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At least 109 records · Page 6

RETRO RX

RETRO Rx is an R&D 100 Gold Award-winning suite of tools that provides a new class of analytics in the space between traditional epidemiological models and unanalyzed spreadsheets of data. Unlike traditional models, these tools provide analysts, scientists, practitioners, and decision makers a way to easily and effectively do sophisticated analyses using a simple user interface. AIDO guides users at the early stages of a disease outbreak by comparing the current parameters to historic outbreaks. RED Alert constructs a broad historical picture of disease incidence (recent outbreak included) to detect disease reemergence at its earliest stages, locally and globally. RETRO Rx compiles data and presents analysis in a clear, concise visual format to support disease mitigation and prevention planning. Both are available currently as web-based apps. A prototype of the RED Alert mobile app with enhanced functionality is available for beta testing and AIDO mobile app development is planned.

59 BASIC BIOLOGICAL SCIENCES↗

Development and Commercialization of an IDAES-Based Power Plant Performance Monitoring and Optimization System

DOE and NETL have created an advanced, open-source computational platform through the Institute for the Design of Advanced Energy Systems (IDAES). The IDAES platform is a very extensive modeling environment that can be used for a broad range of power plant and process applications. MapEx Software is developing and commercializing a software application that makes it easier to set-up and run IDAES-based analyses. The MapEx-developed software application will replace the need for custom Python language coding with a user-friendly graphical user interface where the user can construct a flowsheet diagram of the IDAES model by inserting icons representing the plant equipment onto the screen. This application will make the implementation of modeling and optimization of existing fossil-fired power plants more straight-forward and less time-consuming. The effort focuses on performance monitoring and optimization of plant operations for the existing coal-fired power plant fleet but is built on a structure that allows expansion into the broad range of applications where IDAES methods may be applied.

20 FOSSIL-FUELED POWER PLANTS↗

Online Interactive Platform for COVID-19 Literature Visual Analytics: Platform Development Study

Background Papers on COVID-19 are being published at a high rate and concern many different topics. Innovative tools are needed to aid researchers to find patterns in this vast amount of literature to identify subsets of interest in an automated fashion. Objective We present a new online software resource with a friendly user interface that allows users to query and interact with visual representations of relationships between publications. Methods We publicly released an application called PLATIPUS (Publication Literature Analysis and Text Interaction Platform for User Studies) that allows researchers to interact with literature supplied by COVIDScholar via a visual analytics platform. This tool contains standard filtering capabilities based on authors, journals, high-level categories, and various research-specific details via natural language processing and dozens of customizable visualizations that dynamically update from a researcher’s query. Results PLATIPUS is available online and currently links to over 100,000 publications and is still growing. This application has the potential to transform how COVID-19 researchers use public literature to enable their research. Conclusions The PLATIPUS application provides the end user with a variety of ways to search, filter, and visualize over 100,00 COVID-19 publications.</:p>

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

AutoGen: World's Fastest Building Energy Model Creator - Text Replacement for Variables for EnergyPlus files

AutoGen is the world's fastest EnergyPlus input file generator based on a base input file and sets of input variables. It has a simple user interface where a user can specify the directories and names of base input EnergyPlus file, list of input parameters to vary and metrics with the range of input values and a directory where the files will be generated. AutoGen uses OpenMP API to generate a large number of input files. It takes a base EnergyPlus input files (or a group of base Energyplus input files) along with a text or excel file with an input parameter to be varied and sensitivity metrics (i.e. the range of each input variables) of the input variables. It then uses Open PMP to perform the parallelization to generate the EnergyPlus files for all the permutation and combinations if input carriables as per the sensitivity metrics file. With AutoGen millions of files can be generated within a few minutes.

Adams, Mark B↗

CO₂ Storage prospeCtive Resource Estimation Excel aNalysis (CO₂-SCREEN) User’s Manual

This user’s manual guides the use of the National Energy Technology Laboratory’s (NETL) CO₂ Storage prospeCtive Resource Estimation Excel aNalysis (CO₂-SCREEN) tool, which was developed to aid users screening geologic formations for prospective CO₂ storage resources. This manual is specific to the CO₂-SCREEN 4.0 version which is based in Python. CO₂-SCREEN applies U.S. Department of Energy (DOE) methods and equations for estimating prospective CO₂ storage resources for saline formations, shale formations, and residual oil zones (ROZ). CO₂-SCREEN was developed to be substantive and user-friendly and provide a consistent method for calculating prospective CO₂ storage resources. CO₂-SCREEN uses a Java based graphical user interface for data inputs and uses Python to calculate prospective CO₂ storage resources.

54 ENVIRONMENTAL SCIENCES↗

Refreshing Waste Tracking Software for the 2020's - 20059

The Waste Compliance and Tracking System (WCATS) is a software application designed to manage waste operations from cradle to grave. The system provides the support needed for characterization, generation, processing, and shipment of all waste generated or stored at Los Alamos National Laboratory (LANL). Waste is tracked with task records for containers in real-time via both desktop and mobile device applications. The software allows application administrators to configure sites with appropriate limits for Pu-239 equivalent Curies (PE-Ci), fissile gram equivalents (FGEs), volume limits, as well as custom limits for site-specific technical safety requirements (TSRs). WCATS was developed based on a need at Los Alamos National Laboratory for a modern, customizable waste tracking system that could support many different waste types. The application is built using Oracle{sup R} database and Oracle{sup R} ADF Swing application framework. The technologies and software frameworks selected for the system were finalized in 2006. Although Oracle{sup R} Database has proven to be robust, the user interface and application framework interface with the database have been deprecated and need to be replaced. The technologies selected for modernization follow the open-source model, which allows the WCATS team to more easily recruit developers, improve the speed of development, and ease the deployment and adoption of the system. The tools that support the re-engineering effort are Vue.js{sup R}, a JavaScript{sup R} framework, and Spring Boot{sup R}, an API (application programming interface) development tool written in Java{sup R}. An API allows for simplified communication from the database to the user interface of the application. In addition, legacy Crystal Reports{sup R} will be replaced with reports developed with the open source Pentaho{sup TM}f Report Designer community edition. Because the application uses HTML and JavaScript{sup R}, it builds upon tools that have been used for many years in web development. These tools have large community support and their proven track record will ensure that enhancements to WCATS can continue for years to come. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Interactive Supercomputing With Jupyter

Rich user interfaces like Jupyter have the potential to make interacting with a supercomputer easier and more productive, consequently attracting new kinds of users and helping to expand the application of supercomputing to new science domains. For the scientist-user, the ideal rich user interface delivers a familiar, responsive, introspective, modular, and customizable platform upon which to build, run, capture, document, re-run, and share analysis workflows. From the provider or system administrator perspective, such a platform would also be easy to configure, deploy securely, update, customize, and support. Jupyter checks most if not all of these boxes. But from the perspective of leadership computing organizations that provide supercomputing power to users, such a platform should also make the unique features of a supercomputer center more accessible to users and more composable with high performance computing (HPC) workflows. Project Jupyter’s core design philosophy of extensibility, abstraction, and agnostic deployment, has allowed HPC centers like NERSC to bring in advanced supercomputing capabilities that can extend the interactive notebook environment. This has enabled a rich scientific discovery platform, particularly for experimental facility data analysis and machine learning problems.

97 MATHEMATICS AND COMPUTING↗

Xi-cam : a versatile interface for data visualization and analysis

Xi-cam is an extensible platform for data management, analysis and visualization. Xi-cam aims to provide a flexible and extensible approach to synchrotron data treatment as a solution to rising demands for high-volume/high-throughput processing pipelines. The core of Xi-cam is an extensible plugin-based graphical user interface platform which provides users with an interactive interface to processing algorithms. Plugins are available for SAXS/WAXS/GISAXS/GIWAXS, tomography and NEXAFS data. With Xi-cam 's `advanced' mode, data processing steps are designed as a graph-based workflow, which can be executed live, locally or remotely. Remote execution utilizes high-performance computing or de-localized resources, allowing for the effective reduction of high-throughput data. Xi-cam 's plugin-based architecture targets cross-facility and cross-technique collaborative development, in support of multi-modal analysis. Xi-cam is open-source and cross-platform, and available for download on GitHub.

Pandolfi, Ronald J. (ORCID:0000000308248548)↗

Summary of Information Available and Recommendations for a Doe Complex-Wide Waste Glass Database

The purpose of this document is to summarize the existing repositories of nuclear waste glass property-composition data produced for DOE. A framework is described for consolidation of the data into a single database. Recommended attributes of the consolidated database are provided, including quality assurance, the user interface, and means for updates and maintenance. Future work will utilize the framework described herein to produce the complex-wide database and establish the user interface.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Luminaires for Advanced Lighting in Education

Evolving education methods and greater use of technology in the classroom are dictating the need to rethink facility designs, including classroom lighting. Advances in LED-based lighting technology have created the possibility of lighting systems that are not only cost effective and energy efficient, but also color-tunable and as durable as other facility infrastructures (a 20-30 year life expectancy). Thus, there is the opportunity that the modern lighting system can be used by educators as a tool in their teaching strategy. To meet this need, RTI International and Finelite, Inc. teamed to develop and test the Next Generation Integrated Classroom Lighting System (NICLS). The NICLS technology incorporates a high performance, color-tunable light engine into new luminaire designs (e.g., pendant, direct-indirect, downlight, troffers) that are acceptable for use in classrooms. During this project, we successfully demonstrated that the NICLS technology achieves exceptional performance and exceeds all DOE goals for the classroom of the future, including: Luminous efficacy value for NICLS luminaires in excess of 125 lpw at all CCT values; TWL range of 2,700 K to 6,500 K while maintaining a CRI of 82 or higher at all values; Capability for full-range dimming (100% to 1%) at all CCT values with flicker levels below industry guidelines; Performance of the lighting system in a classroom mock-up, incorporating daylight and occupancy sensing to provide automatic control of lighting zones to further reduce energy consumption; Rated lifetime on the system exceeding 50,000 hours with a lumen maintenance of at least 85% at 50,000 hours; and Teacher-focused UI located at the front of the classroom to operate the lighting system. A smartphone-based UI is also available to accommodate teacher movement in the classroom. A critical element of developing this technology is designing the user interface to be compatible with modern teaching methods, including increased use of icons and colors and intuitive appearance. The design of the NICLS technology and the user interface was modified with assistance from focus groups consisting of more than 80 teachers and educational professionals total. The focus groups were held in a full-sized classroom that served as a technology demonstration site for the NICLS. The NICLS technology is an advanced lighting system for educational settings that meets or exceeds all DOE photometric, electrical, and reliability goals for the COF. The NICLS technology has been demonstrated at the classroom level, and the feedback from the dozens of teachers and educational professionals who visited the demonstration site has been overwhelmingly positive. NICLS provides a state-of-the-art lighting environment that adjusts the lighting conditions—both color and illuminance levels—to the needs of students and teachers for the task at hand. Early research has suggested that such lighting conditions will improve not only teacher effectiveness but also a student’s ability to concentrate on learning activities.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Software Requirements of SNAP for Editing MELCOR 2.2 Models

Applications of the severe accident analysis code MELCOR, developed for the U.S. Nuclear Regulatory Commission (NRC) by Sandia National Laboratories (SNL), have been supported by the graphical user-interface and post-processing suite Symbolic Nuclear Analysis Package (SNAP), developed for the NRC by Applied Programming Technology (APT). With the release of MELCOR 2.2, new user functionality and models have been introduced and an update to the SNAP MELCOR plugin user interface is necessary to access these new features. This document relates all new features introduced into MELCOR to the development team at APT as well as the NRC.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

RESolution Project Management Tool

The Resolution Project Management Tool is designed to provide a light, yet comprehensive, application to facilitate the management of scientific and research and development projects. The approach to the tool is minimalistic in nature; only require the minimum, essential information needed to facilitate the management of a project and display it in a simple, noncomplex format. The simple platform provides for the collaborative identification, monitoring and status of the essential elements of a project: scope, schedule, cost, risks, changes and reporting. Additionally, the tool provides the ability to create and monitor portfolios of projects without complex or over-burdensome user interfaces or data requirements. The novelty of the tool is the unique selectivity of the data required to manage a project combined with the simple and clear user interface.

Capps, Greg↗

Design Philosophy for Accelerator Control Rooms

This report describes the foundational human factors principles needed to design user interfaces for accelerator control rooms. These principles are presented as recommendations for accelerator control system interface design and are illustrated with examples drawn from accelerator operations at Fermi National Accelerator Laboratory (Fermilab). These high-level principles are intended to serve as design objectives that apply generally across all control system interfaces developed for the accelerator complex. This design philosophy document is a high-level roadmap to approach the general interface design for the accelerator complex. This philosophy applies state-of-the-art human factors principles and evidence-based design standards to an accelerator environment, which will transform the next era of accelerator interfaces as outlined by the Accelerator Controls Operations Research Network (ACORN) Project. Further work will include mapping the general design principles included in this report to more specific guidance in the form of a user interface style guide.

43 PARTICLE ACCELERATORS↗

APOLLO: a facility-scale differentiable virtual accelerator at Fermilab FAST/IOTA

As the design complexity of modern accelerators grows, there is more interest in using advanced simulations that have fast execution time or yield additional insights like gradients. The FAST/IOTA facility has been working on implementing and experimentally validating an end-to-end digital twin that is both fast and gradient-aware, allowing for rapid prototyping of new software and experiments with minimal beam time costs. Our framework integrates physics and ML codes for linac and ring simulation through a set of generic interfaces between surrogate and physics-based sections. To reproduce device inputs and outputs, system state is exposed as a deterministic event loop in a specialized discrete event simulator architecture. Because Fermilab is undergoing control system transition, several APIs were implemented as final user interfaces - a fully asynchronous EPICS soft IOC, a gRPC-based Data Pool Manager (DPM), and legacy ACNET protocols. We discuss implementation details as well as challenges handling live data assimilation and future plans to extend modelling to main complex proton accelerators like PIPII and Booster.

Kuklev, Nikita [Fermilab]↗

GROWdb US River Systems - Samples

GROW Overview We developed the Genome Resolved Open Watersheds database (GROWdb), which aims to increase genomic sampling and understanding of global river microbiomes. An emphasis of GROWdb is to create a publicly available and ever-expanding microbial genome database that is focused on rivers while being interoperable with databases from other ecosystems. GROWdb is based on a network-of-networks approach to move beyond a small collection of well-studied rivers, towards a spatially distributed, global network of systematic observations. GROWdb represents the first microbial, river-focused resource parsed at various scales from genes to MAGs to community level including expression and potential based measurements that will be of interest to microbiologists, ecologists, geochemists, hydrologists, and modelers. Dataset Acknowledgement GROWdb contains data from various research campaigns, please acknowledge the following data generators, as appropriate: WHONDRS derived genomes or samples - include this statement in your acknowledgements: “This study used data from the Worldwide Hydrobiogeochemistry Observation Network for Dynamic River Systems (WHONDRS) under the River Corridor Science Focus Area (SFA) at the Pacific Northwest National Laboratory (PNNL) that was generated at the U.S. Department of Energy (DOE) Joint Genome Institute User Facility. PNNL is operated by Battelle Memorial Institute for the U.S. DOE under Contract No. DE-AC05-76RL01830. The SFA is supported by the U.S. DOE, Office of Biological and Environmental Research (BER), Environmental System Science (ESS) Program.” Total Samples loaded onto this Narrative: 178 Note: Not all GROW samples may be loaded into KBase Data Availability The data underlying GROWdb are accessible across various platforms to ensure all levels of data structure are widely available. First, all reads and MAGs are publicly hosted on National Center for Biotechnology (NCBI) under Bioproject PRJNA946291. Second, all data related data presented here including MAG annotations, extended data tables, phylogenetic tree files, antibiotic resistance gene database files, and MAG abundance tables are available in Zenodo (link). Beyond the flat database files listed above, our aim for GROWdb was to maximize data use by making the data available in searchable and interactive platforms including the National Microbiome Data Collaborative (NMDC) data portal, the Department of Energy’s Systems Biology Knowledgebase (KBase), and a GROW specific user interface released here, GROWdb Explorer. Each platform provides different ways to interact with GROWdb: NMDC GROWdb formed a pilot project for the NMDC. Specifically, individual GROWdb datasets (metagenomes, metatranscriptomes, etc) are easily accessible and searchable through the NMDC data portal, where they are systematically connected to each other and to a rich suite of sample information and standard analysis results, following Findable, Accessible, Interoperable, and Reusable (FAIR) data practices. KBase GROWdb is publicly available within KBase, including samples (this Narrative), MAGs, and corresponding genome scale metabolic models. Access within KBase allows for immediate access and reuse of data, including comparison to private data using KBase’s 500+ analysis tools. Other linked narratives in KBase: GROW Metagenome Assembled Genomes (MAGs) GROW Metabolic Models GROWdb Explorer GROWdb data is also explorable through a graphical user interface built through the Colorado State University Geospatial Centroid (https://geocentroid.shinyapps.io/GROWdatabase/), allowing users to search and graph microbial and spatial data simultaneously. In summary, this microbial genome resource represents the first publicly available genome collection from rivers and offers data that can be leveraged across microbiome studies. GROWdb is an expanding repository to incorporate and unify global river multi-omic data for the future.

59 BASIC BIOLOGICAL SCIENCES↗

Hydropower Potential at Non-Powered Dams: A Multi-Criteria Decision Analysis Tool based on Grid, Community, Industry, and Environmental Impacts

Non-powered dams (NPDs) are dams that do not include hydraulic turbine (hydropower) equipment. Currently, there are more than 80,000 such dams in the United States, which provide a variety of non-energy benefits, including flood control, water supply, navigation, and recreation. Approximately 500 of these NPDs are identified as having the potential to add hydropower generation (totaling up to a capacity of more than 8200 MW). A large share of investment costs and environmental impacts of dam construction have already been incurred at these NPDs. Hence, adding power to the existing dam structure is hypothesized to be achieved at a lower cost, with less risk, and a shorter timeframe than the development required for new dam construction. The abundance of NPDs, the associated environmental favorability, and cost advantages, combined with the reliability, predictability, and dispatchability of hydropower, make NPDs a strong candidate in the nation’s renewable energy portfolio. To assess the NPD to hydropower conversion potential, in this study, we developed a GIS-based multi-criterial decision analysis tool, which allows users to rank these NPDs based on the grid, community, industry, and environmental impacts (i.e., GCIE impacts). This web-based interactive tool (developed using open-source Python and JavaScript) lets the user choose from a wide range of features to define each of the GCIE impact scores through a user-friendly graphical user interface. These features are related to dam operation, hydropower generation opportunity, power market economy, social vulnerability and risk, proximity to critical infrastructure and energy generating facilities, environmental concerns (air, water, and critical habitat), and exposure to natural hazards. The overall priority score of NPDs is calculated based on user-defined weights for each of the GCIE impact scores. Besides ranking NPDs, the tool can also be used to estimate the energy-storage feasibility (battery, hydrogen, and pump-storage hydropower) at each of the potential sites.

13 HYDRO ENERGY↗

VizBrick

Brick (https://brickschema.org/) is a unified metadata schema to address the problem of building data standardization. Creating Brick models for building datasets means that the contents of the datasets are semantically described using the standard terms defined in the Brick ontology, and it will enable the benefits of data standardization, without having to recollect or reorganize the data. The challenge is that building brick models for building datasets leads to repeated manual trial and error processes, which can be time-consuming. VizBrick is a tool with a graphic/Web-based user interface that can assist users to create Brick models visually and interactively without having to understand the Resource Description Framework (RDF) syntax. VizBrick contains a web server that renders VizBrick web interface pages for browsers. The web server utilizes software components that (1) provide Brick ontology entity mapping to data column suggestions to users so that they can efficiently create their model; (2) provide keyword/Metadata-based search capability for easy find of relevant brick concepts and relations to their data columns

Lee, Sangkeun [Oak Ridge National Lab. (ORNL), Oak↗

Rapid prototyping of arbitrary 2D and 3D wireframe DNA origami

Wireframe DNA origami assemblies can now be programmed automatically from the top-down using simple wireframe target geometries, or meshes, in 2D and 3D, using either rigid, six-helix bundle (6HB) or more compliant, two-helix bundle (DX) edges. While these assemblies have numerous applications in nanoscale materials fabrication due to their nanoscale spatial addressability and high degree of customization, no easy-to-use graphical user interface software yet exists to deploy these algorithmic approaches within a single, standalone interface. Further, top-down sequence design of 3D DX-based objects previously enabled by DAEDALUS was limited to discrete edge lengths and uniform vertex angles, limiting the scope of objects that can be designed. Here, we introduce the open-source software package ATHENA with a graphical user interface that automatically renders single-stranded DNA scaffold routing and staple strand sequences for any target wireframe DNA origami using DX or 6HB edges, including irregular, asymmetric DX-based polyhedra with variable edge lengths and vertices demonstrated experimentally, which significantly expands the set of possible 3D DNA-based assemblies that can be designed. ATHENA also enables external editing of sequences using caDNAno, demonstrated using asymmetric nanoscale positioning of gold nanoparticles, as well as providing atomic-level models for molecular dynamics, coarse-grained dynamics with oxDNA, and other computational chemistry simulation approaches.

59 BASIC BIOLOGICAL SCIENCES↗