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At least 199 records · Page 11

INTERFUEL: FAST -- Fueling Center and EVSE Reporting Process Changes

This presentation presents an overview of coming changes to how federal agencies with motor vehicles will submit required information about fueling centers and electric vehicle supply equipment (EVSE) inventory through the Federal Automotive Statistical Tool (FAST). Historically, information covering these two areas has been provide during two separate data submissions, but is now being consolidated and simplified into a single submission due by December 15 of each year. The presentation provides background on the process, a re-cap of how the information is currently submitted, and describes the new approach for organizations to submit the required information. This presentation is intended for delivery via WebEx/GoToMeeting at the July 8, 2020 meeting of the DOE-sponsored INTERFUEL working group. FAST is a web-based information management tool developed by INL and funded by GSA's Office of Government-wide Policy and DOE's Federal Energy Management Program.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

WI Fast Stats: a collection of web apps for the visualization and analysis of WI Fast Plants data

WI Fast Stats is an integrated animated web page which serves as a medium to a collection of R-developed web apps that provide Data Visualization and Data Analysis tools for WI Fast Plants data. Each web app corresponds to an educational unit linked to a specific WI Fast Plants webinar and it serves two main functions: 1) K-16 teachers attending the WI Fast Plants webinar will learn how to design Data Science exercises through the web app for their students and 2) students can use the web app independently to learn about visualization and analysis via the publicly available sample datasets and educational materials.

59 BASIC BIOLOGICAL SCIENCES↗

ADAM: A web platform for graph-based modeling and optimization of supply chains

Modeling and optimization are essential tasks that arise in the analysis and design of supply chains (SCs). SC models are essential for understanding emergent behavior such as transactions between participants, inherent value of products exchanged, as well as impact of externalities (e.g., policy and climate) and of constraints. Unfortunately, most users of SC models have limited expertise in mathematical optimization, and this hinders the adoption of advanced decision-making tools. Here, in this work, we present ADAM, a web platform that enables the modeling and optimization of SCs. ADAM facilitates modeling by leveraging intuitive and compact graph-based abstractions that allow the user to express dependencies between locations, products, and participants. ADAM model objects serve as repositories of experimental, technology, and socio-economic data; moreover, the graph abstractions facilitate the organization and exchange of models and provides a natural framework for education and outreach. Here, we discuss the graph abstractions and software design principles behind ADAM, its key functional features and workflows, and application examples.

97 MATHEMATICS AND COMPUTING↗

Application of physiologically based pharmacokinetic modeling for sertraline dosing recommendations in pregnancy

Pregnancy is a period of significant change that impacts physiological and metabolic status leading to alterations in the disposition of drugs. Uncertainty in drug dosing in pregnancy can lead to suboptimal therapy, which can contribute to disease exacerbation. A few studies show there are increased dosing requirements for antidepressants in late pregnancy; however, the quantitative data to guide dose adjustments are sparse. We aimed to develop a physiologically based pharmacokinetic (PBPK) model that allows gestational-age dependent prediction of sertraline dosing in pregnancy. A minimal physiological model with defined gut, liver, plasma, and lumped placental-fetal compartments was constructed using the ordinary differential equation solver package, ‘mrgsolve’, in R. We extracted data from the literature to parameterize the model, including sertraline physicochemical properties, in vitro metabolism studies, disposition in nonpregnant women, and physiological changes during pregnancy. The model predicted the pharmacokinetic parameters from a clinical study with eight subjects for the second trimester and six subjects for the third trimester. Based on the model, gestational-dependent changes in physiology and metabolism account for increased clearance of sertraline (up to 143% at 40 weeks gestational age), potentially leading to under-dosing of pregnant women when nonpregnancy doses are used. The PBPK model was converted to a prototype web-based interactive dosing tool to demonstrate how the output of a PBPK model may translate into optimal sertraline dosing in pregnancy. Quantitative prediction of drug exposure using PBPK modeling in pregnancy will support clinically appropriate dosing and increase the therapeutic benefit for pregnant women.

60 APPLIED LIFE SCIENCES↗

GNPS Dashboard: collaborative exploration of mass spectrometry data in the web browser

Access to web-based platforms has enabled scientists to perform research remotely. A critical aspect of mass spectrometry data analysis is the inspection, analysis, and visualization of the raw data to validate data quality and confirm statistical observations. We developed the GNPS Dashboard, a web-based data visualization tool, to facilitate synchronous collaborative inspection, visualization, and analysis of private and public mass spectrometry data remotely.

59 BASIC BIOLOGICAL SCIENCES↗

Efficient numerical methods to solve sparse linear equations with application to PageRank

Over the last two decades, the PageRank problem has received increased interest from the academic community as an efficient tool to estimate web-page importance in information retrieval. Despite numerous developments, the design of efficient optimization algorithms for the PageRank problem is still a challenge. Here, we propose three new algorithms with a linear time complexity for solving the problem over a bounded-degree graph. The idea behind them is to set up the PageRank as a convex minimization problem over a unit simplex, and then solve it using iterative methods with small iteration complexity. Our theoretical results are supported by an extensive empirical justification using real-world and simulated data.

97 MATHEMATICS AND COMPUTING↗

Gaia: An AI-enabled genomic context–aware platform for protein sequence annotation

Protein sequence similarity search is fundamental to biology research, but current methods are typically not able to consider crucial genomic context information indicative of protein function, especially in microbial systems. Here, we present Gaia (Genomic AI Annotator), a sequence annotation platform that enables rapid, context-aware protein sequence search across genomic datasets. Gaia leverages gLM2, a mixed-modality genomic language model trained on both amino acid sequences and their genomic neighborhoods to generate embeddings that integrate sequence-structure-context information. This approach allows for the identification of functionally and/or evolutionarily related genes that are found in conserved genomic contexts, which may be missed by traditional sequence- or structure-based search alone. Gaia enables real-time search of a curated database comprising more than 85 million protein clusters from 131,744 microbial genomes. We compare the homolog retrieval performance of Gaia search against other embedding and alignment-based approaches. We provide Gaia as a web-based, freely available tool.

Jha, Nishant↗

Retrofit Energy Analysis and Central Thermal modeling (REACT) v1.0

REACT is a website designed to simplify the analysis and decision-making process for retrofitting existing central plant heating and cooling systems with advanced heat pump technologies. The tool evaluates the technical and economic viability of replacing traditional boilers with various options including water-to-water or air-to-water heat pumps, which can provide efficient and lower-cost heating and cooling. It allows users to compare current central plant configurations with retrofit scenarios, assessing energy consumption, life-cycle costs, and environmental impact. Retrofitting traditional boiler and chiller systems with water-to-water or air-to-water heat pumps can significantly reduce energy consumption and lower lifecycle costs. The REACT provides: User-Friendly Tools: A user friendly web interface for quick, intuitive analysis accessible to non-experts. Advanced Modeling: A Python-powered engine for detailed parametric studies, optimization, and research applications. Comprehensive Analysis: Lifecycle cost evaluation, energy consumption modeling, and environmental impact assessment. Visual Insights: A variety of plots to visualize system performance and design trade-offs. The engine for the website (REACT) bases on several Python libraries, and the website will be hosted on an ETA server.

Kim, Donghun [Lawrence Berkeley National Laborator↗

Cyber-CHAMP Task Analysis Survey Tool

Cyber-CHAMP Task analysis survey tool is a web-hosted code platform for an individual to select their every day tasking, based on industry documentation and standards, and produce an education and training mapping to provide them the proper associated cyber competency level(s).

Stailey, ShaneD.↗

Multiscale and Multivariate Transportation System Visualization for Shopping District Traffic and Regional Traffic

In this paper, we present a suite of visualization techniques for sensor-based transportation system data at different scales to facilitate the exploration of interconnected traffic dynamics at intersections and highways. Additionally, these techniques are designed for analyzing multivariate traffic data from radar-based highway sensors and camera-based intersection sensors recording turn movements and vehicle speed, in the Chattanooga Metropolitan Area, with the capability of (a) revealing multiscale mobility patterns using different levels of data aggregation (e.g., individual sensor for microscale, multiple sensors along a corridor for mesoscale, and a larger number of sensors across the region for macroscale visualization) at different intervals (e.g., 5-min intervals, time of day, full day, and day-of-the-week), and (b) exploring the spatial variation of multiple traffic-related variables (e.g., volumes, speeds, turn movements, and traffic light colors) provided by the sensors. We close with a case study to demonstrate the effectiveness of our multiscale and multivariate visualization techniques. At microscale, we focused on intersection data from a shopping district around Shallowford Road in East Chattanooga. For mesoscale visualization, we studied the Shallowford Road corridor and an adjacent stretch of I-75. At macroscale, we included highway data from the Chattanooga Metropolitan Area. All visualizations were integrated into a web-based situational awareness tool to promote user access and interaction. At a minimum, each visualization provides the option for selecting dates for real-time (depending on sensor availability) and historical data, and additional information on hovering, though most provide more detailed information, including different views of the selected data, or interactive highlights.

33 ADVANCED PROPULSION SYSTEMS↗

Harnessing Condorcet Methods to Improve Decision-making Based on Ranked Data

Decision-makers must often choose between multiple alternatives based on their relative merits across a variety of criteria. These multiple-criteria decision-making (MCDM) problems must be approached in an objective, measurable, and transparent fashion to obtain well-supported outcomes. The challenge of using sets of ranked data to identify the optimal choice is not unlike the challenge of using ranked ballots to identify the winner of an election in a preference voting system. As such, the methods of rank aggregation used in elections can be applied to help resolve MCDM problems. Previous research into the design of elections and ballots has yielded many algorithms with well-understood properties. A subset of these, called Condorcet methods, reliably identify the “Condorcet winner,” if it exists, giving the result that would defeat any other in a pairwise comparison. That, in addition to several other desirable qualities, makes Condorcet methods like the Schulze method, Ranked Pairs, and Copeland’s method, effective and scalable means for tackling MCDM problems. These rank aggregation methods have been implemented in JavaScript functions for incorporation into a web-based MCDM decision tool. These algorithms can be applied in a wide variety of contexts (for example, determining the “best” environmental remediation method or selecting a subcontractor) to facilitate effective decision-making. The performance of the JavaScript Condorcet prototype tool was compared across the implemented algorithms and with both a non-Condorcet rank aggregation method as well as an implementation of the Simple Multi-Attribute Rating Technique (SMART) algorithm.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Comparative Performance of Low Global Warming Potential (GWP) Refrigerants as Replacement for R-410A in a Regular 2-Speed Heat Pump for Sustainable Cooling

Heat pumps are currently being developed to reduce the energy footprint for residential and commercial building space conditioning and water heating loads in cold climates. To mitigate the nocuous impact of greenhouse gas emissions on the environment, and to create a carbon-neutral building stock, alternate lower-GWP refrigerants must also replace the predominant use of R-410A, without re-engineering the mechanical hardware. In this paper, we analyze the performance of lower-GWP alternative refrigerants (R-32, R-452B, R-454B, and R-466A) relative to the conventional R-410A and draw conclusions on the relative performances to meet cooling loads. The simulations are accomplished using the heat pump design model, a well-known, public-domain design tool with a free web interface and downloadable desktop version to support public use and the HVAC R&D community. The contributions contain detailed, hardware-based heat exchanger and system analyses to provide a comprehensive assessment. The results of the simulation are scrutinized from the first (capacity and energy efficiency) and second laws (exergy analysis) to identify sources of systemic inefficiency, the root cause of lost work. This rigorous approach provides an exhaustive analysis of alternate lower-GWP refrigerants to replace R-410A using the same hardware. The results have practical value in engineering heat pumps in an economy that is compelled to alter by the consequences and uncertainties of climate change, to reduce its anthropogenic carbon footprint.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

SUSTAINING NUCLEAR SECURITY REGIMES THROUGH CONTINUOUS LEARNING EXPERIENCES

As Member States plan, implement, and ultimately sustain their nuclear security regimes, human resource development supporting these regimes are paramount. Human resource development broadly includes programs addressing education, training, and knowledge management. The International Atomic Energy Agency’s Implementing Guide, Sustaining a Nuclear Security Regime, highlights the importance of national-level support for assigning resources that help ensure States are able to develop and retain sufficient human resources in the short, medium, and long term. Determining the resources needed to support education, training, and knowledge management is not an easy task, and knowledge management is a practice often overlooked when States plan for and allocate human resources for a nuclear security regime. The paper highlights the importance of implementing knowledge management practices as part of sustaining a nuclear security regime. Given the availability of secure web-based knowledge management tools, a nuclear security human resource development program should not depend solely on direct human interactions. To that end, the paper will offer an approach for planning and implementing a knowledge management system by using the U.S. Department of Energy/National Nuclear Security Administration’s Nuclear Smuggling Detection and Deterrence Knowledge Management Website as a case study. This example offers useful lessons learned for States considering or actively developing their own nuclear security knowledge management efforts and human resource development.

Tremonte, Matthew M.↗

Cybersecurity Value-at-Risk Framework: Preprint

As more variable renewable energy sources are added to the grid, the critical role of hydropower as a reliable baseline and firming resource is rapidly growing. However, the U.S hydropower fleet is not fully prepared to face modern issues such as cybersecurity threats. Hydropower accounts for 37% of U.S. utility-scale renewable electricity but is challenged by diverse infrastructure and legacy devices that predate modern security practices. While new cybersecurity solutions cannot simply be added to current hydropower generation and operation technologies, custom cybersecurity assessments can reveal system-specific threats and risk probabilities and identify mitigating enhancements.

cybersecurity valuation↗

Natural Hazard Forecast Alert Grid Risk System

Weather events cause most power outages. Often, we even get notifications on our phones to take cover or be prepared for an imminent event. If electric grid utilities had a similar warning that also included probable scenarios and the equipment involved, they could prepare and minimize the effects. Idaho National Laboratory had a project with the U.S. Department of Energy’s Cybersecurity, Energy Security, and Emergency Response program to develop a grid alert application that receives messages from the existing emergency alert system, filters and determines components possibly affected by the emergency event, calculates probable scenarios using MASTERRI (Modeling And Simulation for Targeted Reliability and Resilience Improvement). For high-risk events, the application can then send alert links to subscribed electric distribution utility operations staff to allow them to see and evaluate the scenarios and the impact in a web based interactive map tool. This proof of concept application used data from utilities and organizations, such as the international regulatory body North American Electric Reliability Corporation, which have complied historical failure data of elements that comprise the U.S. electric grid. Nominal failure rates are obtained from this data. To make this tool possible, estimated failure rates were calculated for different component types given the alert type, severity, and location. Historic weather-related grid element failures were correlated with historic weather events from the Integrated Public Alert & Warning System. These correlated events and failures are used along with Bayesian updates from the historical norms to provide a modified failure rate for grid elements in the alert areas and calculate probable scenarios. Working with an industry collaborator, actual grid models and data were used for demonstration cases. This report outlines the work performed for this project.

24 - POWER TRANSMISSION AND DISTRIBUTION↗

Open Chemistry, JupyterLab, REST, and quantum chemistry

Quantum chemistry must evolve if it wants to fully leverage the benefits of the internet age, where the worldwide web offers a vast tapestry of tools that enable users to communicate and interact with complex data at the speed and convenience of a button press. The Open Chemistry project has developed an open-source framework that offers an end-to-end solution for producing, sharing, and visualizing quantum chemical data interactively on the web using an array of modern tools and approaches. These tools build on some of the best open-source community projects such as Jupyter for interactive online notebooks, coupled with 3D accelerated visualization, state-of-the-art computational chemistry codes including NWChem and Psi4, and emerging machine learning and data mining tools such as ChemML and ANI. They offer flexible formats to import and export data, along with approaches to compare computational and experimental data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Implementation of a Web Interface to Display Real-Time Statistics of a Dilution Refrigerator

The purpose of the project is to communicate with a Bluefors control unit and extract data. The Bluefors control unit is a piece of experimental equipment that measures various different data points in a dilution refrigerator and stores them. The goal was to access the control unit using the websockets library in Python. After accessing the control unit, the goal was to export the data to a web page in HTML/CSS. The tools that were used changed throughout the project. Python was used to communicate with the Bluefors unit via JSON requests and JSON objects, then the Python hosted its own websocket server to act as a proxy server to allow for the web page to access the data. This was done to bypass SSL verification. Then, the web page, which was created using JavaScript, React, Next.js, and NodeJS, accesses the proxy server to import the data from the dilution refrigerator and display the values in real time on the page.

Rasheed, Hammad↗

Measuring success for a future vision: Defining impact in science gateways/virtual research environments

Scholars worldwide leverage science gateways/virtual research environments (VREs) for a wide variety of research and education endeavors spanning diverse scientific fields. Evaluating the value of a given science gateway/VRE to its constituent community is critical in obtaining the financial and human resources necessary to sustain operations and increase adoption in the user community. In this article, we feature a variety of exemplar science gateways/VREs and detail how they define impact in terms of, for example, their purpose, operation principles, and size of user base. Further, the exemplars recognize that their science gateways/VREs will continuously evolve with technological advancements and standards in cloud computing platforms, web service architectures, data management tools and cybersecurity. We also present a number of technology advances that could be incorporated in next-generation science gateways/VREs to enhance their scope and scale of their operations for greater success/impact. The exemplars are selected from owners of science gateways in the Science Gateways Community Institute (SGCI) clientele in the United States, and from the owners of VREs in the International Virtual Research Environment Interest Group (VRE-IG) of the Research Data Alliance. Thus, community-driven best practices and technology advances are compiled from diverse expert groups with an international perspective to envisage futuristic science gateway/VRE innovations.

97 MATHEMATICS AND COMPUTING↗