TEAM) investigates the potential of hydrogen internal combustion engine vehicles (H2- ICEVs) and fuel cell vehicles (FCEVs) as a reliable pathway towards the government's aspiration of carbon neutrality in the transportation sector. According to TEAM, by adopting FCEVs and H2-ICEVs in the vehicle market, hydrogen demand could reach 25% of the total light-duty transportation energy demand in 2050. Consequently, this will lead to an annual reduction of more than 35 million tons GHG compared to only counting on the electrification pathway in the decarbonization task. Besides, FCEVs would take longer to penetrate the light-duty vehicle market compared to H2-ICEVs, as the current fuel cell technology still requires much improvement to attain a competitive vehicle cost of production.

Life cycle analysis↗

DOE OSTI2026

RU Net for Automatic Characterization of TRISO Fuel Cross Sections

TRistructural ISOtropic (TRISO) particle fuel is a type of nuclear fuel known for its high-temperature and high-burnup performance. Each sub-millimeter diameter TRISO particle consists of uranium-oxycarbide (UCO) or UO2 fuel kernel, coated with buffer, inner pyrolytic carbon (IPyC), silicon carbide (SiC), and outer pyrolytic carbon (OPyC) layers. The SiC layer acts as the main containment barrier for the TRISO particle to retain the fission products, while the IPyC and OPyC layers provide additional barriers to the release of fission products, especially fission gases. During irradiation, phenomena like kernel swelling, buffer densification, and IPyC fracture may impact fuel performance. Post-irradiation microscopy on entire compact cross sections or samples of individual particles deconsolidated from compacts is often used to identify these irradiation-induced changes in morphology. However, each fuel compact generally contains thousands of TRISO particles. To get statistical information on these phenomena, it is cumbersome work if done manually. For example, to get information about swelling/densification behaviors of different layers or kernels after irradiation, researchers previously manually measured the perimeter of each TRISO layer in hundreds of particles after four rounds of iterative grinding and polishing encompassing more than 2000 cross-section images for a total of four fuel compacts. To attempt to reduce the subjectivity inherent in that process and accelerate data analysis, we conducted a study on the automatic TRISO layer segmentation on cross-sectional microscopic images using Convolutional Neural Networks (CNNs). CNNs are a class of machine learning algorithms specifically designed for processing structured grid data that have gained popularity in recent years due to their remarkable performance in various computer vision tasks, including image classification, object detection, and image segmentation. In this research, we have generated the large irradiated TRISO layer dataset with more than 2000 cross-section TRISO microscopic images and the corresponding annotated images. Based on these annotated images, we have employed different CNNs for automatic segmentation of different TRISO layers. These include RU-Net (developed in this study), as well as three existing architectures: U-Net, Residual Network (ResNet), and Attention U-Net. The preliminary results show that the model based on RU-Net has the best performance in terms of intersection-over-union (IoU). Through the aid of these CNN models, we can expedite the analysis of TRISO particle cross-sections, significantly reducing the manual labor involved and improving the objectivity of the segmentation results.

Convolutional Neural Networks↗

DOE OSTI2020

Super resolution for root imaging

Premise High‐resolution cameras are very helpful for plant phenotyping as their images enable tasks such as target vs. background discrimination and the measurement and analysis of fine above‐ground plant attributes. However, the acquisition of high‐resolution images of plant roots is more challenging than above‐ground data collection. An effective super‐resolution (SR) algorithm is therefore needed for overcoming the resolution limitations of sensors, reducing storage space requirements, and boosting the performance of subsequent analyses. Methods We propose an SR framework for enhancing images of plant roots using convolutional neural networks. We compare three alternatives for training the SR model: (i) training with non‐plant‐root images, (ii) training with plant‐root images, and (iii) pretraining the model with non‐plant‐root images and fine‐tuning with plant‐root images. The architectures of the SR models were based on two state‐of‐the‐art deep learning approaches: a fast SR convolutional neural network and an SR generative adversarial network. Results In our experiments, we observed that the SR models improved the quality of low‐resolution images of plant roots in an unseen data set in terms of the signal‐to‐noise ratio. We used a collection of publicly available data sets to demonstrate that the SR models outperform the basic bicubic interpolation, even when trained with non‐root data sets. Discussion The incorporation of a deep learning–based SR model in the imaging process enhances the quality of low‐resolution images of plant roots. We demonstrate that SR preprocessing boosts the performance of a machine learning system trained to separate plant roots from their background. Our segmentation experiments also show that high performance on this task can be achieved independently of the signal‐to‐noise ratio. We therefore conclude that the quality of the image enhancement depends on the desired application.

Ruiz‐Munoz, Jose F.↗

DOE OSTI2020

Acquisition and Implementation of a Comprehensive Environmental Permits Linking Tool at Savannah River Site - 20234

Historically, Savannah River Nuclear Solutions LLC (SRNS) tracked environmental regulatory commitments and the requirements from hundreds of permits at the Savannah River Site (SRS) using several separate methods, making integrated compliance assurance cumbersome and labor-intensive. When SRNS experienced an increase in environmental issues in 2017, SRNS management and U.S. Department of Energy - Savannah River (DOE-SR) management decided a single, proactive approach was needed to capture environmental permit information (including regulations, Consent Orders, DOE Orders, and any other state or federally issued statement of requirements), track the tasks necessary to ensure compliance with these requirements, and thereby mitigate the risk of noncompliance. SRNS developed a list of mandatory objectives that the tool must meet to function as a Comprehensive Environmental Permits Linking Tool (CEPLT). A key requirement was the ability to map Site permits to their governed locations and display the associated requirements at the compliance point (e.g., outfall, stack, waste unit, etc.). Several options included modifying existing onsite resources, building a custom onsite solution, purchasing an off-the-shelf solution, and contracting an offsite developer to build a custom solution. SRNS concluded an off-the-shelf solution with configuration and customization options would provide the flexibility to fit the unique needs of Savannah River Site (SRS) while taking advantage of industry-tested software and providing a reduced deployment timeline. SRNS chose Gensuite{sup R} a, a cloud-based solution that offers numerous a la carte applications in the environmental, health, and safety arenas, as the best candidate. SRNS selected three (3) integrated applications (Compliance Calendar, Permit Manager, and Mapper) to function as the CEPLT. The Compliance Calendar module allows for creation and tracking of regulatory commitment tasks assigned to responsible environmental professionals. Permit Manager organizes permits and other requirement documents, linking the commitments in each to Compliance Calendar tasks and/or implementing procedures. Mapper provides GIS capability for mapping the data from the other two modules to their physical onsite locations. The CEPLT was configured to allow for other SRS Site Tenants to eventually utilize the applications. Additionally, DOE-SR uses the CEPLT to provide an overview of contractor environmental compliance activities and to organize DOE-specific documents and tasks. The CEPLT fulfilled the requirement of meeting current compliance needs as well as providing the ability to grow as new organizations are incorporated and functionality is expanded. SRNS now uses the CEPLT to more effectively manage permit requirements, improve knowledge transfer, and increase the Site's overall protection of the environment, the Site worker, and the public. Possible future uses of the system include integration of mobile applications for timely communication of potential non-compliant conditions and DOE complex-wide deployment allowing for enhanced DOE site and Head Quarters oversight. Implementation of CEPLT will result in cost savings, both in terms of dollars and man-hours. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS2000

Flying Qualities Evaluation of a Commuter Aircraft With an Ice Contaminated Tailplane

During the NASA/FAA (Federal Aviation Administration) Tailplane Icing Program, pilot evaluations of aircraft flying qualities were conducted with various ice shapes attached to the horizontal tailplane of the NASA Twin Otter Icing Research Aircraft. Initially, only NASA pilots conducted these evaluations, assessing the differences in longitudinal flight characteristics between the baseline or clean aircraft, and the aircraft configured with an Ice Contaminated Tailplane (ICT). Longitudinal tests included Constant Airspeed Flap Transitions, Constant Airspeed Thrust Transitions, zero-G Pushovers, Repeat Elevator Doublets, and Simulated Approach and Go-Around tasks. Later in the program, guest pilots from government and industry were invited to fly the NASA Twin Otter configured with a single full-span artificial ice shape attached to the leading edge of the horizontal tailplane. This shape represented ice formed due to a 'Failed Boot' condition, and was generated from tests in the Glenn Icing Research Tunnel on a full-scale tailplane model. Guest pilots performed longitudinal handling tests, similar to those conducted by the NASA pilots, to evaluate the ICT condition. In general, all pilots agreed that longitudinal flying qualities were degraded as flaps were lowered, and further degraded at high thrust settings. Repeat elevator doublets demonstrated reduced pitch damping effects due to ICT, which is a characteristic that results in degraded flying qualities. Pilots identified elevator control force reversals (CFR) in zero-G pushovers at a 20 deg flap setting, a characteristic that fails the FAR 25 no CFR certification requirement. However, when the same pilots used the Cooper-Harper rating scale to perform a simulated approach and go-around task at the 20 deg flap setting, they rated the airplane as having Level I and Level II flying qualities respectively. By comparison, the same task conducted at the 30 deg flap setting, resulted in Level II flying qualities for the approach portion, and Level III for the go-around portion.The results of this program indicate that safe and acceptable flying qualities with an ICT condition, can be effectively assessed by task-oriented pilot maneuvers. In addition, other maneuvers such as repeat elevator doublets provide good qualitative and quantitative assessments of pitch damping and elevator effectiveness, which are characteristics that correlate well with pilot task ratings. The results of this testing indicate that the FAR 25 zero-G pushover maneuver, which requires no CFR during its execution, may be an overly conservative pass/fail criteria for aircraft certification.

Ranaudo, Richard J.↗