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At least 253 records · Page 14

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↗

Device Access Abstractions for Resilient Information Architecture Platform for Smart Grid

An open application platform distributes the intelligence and control capability to local endpoints (or nodes) reducing total network traffic, improving speed of local actions by avoiding latency, and improving reliability by reducing dependencies on numerous devices and communication interfaces. The platform must be multi-tasking and able to host multiple applications running simultaneously. Given such a system, the core functions of power grid control systems include grid state determination, low level control, fault intelligence and reconfiguration, outage intelligence, power quality measurement, remote asset monitoring, configuration management, power and energy management (including local distributed energy resources, such as wind, solar and energy storage) can be eventually distributed. However, making this move requires extensive regression testing of systems to prove out new technologies, such as phasor measurement units (PMU). Additionally, as the complexity of the systems increase with the inclusion of new functionality (especially at the distribution and consumer levels), hidden coupling issues becomes a challenge with possible N-way interactions known and not known by device and application developers. Therefore, it is very important to provide core abstractions that ensure uniform operational semantics across such interactions. Here in this paper, we describe the pattern for abstracting device interactions we have developed for the RIAPS platform in the context of a microgrid control application we have developed.

24 POWER TRANSMISSION AND DISTRIBUTION↗

PUFFIn Software Modeling for Quality Management

PUFFIn (PENELOPE User Friendly Fast Interface) was designed as a fast and simple Monte Carlo simulation tool for the transport of photons and electrons, with a primary purpose as a learning and education tool for a broad range of static configurations in the radiation processing industry. Development of the PUFFIn software is funded by the Office of Radiological Security (ORS) within the United States National Nuclear Security Administration (NNSA). PUFFIn helps fill the education and knowledge gaps in the industry, as identified in reports by Fermilab (2017) and the IAEA (2020). PUFFIn uses the PENELOPE (NEA-2023) physics engine to perform simulations on static configurations. PUFFIn has support for multiple geometry types from simple, single material simulations to full 3D configurations created from CAD input files or images from X-Ray Tomography scans. PUFFin was designed to be easy for the novice user, it will generate the input and geometry files required by PENLOPE and will display the output plots within the PUFFIn interface. PUFFin is distributed for free but requires a free workshop so users can be adequately trained in its use. Workshops have been presented in the past at Texas A&M university, the Aerial-CRT facility in Strasbourg France and Jakarta Indonesia. PUFFIn simulations have been validated by 10 MeV ebeam experiments done at Aerial-CRT in France (Radiation Physics and Chemistry 222 (2024) 111774). Further user experimental comparisons were made at the medical product hands on workshop at Texas A&M in October 2024.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Population balance modeling of polyurethane foam formation with pressure‐dependent growth kernel

Abstract Polyurethane foams are widely used materials often chosen for their useful characteristics such as low thermal conductivity, ease of application, and high strength‐to‐weight ratios. Computational models are needed to predict the dynamics of the flow and expansion, and the resulting material properties, to improve manufacturing processes. In this paper, a model for PMDI, a water‐blown polyurethane foam, is presented. By extending a kinetics‐based approach by adding bubble‐scale information via a population balance equation (PBE) using the quadrature method of moments, we can track bubble size distributions during foaming. We present results from a three‐dimensional computational fluid dynamics model using arbitrary Lagrangian–Eulerian interface tracking implemented in finite element software. The model compares favorably with experimental data, including dynamics, bubble distributions measured by both camera and diffusion wave spectroscopy, and post‐test bubble size from scanning electron microscopy and density measurements from x‐ray computed tomography.

Ortiz, Weston↗

The INTERSECT Open Federated Architecture for the Laboratory of the Future

A federated instrument-to-edge-to-center architecture is needed to autonomously collect, transfer, store, process, curate, and archive scientific data and reduce human-in-the-loop needs with (a) common interfaces to leverage community and custom software, (b) pluggability to permit adaptable solutions, reuse, and digital twins, and (c) an open standard to enable adoption by science facilities world-wide. The Selfdriven Experiments for Science/Interconnected Science Ecosystem (INTERSECT) Open Architecture enables science breakthroughs using intelligent networked systems, instruments and facilities with autonomous experiments, “self-driving” laboratories, smart manufacturing and artificial intelligence (AI) driven design, discovery and evaluation. It creates an open federated architecture for the laboratory of the future using a novel approach, consisting of (1) science use case design patterns, (2) a system of systems architecture, and (3) a microservice architecture.

Engelmann, Christian↗

Quantitative analysis of total reflection X-ray fluorescence from finely layered structures using XeRay

Total reflection x-ray fluorescence (TXRF) is a widely applicable experimental technique for studying chemical element distributions across finely layered structures at extremely high sensitivity. To promote and facilitate scientific discovery using TXRF, we developed a MATLAB-based software package with a graphical user interface, named XeRay, for quick, accurate, and intuitive data analysis. XeRay lets the user model any layered system, each layer with its independent chemical composition and thickness, and enables fine-tuned data fitting. The accuracy of XeRay has been tested in the analysis of TXRF data from both air/liquid interface and liquid/liquid interfacial studies and has been compared to literature results. In an air/liquid interface study, Ca 2+ sequestration was measured at a Langmuir monolayer of 1-stearoyl-2-oleoyl-sn-glycero-3-phosphatidic acid (SOPA) on a buffer solution of 1 mM CaCl2 at pH 7.5. Data analysis with XeRay reveals that each 1 nm2 of interfacial area contains 2.38 ± 0.06 Ca 2+ ions, which corresponds to a 1:1 ratio between SOPA headgroups and Ca 2+ ions, consistent with several earlier reports. For the liquid/liquid interface study of Sr 2+ enrichment at the dodecane/surfactant/water interface, analysis using XeRay gives a surface enrichment of Sr 2+ at $68^{+6}_{-5}$ Å 2 per ion, consistent with the result published for the same dataset.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

ProteoSign: an end-user online differential proteomics statistical analysis platform

Profiling of proteome dynamics is crucial for understanding cellular behavior in response to intrinsic and extrinsic stimuli and maintenance of homeostasis. Over the last 20 years, mass spectrometry (MS) has emerged as the most powerful tool for large-scale identification and characterization of proteins. Bottom-up proteomics, the most common MS-based proteomics approach, has always been challenging in terms of data management, processing, analysis and visualization, with modern instruments capable of producing several gigabytes of data out of a single experiment. Here, we present ProteoSign, a freely available web application, dedicated in allowing users to perform proteomics differential expression/abundance analysis in a userfriendly and self-explanatory way. Although several non-commercial standalone tools have been developed for post-quantification statistical analysis of proteomics data, most of them are not end-user appealing as they often require very stringent installation of programming environments, third-party software packages and sometimes further scripting or computer programming. To avoid this bottleneck, we have developed a user-friendly software platform accessible via a web interface in order to enable proteomics laboratories and core facilities to statistically analyse quantitative proteomics data sets in a resource-efficient manner. ProteoSign is available at http://bioinformatics.med.uoc.gr/ProteoSign and the source code at https://github.com/yorgodillo/ ProteoSign.

59 BASIC BIOLOGICAL SCIENCES↗

Quantum computation of nanosheets in a background magnetic field for external control of nanosystems

We ran quantum simulations on lattices of interacting fermions in a background magnetic field [1]. We created discretized Hamiltonian matrices for each system and pre-processed them so that they could be read by the quantum simulator implemented in IBM's Qiskit package [2]. The simulator uses the variational quantum eigensolver (VQE) algorithm [3] to approximate the ground state energy of the input Hamiltonian, which is then compared to the classically-calculated exact value. This classical evaluation is possible because the systems studied are still within the grasp of classical computers. We also investigated ways to simplify the system before the pre-processing step. We found that in almost all cases these simplifications made our quantum calculations converge to better answers using simpler starting conditions. We are exploring other ways to interface with IBM's quantum computing software so that we no longer need to explicitly define the Hamiltonian matrices for our systems, a problem which will itself soon become intractable.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Development of ROACH firmware for microwave multiplexed X-ray TES microcalorimeters

We are developing room temperature electronics based upon the ROACH platform for reading out microwave multiplexed X-ray TES. ROACH is an open-source hardware and software platform featuring a large Xilinx Field Programmable Gate Array (FPGA), Power PC processor, several 10GB Ethernet SFP+ interfaces, and a collection of daughter boards for analog signal generation and acquisition. The combination of a ROACH board, ADC/DAC conversion daughter boards, and hardware for RF mixing allows for the generation and capture of multiple RF tones for reading out microwave multiplexed x-ray TES microcalorimeters. The FPGA is used to generate multiple tones in base band, from 10MHz to 250MHz, which are subsequently mixed to RF in the multiple GHz range and sent through the microwave multiplexer. The tones are generated in the FPGA by storing a large lookup table in Quad Data Rate (QDR) SRAM modules and playing out the waveform to a DAC board. Once the signal has been modulated to RF, passed through the microwave multiplexer, and has been modulated back to base band, the signal is digitized by an ADC board. The tones are modulated to 0Hz by using a FPGA circuit consisting of a polyphase filter bank, several Xilinx FFT blocks, Xilinx CORDIC blocks (for converting to magnitude and phase), and special phase accumulator circuit for mixing to exactly 0Hz. Upwards of 256 channels can be simultaneously captured and written into a bank of 256 First-In-First-Out (FIFO) memories, with each FIFO corresponding to a channel. Individual channel data can be further processed in the FPGA before being streamed through a 10GB Ethernet fiber-optic interface to a Linux system. The Linux system runs software written in Python and QT C++ for controlling the ROACH system, capturing data, and processing data.

Firmware↗

PUFFIn

The PUFFIn software package is a graphical user interface that allows for photon and electron beam calculations using the PENELOPE computer code. It prepares the required input files and displays the resulting output data. It can be used by anyone interested in the interaction of photon or electron beams with matter

Schwarz, Randy↗

Foundational Report Series: Advanced Distribution Management Systems for Grid Modernization, Implementation Strategy for a Distribution Management System

Electric distribution utilities encounter many challenges to successful deployment of Distribution Management Systems (DMSs). The key challenges are documented in this report, along with suggestions for overcoming them. This report offers a recommended list of activities for implementing a DMS. It takes a strategic approach to implementing DMS from a project management perspective. The project management strategy covers DMS planning, procurement, design, building, testing, Installation, commissioning, and system integration issues and solutions. It identifies the risks that are associated with implementation and suggests strategies for utilities to use to mitigate them or avoid them altogether. Attention is given to common barriers to successful DMS implementation. This report begins with an overview of the implementation strategy for a DMS and proceeds to put forward a basic approach for procuring hardware and software for a DMS; designing the interfaces with external corporate computing systems such as EMS, GIS, OMS, and AMI; and implementing a complete solution.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Dosimetry Processor v1.0 User's Manual

The following discussion contains a detailed description of how to interface and operate Dosimetry Processor v1.0 software application. It describes the input required from the user to process dosimetry and actions to take for troubleshooting.

97 MATHEMATICS AND COMPUTING↗

Status of SAS4A/SASSYS-1 Software Development and Application (FY2024)

SAS4A/SASSYS-1 is a simulation tool used to perform deterministic analysis of anticipated events as well as design basis and beyond design basis accidents for advanced liquid-metal-cooled nuclear reactors. With its origin as SAS1A in the late 1960s, the SAS series of codes has been under continuous use and development for over fifty years. It has been identified as a critical element of safety analysis capabilities for the U.S. Department of Energy and is utilized within industry to perform the transient safety analyses required to support the licensing of Liquid Metal-cooled Fast Reactors (LMFRs). This report summarizes the code development and update activities carried out during FY2024. In FY2024, programmatic activities focused on key improvements to software useability, such as enhanced user interfaces for reactivity feedback modeling, improvements in stability/useability of the Code Manual, and improvements to the acceptance testing infrastructure, including automation of acceptance testing and generation of the Acceptance Testing Report. To support end user applications, an open training was held, a semi-public forum was maintained, and a practical benchmarking and validation matrix was developed which allowed limitations of existing testing capabilities to be assessed. The existing fuel models were also enhanced with improved modeling capabilities and testing for the oxide and annular fuel models.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

ComPort: Rigorous Testing Methods to Safeguard Software Porting (Final Technical Report)

This is a technical report from the lead institution – University of Utah, Kahlert School of Computing – funded under the Department of Energy, Office of Science, Office of Advanced Scientific Computing Research under award number DE-SC0022252. We summarize our work done over the three years of funding received. The relevant papers and software have already been uploaded at the DOE site.

97 MATHEMATICS AND COMPUTING↗

A geospatial risk analysis graphical user interface for identifying hazardous chemical emission sources

Background: Performing back trajectory and forward trajectory using the Hybrid Single-Particle Lagrangian Integrated Trajectory Model (HYSPLIT) is a reliable approach for assessing particle transport after release among mid-field atmospheric models. HYSPLIT has an externally facing online interface that allows non-expert users to run the model trajectories without requiring extensive training or programming. However, the existing HYSPLIT interface is limited if simulations have a large amount of meteorological data and timesteps that are not coincident. The objective of this study is to design and develop a more robust tool to rapidly evaluate hazard transport conditions and to perform risk analysis, while still maintaining an intuitive and user-friendly interface. Methods: HYSPLIT calculates forward and backward trajectories of particles based on wind speed, wind direction, and the corresponding location, timestamp, and Pasquill stability classes of the regions of the atmosphere in terms of the wind speed, the amount of solar radiation, and the fractional cloud cover. The computed particle transport trajectories, combined with the online Proton Transfer Reaction-Mass Spectrometry (PTR-MS) data (https://figshare.com/articles/dataset/ARL_Data_from_PROS_station_at_Hanford_site/19993964), can be used to identify and quantify the sources and affected area of the hazardous chemicals’ emission using the potential source distribution function (PSDF). PSDF is an improved statistical function based on the well-known potential source contribution function (PSCF) in establishing the air pollutant source and receptor relationship. Performing this analysis requires a range of meteorological and pollutant concentration measurements to be statistically meaningful. The existing HYSPLIT graphical user interface (GUI) does not easily permit computations of trajectories of a dataset of meteorological data in high temporal frequency. To improve the performance of HYSPLIT computations from a large dataset and enhance risk analysis of the accidental release of material at risk, a geospatial risk analysis tool (GRAT-GUI) is created to allow large data sets to be processed instantaneously and to provide ease of visualization. Results: The GRAT-GUI is a native desktop-based application and can be run in any Windows 10 system without any internet access requirements, thus providing a secure way to process large meteorological datasets even on a standalone computer. GRAT-GUI has features to import, integrate, and convert meteorological data with various formats for hazardous chemical emission source identification and risk analysis as a self-explanatory user interface. The tool is available at https://figshare.com/articles/software/GRAT/19426742.

97 MATHEMATICS AND COMPUTING↗

Forming IDEAS: Interactive Data Exploration & Analysis System

Modern cyber security operations collect an enormous amount of logging and alerting data. While analysts have the ability to query and compute simple statistics and plots from their data, current analytical tools are too simple to admit deep understanding. To detect advanced and novel attacks, analysts turn to manual investigations. While commonplace, current investigations are time-consuming, intuition-based, and proving insufficient. Our hypothesis is that arming the analyst with easy-to-use data science tools will increase their work efficiency, provide them with the ability to resolve hypotheses with scientific inquiry of their data, and support their decisions with evidence over intuition. To this end, we present our work to build IDEAS (Interactive Data Exploration and Analysis System). We present three real-world use-cases that drive the system design from the algorithmic capabilities to the user interface. Finally, a modular and scalable software architecture is discussed along with plans for our pilot deployment with a security operation command.

Bridges, Robert↗

Behind the Meter Storage for Electric Vehicle Charging, Electrochemical and Thermal Energy Storage, and Solar Photovoltaic

In response to the potentially large and irregular demand from EVs, along with changing load profiles from buildings with on-site generation, utilities are evaluating multiple options for managing dynamic loads, including time-of-use pricing, demand charges, battery storage, and curtailment of variable generation. Buildings, as well as commercial, public, and workplace EV charging operations, can use a combination of electrochemical battery storage and thermal energy storage coupled with on-site generation to manage energy costs as well as provide resiliency and reliability for EV charging and building energy loads. We are completing a behind the meter storage analysis that focuses on determining the optimal system designs and energy flows for thermal and electrochemical behind the meter storage with on-site solar photovoltaic (PV) generation enabling electric vehicle charging in various climates, building types, and utility rate structures. In completing this analysis, we have developed a tool that combines existing battery models via the System Advisor Model (SAM) and building modeling software via EnergyPlus into a single interface. This tool allows us to simulate a building with a detailed battery model to properly size the battery, thermal energy storage, and solar PV systems to maximize profit for the system owner. This also allows us to assess how the battery degrades under various supervisory control dispatch algorithms to control charging/discharging; we can also see how thermal energy storage is created and used to complement the battery to reduce thermal loads in the building. With this project, we can analyze new batteries that are designed specifically for energy storage, rather than designed to be extremely energy dense for electric vehicle applications, using battery lifetime models from other national labs and the existing SAM battery model, which has detailed lifetime and degradation parameters. We can also assess novel thermal storage technologies by integrating them into the whole building energy simulation program EnergyPlus. Because the model calls both SAM and EnergyPlus, required inputs need to be compatible for both models. These inputs include, on a high-level, the following: weather files, building and electric vehicle load profiles, electricity rate tariff information, and system cost information for the stationary battery, solar PV, and thermal storage system. The various buildings we are studying for this analysis are retail big-box grocery store, commercial office building, fleet vehicle depot and operations facility, multi-family residential, and electric vehicle charging station. For these different applications, the battery and thermal storage will be dispatched differently, and the various technologies are sized differently to optimize cost.

30 DIRECT ENERGY CONVERSION↗