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At least 1,693 records · Page 94

Transitioning to Dynamic Workflows at INL

We investigated the opportunity to transition from paper and PDF procedures to more interactive workflows. This transition has been considered because evidence shows that these more interactive digital workflows increase safety and efficiency, while making complex procedures easier for the user to follow and track. The culmination of the project is a report and presentation for the lab deputy director at the end of the fiscal year, in which our team will recommend a path forward based on the findings from literature, employee interviews, and other information gathering activities.

99 GENERAL AND MISCELLANEOUS↗

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↗

Isoparametric 3-D Finite Element Mesh Generation Using Interactive Computer Graphics

An isoparametric 3-D finite element mesh generator was developed with direct interface to an interactive geometric modeler program called POLYGON. POLYGON defines the model geometry in terms of boundaries and mesh regions for the mesh generator. The mesh generator controls the mesh flow through the 2-dimensional spans of regions by using the topological data and defines the connectivity between regions. The program is menu driven and the user has a control of element density and biasing through the spans and can also apply boundary conditions, loads interactively.

Kayrak, C.↗

A land-surface testbed for EOSDIS

We propose to develop an on-line data distribution and interactive display system for the collection, archival, distribution and analysis of operational weather satellite data for applications in land surface studies. A 1,000 sq km scene of the western U.S. (centered on the Colorado Rockies) will be extracted from Advanced Very High Resolution Radiometer (AVHRR) imagery collected from morning and afternoon passes of the NOAA polar-orbiters at the direct readout stations operated by CU/CCAR. All five channels of these AVHRR data will be navigated and map registered at CU/CCAR and then be transferred to NCAR for storage in an on-line data system. Software will also be available at NCAR to process and navigate the raw AVHRR data as needed. A display workstation software, based on a Macintosh II computer, will be developed that will display and further process the AVHRR data for studies of vegetation monitoring and snowpack assessment. Various options of presently used techniques for both vegetation and snowpack monitoring will be implemented in the workstation software to provide the individual investigator with the freedom to interact with the satellite image data. The display software will be freely distributed online to interested investigators and the AVHRR data will be made available on-line to anyone interested. In addition, potential users will be sought out and connected to the on-line data archive. This experiment with an active on-line archive and interactive analysis systems will provide experience with a small scale EOSDIS.

Emery, William↗

A land-surface testbed for EOSDIS

We propose to develop an on-line data distribution and interactive display system for the collection, archival, distribution and analysis of operational weather satellite data for applications in land surface studies. A 1,000 square km scene of the western U.S. (centered on the Colorado Rockies) will be extracted from Advanced Very High Resolution Radiometer (AVHRR) imagery collected from morning and afternoon passes of the NOAA polar-orbiters at the direct readout stations operated by CU/CCAR. All five channels of these AVHRR data will be navigated and map registered at CU/CCAR and then be transferred to NCAR for storage in an on-line data system. Software will also be available at NCAR to process and navigate the raw AVHRR data as needed. A display workstation software, based on a Macintosh II computer, will be developed that will display and further process the AVHRR data for studies of vegetation monitoring and snowpack assessment. Various options of presently used techniques for both vegetation and snowpack monitoring will be implemented in the workstation software to provide the individual investigator with the freedom to interact with the satellite image data. The display software will be freely distrributed online to interested investigators, and the AVHRR data will be made available on-line to anyone interested. In addition, potential users will be sought out and connected to the on-line data archive. This experiment with an active on-line archive and interactive analysis systems will provide experience with a small scale EOSDIS.

Emery, William↗

Computational Workbench for Multibody Dynamics

PyCraft is a computer program that provides an interactive, workbenchlike computing environment for developing and testing algorithms for multibody dynamics. Examples of multibody dynamic systems amenable to analysis with the help of PyCraft include land vehicles, spacecraft, robots, and molecular models. PyCraft is based on the Spatial-Operator- Algebra (SOA) formulation for multibody dynamics. The SOA operators enable construction of simple and compact representations of complex multibody dynamical equations. Within the Py-Craft computational workbench, users can, essentially, use the high-level SOA operator notation to represent the variety of dynamical quantities and algorithms and to perform computations interactively. PyCraft provides a Python-language interface to underlying C++ code. Working with SOA concepts, a user can create and manipulate Python-level operator classes in order to implement and evaluate new dynamical quantities and algorithms. During use of PyCraft, virtually all SOA-based algorithms are available for computational experiments.

Edmonds, Karina↗

An Innovative, Multidisciplinary Educational Program in Interactive Information Storage and Retrieval

There exists a large number of large-scale bibliographic Information Storage and Retrieval Systems containing large amounts of valuable data of interest in a wide variety of research applications. These systems are not used to capacity because the end users, i.e., the researchers, have not been trained in the techniques of accessing such systems. This thesis describes the development of a transportable, university-level course in methods of querying on-line interactive Information Storage and Retrieval systems as a solution to this problem. This course was designed to instruct upper division science and engineering students to enable these end users to directly access such systems. The course is designed to be taught by instructors who are not specialists in either computer science or research skills. It is independent of any particular IS and R system or computer hardware. The project is sponsored by NASA and conducted by the University of Southwestern Louisiana and Southern University.

Dominick, Wayne D.↗

Earth science information: Planning for the integration and use of global change information

The Consortium for International Earth Science Information Network (CIESIN) was founded in 1989 as a non-profit corporation dedicated to facilitating access to, use and understanding of global change information worldwide. The Consortium was created to cooperate and coordinate with organizations and researchers throughout the global change community to further access the most advanced technology, the latest scientific research, and the best information available for critical environmental decision making. CIESIN study efforts are guided by Congressional mandates to 'convene key present and potential users to assess the need for investment in integration of earth science information,' to 'outline the desirable pattern of interaction with the scientific and policy community,' and to 'develop recommendations and draft plans to achieve the appropriate level of effort in the use of earth science data for research and public policy purposes.' In addition, CIESIN is tasked by NASA to develop a data center that would extend the benefits of Earth Observing System (EOS) to the users of global change information related to human dimensions issues. For FY 1991, CIESIN focused on two main objectives. The first addressed the identification of information needs of global change research and non-research user groups worldwide. The second focused on an evaluation of the most efficient mechanisms for making this information available in usable forms.

Lousma, Jack R.↗

The Role of Trust and Interaction in Global Positioning System Related Accidents

The Global Positioning System (GPS) uses a network of satellites to calculate the position of a receiver over time. This technology has revolutionized a wide range of safety-critical industries and leisure applications. These systems provide diverse benefits; supplementing the users existing navigation skills and reducing the uncertainty that often characterizes many route planning tasks. GPS applications can also help to reduce workload by automating tasks that would otherwise require finite cognitive and perceptual resources. However, the operation of these systems has been identified as a contributory factor in a range of recent accidents. Users often come to rely on GPS applications and, therefore, fail to notice when they develop faults or when errors occur in the other systems that use the data from these systems. Further accidents can stem from the over confidence that arises when users assume automated warnings will be issued when they stray from an intended route. Unless greater attention is paid to the role of trust and interaction in GPS applications then there is a danger that we will see an increasing number of these failures as positioning technologies become integral in the functioning of increasing numbers of applications.

Johnson, Chris W.↗

EGS Collab Experiment 1: 3D Seismic Velocity Model and Updated Microseismic Catalog from Double-Difference Seismic Tomography

This package contains a 3D Seismic velocity model and an updated microseismic catalog obtained for a double-difference seismic tomography study. The 3D_seismic_velocity_model text file contains x (m), y(m), z(m), P-wave velocity (km/s), P-wave velocity quality indicator (1 for well-constrained; 0 for poorly constrained), S-wave velocity (km/s), and S-wave velocity quality indicator (1 for well-constrained; 0 for poorly constrained). The Updated_MEQ_catalog text file contains event origin time, x(m), y(m), z(m), error in x (m), error in y (m), error in z (m), and RMS misfit (millisecond). The 3D_seismic_P-wave_velocity_model animation file shows slices of the 3D P-wave velocity model. The 3D_seismic_S-wave_velocity_model animation file shows slices of the 3D S-wave velocity model. The Interactive_MEQ_location_comparison API file is an interactive visualization of the updated microseismic event locations and the original seismic catalog. The visualization allows users to view and compare the event locations by dragging, rotating, and zooming in. An updated version of 3D_seismic_velocity_model and associated animations were included, which were calculated with a more strict assumption for quality indicators.

15 GEOTHERMAL ENERGY↗

The Image Display and Manipulation System /IDAMS/

The Image Display and Manipulation System (IDAMS) is an interactive image analysis system consisting of a general purpose computer, a TV display and control console, and software. This paper describes the system features and capabilities. A scenario approach which simplifies the user interface is defined and is applied to multispectral classification. Included is a brief description of the Atmospheric and Oceanographic Information Processing System (AOIPS), a new interactive image analysis system currently being implemented at the Goddard Space Flight Center (GSFC).

Alford, W. L.↗

Communication satellite services for special purpose users

The present study identifies potential satellite services, examines the technology necessary for efficient implementation of these services, and determines minimum service cost versus user network size. The generic satellite services evaluated comprise TV and radio distribution (for retransmission), video teleconferencing (interactive), audio/facsimile teleconferencing (interactive), multiplexed data/voice (point-to-point), and satellite-supported land mobile. Satellite costs are based on extrapolations from ongoing commercial satellite programs. Production methods, new technology, and effect of production quantities on present and future production costs are examined to provide information on earth station equipment cost versus the variable 'buy'. Six different launch vehicles from a Delta 2914 to a dedicated Shuttle and three frequency bands and both broadcast (no eclipse capability) and fixed service satellites are considered to assess the effect of satellite size on cost and performance. It is assumed that the user pays only for his prorata share of the space segment costs.

Wright, D. L.↗

Modifications to the streamtube curvature program. Volume 1: Program modifications and user's manual

The improvements which have been incorporated in the Streamtube Curvature Program to enhance both its computational and diagnostic capabilities are described. Detailed descriptions are given of the revisions incorporated to more reliably handle the jet stream-external flow interaction at trailing edges. Also presented are the augmented boundary layer procedures and a variety of other program changes relating to program diagnostics and extended solution capabilities. An updated User's Manual, that includes information on the computer program operation, usage, and logical structure, is presented. User documentation includes an outline of the general logical flow of the program and detailed instructions for program usage and operation. From the standpoint of the programmer, the overlay structure is described. The input data, output formats, and diagnostic printouts are covered in detail and illustrated with three typical test cases.

Ferguson, D. R.↗

Running SINDA '85/FLUINT interactive on the VAX

Computer software as engineering tools are typically run in three modes: Batch, Demand, and Interactive. The first two are the most popular in the SINDA world. The third one is not so popular, due probably to the users inaccessibility to the command procedure files for running SINDA '85, or lack of familiarity with the SINDA '85 execution processes (pre-processor, processor, compilation, linking, execution and all of the file assignment, creation, deletions and de-assignments). Interactive is the mode that makes thermal analysis with SINDA '85 a real-time design tool. This paper explains a command procedure sufficient (the minimum modifications required in an existing demand command procedure) to run SINDA '85 on the VAX in an interactive mode. To exercise the procedure a sample problem is presented exemplifying the mode, plus additional programming capabilities available in SINDA '85. Following the same guidelines the process can be extended to other SINDA '85 residence computer platforms.

Simmonds, Boris↗

MyCrunchGPT: A LLM Assisted Framework for Scientific Machine Learning

Scientific machine learning (SciML) has advanced recently across many different areas in computational science and engineering. Here, the objective is to integrate data and physics seamlessly without the need of employing elaborate and computationally taxing data assimilation schemes. However, preprocessing, problem formulation, code generation, postprocessing, and analysis are still time- consuming and may prevent SciML from wide applicability in industrial applications and in digital twin frameworks. Here, we integrate the various stages of SciML under the umbrella of ChatGPT, to formulate MyCrunchGPT, which plays the role of a conductor orchestrating the entire workflow of SciML based on simple prompts by the user. Specifically, we present two examples that demonstrate the potential use of MyCrunchGPT in optimizing airfoils in aerodynamics, and in obtaining flow fields in various geometries in interactive mode, with emphasis on the validation stage. To demonstrate the flow of the MyCrunchGPT, and create an infrastructure that can facilitate a broader vision, we built a web app based guided user interface, that includes options for a comprehensive summary report. The overall objective is to extend MyCrunchGPT to handle diverse problems in computational mechanics, design, optimization and controls, and general scientific computing tasks involved in SciML, hence using it as a research assistant tool but also as an educational tool. While here the examples focus on fluid mechanics, future versions will target solid mechanics and materials science, geophysics, systems biology, and bioinformatics.

97 MATHEMATICS AND COMPUTING↗

A Novel use of Direct Simulation Monte-Carlo to Model Dynamics of COVID-19 Pandemic Spread

In this report, we evaluate a novel method for modeling the spread of COVID-19 pandemic. In this new approach we leverage methods and algorithms developed for fully-kinetic plasma physics simulations using Particle-In-Cell (PIC) Direct Simulation Monte-Carlo (DSMC) models. This approach then leverages Sandia-unique simulation capabilities, and High-Performance Computer (HPC) resources and expertise in particle-particle interactions using stochastic processes. Our hypothesis is that this approach would provide a more efficient platform with assumptions based on physical data that would then enable the user to assess the impact of mitigation strategies and forecast different phases of infection. This work addresses key scientific questions related to the assumptions this new approach must make to model the interactions of people using algorithms typically used for modeling particle interactions in physics codes (kinetic plasma, gas dynamics). The model developed uses rational/physical inputs while also providing critical insight; the results could serve as inputs to, or alternatives for, existing models. The model work presented was developed over a four-week time frame, thus far showing promising results and many ways in which this model/approach could be improved. This work is aimed at providing a proof-of-concept for this new pandemic modeling approach, which could have an immediate impact on the COVID-19 pandemic modeling, while laying a basis to model future pandemic scenarios in a manner that is timely and efficient. Additionally, this new approach provides new visualization tools to help epidemiologists comprehend and articulate the spread of this and other pandemics as well as a more general tool to determine key parameters needed in order to better predict pandemic modeling in the future. In the report we describe our model for pandemic modeling, apply this model to COVID-19 data for New York City (NYC), assess model sensitivities to different inputs and parameters and , finally, propagate the model forward under different conditions to assess the effects of mitigation and associated timing. Finally, our approach will help understand the role of asymptomatic cases, and could be extended to elucidate the role of recovered individuals in the second round of the infection, which is currently being ignored.

59 BASIC BIOLOGICAL SCIENCES↗

A Comprehensive Chemistry Evaluation and Diagnostics Package for E3SM – ChemDyg Version 1.1.0

The Chemistry Evaluation and Diagnostics Package (ChemDyg) is an open-source tool designed for the Energy Exascale Earth System Model (E3SM) developed by the U.S. Department of Energy. ChemDyg facilitates routine evaluation, tailored development, and in-depth analysis of atmospheric chemistry through its modular architecture, allowing users to compare model outputs with observational data. Version 1.1.0 introduces a robust set of diagnostic capabilities, including climatology, time evolution of key tracers, diurnal and annual cycle analyses, and extensive budget diagnostics. These features help identify model discrepancies and enhance the representation of atmospheric chemistry in E3SM. Each self-contained diagnostic set includes dedicated scripts and documentation for ease of use. The interactive HTML output improves data accessibility, accelerating chemistry model development. Additionally, ChemDyg's flexible framework allows for customization, enabling users to create unique diagnostic sets for specific scientific contributions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

ND 2 AV: N-dimensional data analysis and visualization analysis for the National Ignition Campaign

Here, one of the biggest challenges in high-energy physics is to analyze a complex mix of experimental and simulation data to gain new insights into the underlying physics. Currently, this analysis relies primarily on the intuition of trained experts often using nothing more sophisticated than default scatter plots. Many advanced analysis techniques are not easily accessible to scientists and not flexible enough to explore the potentially interesting hypotheses in an intuitive manner. Furthermore, results from individual techniques are often difficult to integrate, leading to a confusing patchwork of analysis snippets too cumbersome for data exploration. This paper presents a case study on how a combination of techniques from statistics, machine learning, topology, and visualization can have a significant impact in the field of inertial confinement fusion. We present the $\mathrm{ND}^2\mathrm{AV}$: N-dimensional data analysis and visualization framework, a user-friendly tool aimed at exploiting the intuition and current workflow of the target users. The system integrates traditional analysis approaches such as dimension reduction and clustering with state-of-the-art techniques such as neighborhood graphs and topological analysis, and custom capabilities such as defining combined metrics on the fly. All components are linked into an interactive environment that enables an intuitive exploration of a wide variety of hypotheses while relating the results to concepts familiar to the users, such as scatter plots. $\mathrm{ND}^2\mathrm{AV}$ uses a modular design providing easy extensibility and customization for different applications. $\mathrm{ND}^2\mathrm{AV}$ is being actively used in the National Ignition Campaign and has already led to a number of unexpected discoveries.

97 MATHEMATICS AND COMPUTING↗