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DOE OSTI2019

A Multi-band Catalog of 10978 Star Clusters, Associations, and Candidates in the Milky Way

We present a catalog of Galactic star clusters, associations and candidates with 10978 entries. This multi-band catalog was constructed over 20 years, starting with visual inspections on the Digital Sky Survey and incremented with the 2MASS, WISE, VVV, Spitzer, and Herschel surveys. Large and small catalogs, as well as papers on individual objects have been systematically cross-identified. The catalog provides Galactic and equatorial coordinates, angular diameters, and chronologically ordered designations, making it simple to assign discoveries and verify how often the objects were cataloged by different authors, search methods, and/or surveys. Detection in a single band is the minimum constraint to validate an entry. About 3200 objects have measured parameters in the literature. A fundamental contribution of the present study is to present an additional ≈7700 objects for the first analyses of nature, photometry, spectroscopy and structure. The present focus is not to compile or determine fundamental parameters, but to provide a catalog uniformly characterizing the entries. A major result is that now 4234 embedded clusters are cataloged, a factor of ≈1.5 larger than open clusters. In addition to cross-identifications in different references and wavelength domains, we also communicate the discovery of 638 star clusters and similar objects. The present general catalog provides previously studied objects and thousands of additional entries in a homogeneous way, a timely contribution to Gaia-related works.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2013

Lighting energy savings potential of split-pane electrochromic windows controlled for daylighting with visual comfort

A simulation study was conducted to evaluate lighting energy savings of split-pane electrochromic (EC) windows controlled to satisfy key visual comfort parameters. Using the Radiance lighting simulation software, interior illuminance and luminance levels were computed for a south-facing private office illuminated by a window split into two independently-controlled EC panes. The transmittance of these was optimized hourly for a workplane illuminance target while meeting visual comfort constraints, using a least-squares algorithm with linear inequality constraints. Blinds were successively deployed until visual comfort criteria were satisfied. The energy performance of electrochromics proved to be highly dependent on how blinds were controlled. With hourly blind position adjustments, electrochromics showed significantly higher (62percent and 53percent, respectively without and with overhang) lighting energy consumption than clear glass. With a control algorithm designed to better approximate realistic manual control by an occupant, electrochromics achieved significant savings (48percent and 37percent, respectively without and with overhang). In all cases, energy consumption decreased when the workplace illuminance target was increased. In addition, the fraction of time during which the occupant had an unobstructed view of the outside was significantly greater with electrochromics: 10 months out of the year versus a handful of days for the reference case.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2015

Technical Note: Immunohistochemical evaluation of mouse brain irradiation targeting accuracy with 3D-printed immobilization device

Purpose: Small animal immobilization devices facilitate positioning of animals for reproducible imaging and accurate focal radiation therapy. In this study, the authors demonstrate the use of three-dimensional (3D) printing technology to fabricate a custom-designed mouse head restraint. The authors evaluate the accuracy of this device for the purpose of mouse brain irradiation. Methods: A mouse head holder was designed for a microCT couch using CAD software and printed in an acrylic based material. Ten mice received half-brain radiation while positioned in the 3D-printed head holder. Animal placement was achieved using on-board image guidance and computerized asymmetric collimators. To evaluate the precision of beam localization for half-brain irradiation, mice were sacrificed approximately 30 min after treatment and brain sections were stained for γ-H2AX, a marker for DNA breaks. The distance and angle of the γ-H2AX radiation beam border to longitudinal fissure were measured on histological samples. Animals were monitored for any possible trauma from the device. Results: Visualization of the radiation beam on ex vivo brain sections with γ-H2AX immunohistochemical staining showed a sharp radiation field within the tissue. Measurements showed a mean irradiation targeting error of 0.14 ± 0.09 mm (standard deviation). Rotation between the beam axis and mouse head was 1.2° ± 1.0° (standard deviation). The immobilization device was easily adjusted to accommodate different sizes of mice. No signs of trauma to the mice were observed from the use of tooth block and ear bars. Conclusions: The authors designed and built a novel 3D-printed mouse head holder with many desired features for accurate and reproducible radiation targeting. The 3D printing technology was found to be practical and economical for producing a small animal imaging and radiation restraint device and allows for customization for study specific needs.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2023

Micromovements and discomfort associated with flight mission with helmet operation tasks with different levels of cognitive workload

When performing stationary tasks under elevated cognitive workload, individuals must perform continual muscle contractions to maintain stability of the body, resulting in fatigue of the postural muscles. When the muscles perform these contractions in a prolonged manner, the body potentially responds through small changes in body movements—micromovements that may lead to discomfort. The study purpose was to evaluate impact of cognitive load on micromovements. The micromovements were measured during three different cognitive workloads; low, medium, and high. The NASA-TLX score was used to evaluate the perceived mental workload and discomfort was assessed by visual analog scale. In total, 60 subjects (30 males and 30 females) were recruited and performed cognitive tasks that simulated flight operations such as changing the radio frequency based on air traffic control messages, balancing the fuel levels in simulated fuel tanks, and aiming a reticle in a designated moving target using the cyclic control. Cognitive load was defined by the frequency of events. Micromovements were defined by changes in the center of pressure (COP) of the seat pan and COP standard deviation. It was found that the high cognitive workloads had the highest NASA-TLX scores including mental demands, temporal demands, and effort. The neck area had the highest overall levels of discomfort followed by upper back. The highest standard deviation for COP shift and number of micromovements occurred for medium cognitive workloads. In conclusion, while there were some interesting trends, few trends reached a statistical significance due to high variability among subjects for the outcome variables.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2020

Genetic circuit characterization by inferring RNA polymerase movement and ribosome usage

To perform their computational function, genetic circuits change states through a symphony of genetic parts that turn regulator expression on and off. Debugging is frustrated by an inability to characterize parts in the context of the circuit and identify the origins of failures. Here, we take snapshots of a large genetic circuit in different states: RNA-seq is used to visualize circuit function as a changing pattern of RNA polymerase (RNAP) flux along the DNA. Together with ribosome profiling, all 54 genetic parts (promoters, ribozymes, RBSs, terminators) are parameterized and used to inform a mathematical model that can predict circuit performance, dynamics, and robustness. The circuit behaves as designed; however, it is riddled with genetic errors, including cryptic sense/antisense promoters and translation, attenuation, incorrect start codons, and a failed gate. While not impacting the expected Boolean logic, they reduce the prediction accuracy and could lead to failures when the parts are used in other designs. Finally, the cellular power (RNAP and ribosome usage) required to maintain a circuit state is calculated. This work demonstrates the use of a small number of measurements to fully parameterize a regulatory circuit and quantify its impact on host.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

PAVC: The foundation for a Pan-Arctic Vegetation Cover database

Field-measured Arctic vegetation cover data is essential for creating accurate, high-quality vegetation structure and composition maps. Extrapolating field data into high-resolution cover maps provides detailed, function-specific information for use in Earth System Models, vegetation classifications, and monitoring vegetation change over time and space. However, field campaigns that collect plant cover vary substantially in scope, method, and purpose, which makes them difficult to unify across data stores, and they are often not designed to meet remote sensing needs. In this work, we synthesized and harmonized field-based fractional cover data from various data stores to create a high-quality, consistent repository schema for remote sensing-based vegetation cover mapping applications. We developed a reproducible workflow for synthesizing visual estimate and point-intercept fractional cover data. The resultant Pan-Arctic Vegetation Cover (PAVC) database contains synthesized fractional cover at both the species and plant functional type levels. The latter includes absolute foliar cover for deciduous shrubs and trees, evergreen shrubs and trees, forbs, graminoids, lichen, bryophytes, and “other” vegetation, as well as absolute cover for litter and top cover for water and bare ground.

Steckler, Morgan R. [Oak Ridge National Laboratory↗

DOE OSTI2019

Nozzle tip wetting in gasoline direct injection injector and its link with nozzle internal flow

Fuel film in the gasoline direct injection injector tip, or so-called nozzle tip wetting, has been found to be an important contributor of particle emissions. Attempts have been made to reduce the nozzle tip wetting by optimizing nozzle geometry designs. However, the inherent mechanism of the nozzle tip wetting formation and its link with nozzle internal flow is still unclear yet due to the lack of direct observations. To overcome this insufficiency, here the nozzle internal flow and the formation process of the nozzle tip wetting were visualized in the real-scale aluminum nozzles using the X-ray phase-contrast technique. Results showed that the needle bouncing, injection pressure, and hole configuration affect the formation of the nozzle tip wetting, while the influence of needle bouncing is the most critical. A further study was conducted to examine the effect of nozzle counterbore diameter on the nozzle tip wetting. It was found that with an increase in counterbore diameter, the nozzle tip wetting slightly increased first and then decreased sharply after the counterbore diameter exceeded 0.40 mm. The mechanisms of the aforementioned phenomena were discussed in detail, which can contribute to the better understandings and control strategies of nozzle tip wetting.

42 ENGINEERING↗

DOE OSTI2017

Enhancing reproducibility in scientific computing: Metrics and registry for Singularity containers

Here we present Singularity Hub, a framework to build and deploy Singularity containers for mobility of compute, and the singularity-python software with novel metrics for assessing reproducibility of such containers. Singularity containers make it possible for scientists and developers to package reproducible software, and Singularity Hub adds automation to this workflow by building, capturing metadata for, visualizing, and serving containers programmatically. Our novel metrics, based on custom filters of content hashes of container contents, allow for comparison of an entire container, including operating system, custom software, and metadata. First we will review Singularity Hub’s primary use cases and how the infrastructure has been designed to support modern, common workflows. Next, we conduct three analyses to demonstrate build consistency, reproducibility metric and performance and interpretability, and potential for discovery. This is the first effort to demonstrate a rigorous assessment of measurable similarity between containers and operating systems. We provide these capabilities within Singularity Hub, as well as the source software singularity-python that provides the underlying functionality. Singularity Hub is available at https://singularity-hub.org, and we are excited to provide it as an openly available platform for building, and deploying scientific containers.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

Nondestructive Examination Guidance for Dry Storage Casks

In this report, an assessment of NDE methods is performed for components of NUHOMS 80 and 102 dry storage system components in an effort to assist NRC staff with review of license renewal applications. The report considers concrete components associated with the horizontal storage modules (HSMs) as well as metal components in the HSMs. In addition, the report considers the dry shielded canister (DSC). Scope is limited to NDE methods that are considered most likely to be proposed by licensees. The document, ACI 349.3R, Evaluation of Existing Nuclear Safety-Related Concrete Structures, is used as the basis for the majority of the NDE methods summarized for inspecting HSM concrete components. Two other documents, ACI 228.2R, Nondestructive Test Methods for Evaluation of Concrete in Structures, and ORNL/TM-2007/191, Inspection of Nuclear Power Plant Structure--Overview of Methods and Related Application, supplement the list with additional technologies that are considered applicable. For the canister, the ASME B&PV Code is used as the basis for NDE methods considered, along with currently funded efforts through industry (Electric Power Research Institute [EPRI]) and the U.S. Department of Energy (DOE) to develop inspection technologies for canisters. The report provides a description of HSM and DSC components with a focus on those aspects of design considered relevant to inspection. This is followed by a brief description of other concrete structural components such as bridge decks, dams, and reactor containment structures in an effort to facilitate comparison between these structures and HSM concrete components and infer which NDE methods may work best for certain HSM concrete components based on experience with these other structures. Brief overviews of the NDE methods are provided with a focus on issues and influencing factors that may impact implementation or performance. An analysis is performed to determine which NDE methods are most applicable to specific components.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2020

A Parallel Computing Infrastructure for Building Energy Simulation

In order to study grid-interactive efficient buildings, Pacific Northwest National Laboratories (PNNL) needs an infrastructure for urban-scale building energy modeling. Such an infrastructure should be fast, scalable, and easy-to-use. Given a set of data from the Energy Information Administration’s Commercial Building Energy Consumption Survey (CBECS) and tool to translate survey data into simulation inputs, this project aimed to conduct the simulation of the entire dataset in parallel. Before running the simulations, the necessary software was bundled into a container for use on the PNNL supercomputing network. Then, the parallel simulation workflow was designed using GNU Make, a file creation software, and submitted to a supercomputing partition which could run hundreds of simulations simultaneously. The EnergyPlus simulations output hourly electric meter data for each CBECS sample, which represents the electricity consumption of similar commercial buildings across the United States. Analyzing and visualizing the meter data is important to the future of the work, and this project wrote code to make common analysis methods simple, fast, and accessible. Moving forwards, the model will need to be expanded to include data from other sources and its accuracy will need to be improved and eventually validated.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2024

Circuit QED Pulse Control Interface

The Circuit Quantum Electrodynamics (Circuit QED) Pulse Control Interface provides a robust platform for designing and testing control signals in transmon-cavity systems. Utilizing a PyQt5-based drag-and-drop GUI, this tool facilitates the implementation of two key protocols: Selective Number-dependent Arbitrary Phase (SNAP)-Displacement and Echoed Conditional Displacement (ECD). It offers real-time pulse visualization and supports CSV exports and imports for integrating custom signals, thereby enhancing circuit QED experimental workflows. Simulations performed using QuTiP confirm the high fidelity of quantum state preparations and the effectiveness of the implemented controls. Future developments will focus on interfacing the tool with hardware and enhancing signal generation accuracy.

Lin, Yuqing↗

DOE OSTI2019

INL High-Performance and Sustainable Building Strategy

High-performance buildings are reliable, cost-effective, and sustainable structures that minimize energy and water use, reduce solid waste and pollutant emissions, and limit the depletion of natural resources while also providing a thermally and visually comfortable working environment that increases productivity for building occupants. As Idaho National Laboratory (INL) is the nation’s premier nuclear energy research laboratory, the physical infrastructure requires continual updating and re-purposing to help accomplish that mission. INL’s infrastructure must incorporate high-performance sustainable design features to be fiscally responsible and reflect an image of innovation to the public and prospective employees. INL is a large consumer of energy with annual energy costs exceeding $9M. In the current fiscal reality and with energy costs constantly increasing, this High-Performance and Sustainable Building Strategy will help engineering and construction project teams design facilities that are sustainable and will help to reduce life-cycle operating costs while providing INL employees with a safe and healthy working environment. With these goals in mind, the recommendations described in this document are intended to form INL’s foundation for sustainable and high-performance building standards. This strategy incorporates the latest federal and Department of Energy (DOE) orders and directives including Executive Order (EO) 13834, “Efficient Federal Operations” and its associated implementing instructions, DOE Order 436.1, “Departmental Sustainability,” the DOE Sustainability Report and Implementation Plan (SRIP), the INL Site Sustainability Plan (SSP), and Code of Federal Regulations (CFR). This document identifies the requirements of the Guiding Principles for Sustainable Federal Buildings (Guiding Principles) and briefly highlights the requirements of Leadership in Energy and Environmental Design (LEED®) Gold certification. LEED Gold certification, while optional, can be used to meet many of the requirements of the Guiding Principles.

13834↗

DOE OSTI2026

A fresh perspective on the role of band bending, and related contributors, in light-driven production of electricity and chemicals

It is widely known that semiconductor-based solar energy conversion could power our planet. This is in part because high-quality semiconductor structures are unrivalled in their ability to separate photogenerated electrons and holes. One effective approach to achieving this photoinduced charge separation relies on a phenomenon known as “band bending”. But details to justify why band bending results in photoinduced charge separation are more complex than often appreciated. This underappreciation is an impediment to the rational, hypothesis-driven design of next-generation approaches to solar energy conversion. Herein we show, by means of derivations rooted in physical chemistry, that several phenomena – not just band bending – can facilitate photoinduced charge separation, and that each is influenced by nonequilibrium species concentration and a parameter, such as diffusion coefficient or rate coefficient, that introduces dynamics. To help visualize the impact of each phenomenon, we introduce plots that depict their contributions as free energy, force, flux, force constant, and rate. We reveal that spatial dopant distributions that define band bending are predictors of initial photogenerated species transport rates. But charge separation alone does not guarantee high-efficiency operation. A photogenerated change in energy that is freely available to do useful work is also essential, and is strongly dependent on semiconductor optical properties and reaction kinetics. Notably, this information reveals that specificity of interfacial chemical reactions – even when they are not preceded by charge separation elsewhere – can result in efficient solar energy conversion. We expect that this tutorial will guide researchers in their pursuit to uncover new mechanisms for light to perform useful work.

14 SOLAR ENERGY↗

DOE OSTI2012

Generalized Nuclear Data: A New Structure (with Supporting Infrastructure) for Handling Nuclear Data

The Evaluated Nuclear Data File (ENDF) format was designed in the 1960s to accommodate neutron reaction data to support nuclear engineering applications in power, national security and criticality safety. Over the years, the scope of the format has been extended to handle many other kinds of data including charged particle, decay, atomic, photo-nuclear and thermal neutron scattering. Although ENDF has wide acceptance and support for many data types, its limited support for correlated particle emission, limited numeric precision, and general lack of extensibility mean that the nuclear data community cannot take advantage of many emerging opportunities. More generally, the ENDF format provides an unfriendly environment that makes it difficult for new data evaluators and users to create and access nuclear data. The Cross Section Evaluation Working Group (CSEWG) has begun the design of a new Generalized Nuclear Data (or 'GND') structure, meant to replace older formats with a hierarchy that mirrors the underlying physics, and is aligned with modern coding and database practices. In support of this new structure, Lawrence Livermore National Laboratory (LLNL) has updated its nuclear data/reactions management package Fudge to handle GND structured nuclear data. Fudge provides tools for converting both the latest ENDF format (ENDF-6) and the LLNL Evaluated Nuclear Data Library (ENDL) format to and from GND, as well as for visualizing, modifying and processing (i.e., converting evaluated nuclear data into a form more suitable to transport codes) GND structured nuclear data. GND defines the structure needed for storing nuclear data evaluations and the type of data that needs to be stored. But unlike ENDF and ENDL, GND does not define how the data are to be stored in a file. Currently, Fudge writes the structured GND data to a file using the eXtensible Markup Language (XML), as it is ASCII based and can be viewed with any text editor. XML is a meta-language, meaning that it has a primitive set of definitions for representing hierarchical data/text in a file. Other meta-languages, like HDF5 which stores the data in binary form, can also be used to store GND in a file. In this paper, we will present an overview of the new GND data structures along with associated tools in Fudge.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

Entropy-driven melting point depression in fcc HEAs

High Entropy Alloys (HEAs) are an increasingly dominant alloy design paradigm. The premise of entropic stabilization of single-phase alloys has motivated much of the research on HEAs. Chemical complexity may indeed help stabilize single alloy phases relative to other lower-entropy competing solid phases. Paradoxically, this complexity may de-stabilize these alloys against the liquid phase, potentially limiting the application space of HEAs at elevated temperatures. In this work, we carry out a comprehensive investigation of the phase stability in the fcc CoCrFeMnNiV-Al HEA space using a state of the art CALPHAD database. By using modern visualization techniques and statistical analysis we examine the trade-off between chemical complexity and stability against the liquid state and identify a potentially difficult to overcome barrier for development of high temperature alloys, at least within the conventional fcc HEA space. Here, limited experimental data seem to be consistent with this analysis.

36 MATERIALS SCIENCE↗

DOE OSTI2013

Design Optimization of Innovative High-Level Waste Pipeline Unplugging Technologies - 13341

Florida International University (FIU) is currently working on the development and optimization of two innovative pipeline unplugging methods: the asynchronous pulsing system (APS) and the peristaltic crawler system (PCS). Experiments were conducted on the APS to determine how air in the pipeline influences the system's performance as well as determine the effectiveness of air mitigation techniques in a pipeline. The results obtained during the experimental phase of the project, including data from pipeline pressure pulse tests along with air bubble compression tests are presented. Single-cycle pulse amplification caused by a fast-acting cylinder piston pump in 21.8, 30.5, and 43.6 m pipelines were evaluated. Experiments were conducted on fully flooded pipelines as well as pipelines that contained various amounts of air to evaluate the system's performance when air is present in the pipeline. Also presented are details of the improvements implemented to the third generation crawler system (PCS). The improvements include the redesign of the rims of the unit to accommodate a camera system that provides visual feedback of the conditions inside the pipeline. Visual feedback allows the crawler to be used as a pipeline unplugging and inspection tool. Tests conducted previously demonstrated a significant reduction of the crawler speed with increasing length of tether. Current improvements include the positioning of a pneumatic valve manifold system that is located in close proximity to the crawler, rendering tether length independent of crawler speed. Additional improvements to increase the crawler's speed were also investigated and presented. Descriptions of the test beds, which were designed to emulate possible scenarios present on the Department of Energy (DOE) pipelines, are presented. Finally, conclusions and recommendations for the systems are provided. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

Carbohydrate-Containing Conjugated Polymers: Solvent-Resistant Materials for Greener Organic Electronics

Organic semiconducting polymers are exciting materials for electronic applications because of their good mechanical and optoelectronic properties. A major advantage of organic semiconductors is their solution processability. This allows access to a variety of simple and cost-effective device fabrication methods compared to the expensive, high-temperature processing methods required for silicon-based electronics. However, these materials often have low solubility, which limits their processing to toxic halogenated solvents. Also, their limited solubility often leads to interfacial mixing during device fabrication. Herein, this work explores the incorporation of environmentally friendly carbohydrate side chains in conjugated polymers to enhance processability in eco-friendly solvents. Moreover, a mild postprocessing treatment was designed to enable solvent resistance. Isoindigo-based polymers with varied ratios of acetyl-protected galactose side chains were synthesized to improve solubility in o-anisole in the protected state, while inducing solvent resistance through intramolecular hydrogen bonding in the deprotected state. Solvent resistance was confirmed both visually upon submersion in various solvents and using UV–visible spectroscopy. Importantly, the mild basic treatment to achieve solvent resistance has no negative impact on the electronic performance of these materials in organic field-effect transistors, even after subsequent submersion in various solvents, making them a valuable platform for the production of green processable multilayer electronics.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Strym: A Python Package for Real-time CAN Data Logging, Analysis and Visualization to Work with USB-CAN Interface

In this report, we describe a data analysis tool developed for decoding and analyzing vehicle data obtained from a passenger vehicle’s onboard controller area network (CAN) bus. The tool developed in this paper provides a timeseries framework to perform domain-specific analysis at scale when interpreting data from a vehicle or a collection of vehicles in light of how to design intelligent vehicle applications. The tool, called Strym, exploits the CAN bus mechanism of modern vehicles to capture data using commercially available CAN-to-USB hardware Comma.ai Panda devices, managed through open-source software Libpanda. Strym permits the decoding of vendor-specific CAN messages in a vehicle-agnostic manner. Through this, a researcher can characterize data throughput, assess data quality, and perform analyses. Such analyses are useful in a number of research such as studying human driving behavior in mixed-autonomy, new driver models, rare-event detection, traffic flow estimation, and custom control of vehicles.

Performance evaluation, Smart cities, Intelligent ↗