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At least 793 records · Page 44

User's Manual for LINER: FORTRAN Code for the Numerical Simulation of Plane Wave Propagation in a Lined Two-Dimensional Channel

LINER is a system of Fortran 77 codes which performs a 2D analysis of acoustic wave propagation and noise suppression in a rectangular channel with a continuous liner at the top wall. This new implementation is designed to streamline the usage of the several codes making up LINER, resulting in a useful design tool. Major input parameters are placed in two main data files, input.inc and nurn.prm. Output data appear in the form of ASCII files as well as a choice of GNUPLOT graphs. Section 2 briefly describes the physical model. Section 3 discusses the numerical methods; Section 4 gives a detailed account of program usage, including input formats and graphical options. A sample run is also provided. Finally, Section 5 briefly describes the individual program files.

Reichert, R, S.↗

PROP3D: A Program for 3D Euler Unsteady Aerodynamic and Aeroelastic (Flutter and Forced Response) Analysis of Propellers. Version 1.0

This guide describes the input data required, for steady or unsteady aerodynamic and aeroelastic analysis of propellers and the output files generated, in using PROP3D. The aerodynamic forces are obtained by solving three dimensional unsteady, compressible Euler equations. A normal mode structural analysis is used to obtain the aeroelastic equations, which are solved using either time domain or frequency domain solution method. Sample input and output files are included in this guide for steady aerodynamic analysis of single and counter-rotation propellers, and aeroelastic analysis of single-rotation propeller.

Srivastava, R.↗

The Invasive Species Forecasting System (ISFS): An iRODS-Based, Cloud-Enabled Decision Support System for Invasive Species Habitat Suitability Modeling

The Invasive Species Forecasting System (ISFS) is an online decision support system that allows users to load point occurrence field sample data for a plant species of interest and quickly generate habitat suitability maps for geographic regions of interest, such as a national park, monument, forest, or refuge. Target customers for ISFS are natural resource managers and decision makers who have a need for scientifically valid, model- based predictions of the habitat suitability of plant species of management concern. In a joint project involving NASA and the Maryland Department of Natural Resources, ISFS has been used to model the potential distribution of Wavyleaf Basketgrass in Maryland's Chesapeake Bay Watershed. Maximum entropy techniques are used to generate predictive maps using predictor datasets derived from remotely sensed data and climate simulation outputs. The workflow to run a model is implemented in an iRODS microservice using a custom ISFS file driver that clips and re-projects data to geographic regions of interest, then shells out to perform MaxEnt processing on the input data. When the model completes, all output files and maps from the model run are registered in iRODS and made accessible to the user. The ISFS user interface is a web browser that uses the iRODS PHP client to interact with the ISFS/iRODS- server. ISFS is designed to reside in a VMware virtual machine running SLES 11 and iRODS 3.0. The ISFS virtual machine is hosted in a VMware vSphere private cloud infrastructure to deliver the online service.

Gill, Roger↗

Automated Flight Dynamics Product Generation for the EOS AM-1 Spacecraft

As part of NASA's Earth Science Enterprise, the Earth Observing System (EOS) AM-1 spacecraft is designed to monitor long-term, global, environmental changes. Because of the complexity of the AM-1 spacecraft, the mission operations center requires more than 80 distinct flight dynamics products (reports). To create these products, the AM-1 Flight Dynamics Team (FDT) will use a combination of modified commercial software packages (e.g., Analytical Graphic's Satellite ToolKit) and NASA-developed software applications. While providing the most cost-effective solution to meeting the mission requirements, the integration of these software applications raises several operational concerns: (1) Routine product generation requires knowledge of multiple applications executing on variety of hardware platforms. (2) Generating products is a highly interactive process requiring a user to interact with each application multiple times to generate each product. (3) Routine product generation requires several hours to complete. (4) User interaction with each application introduces the potential for errors, since users are required to manually enter filenames and input parameters as well as run applications in the correct sequence. Generating products requires some level of flight dynamics expertise to determine the appropriate inputs and sequencing. To address these issues, the FDT developed an automation software tool called AutoProducts, which runs on a single hardware platform and provides all necessary coordination and communication among the various flight dynamics software applications. AutoProducts, autonomously retrieves necessary files, sequences and executes applications with correct input parameters, and deliver the final flight dynamics products to the appropriate customers. Although AutoProducts will normally generate pre-programmed sets of routine products, its graphical interface allows for easy configuration of customized and one-of-a-kind products. Additionally, AutoProducts has been designed as a mission-independent tool, and can be easily reconfigured to support other missions or incorporate new flight dynamics software packages. After the AM-1 launch, AutoProducts will run automatically at pre-determined time intervals . The AutoProducts tool reduces many of the concerns associated with the flight dynamics product generation. Although AutoProducts required a significant effort to develop because of the complexity of the interfaces involved, its use will provide significant cost savings through reduced operator time and maximum product reliability. In addition, user satisfaction is significantly improved and flight dynamics experts have more time to perform valuable analysis work. This paper will describe the evolution of the AutoProducts tool, highlighting the cost savings and customer satisfaction resulting from its development. It will also provide details about the tool including its graphical interface and operational capabilities.

Matusow, Carla↗

Numerical assessment of the impact of the guiding-centre approximation on fast ion simulations in NSTX

Guiding-centre (GC) and full-orbit (FO) simulations of the beam-injected fast ion distribution and the corresponding neutron emissivity have been carried out for magnetohydrodynamics-quiescent National Spherical Torus eXperiment (NSTX) plasmas, using a combination of ASCOT5 and DRESS, to assess the suitability of the GC approximation for fast ions in NSTX. It was found that GC and FO simulations predicted substantially different steady-state distributions in both position and velocity space and different neutron emissivity profiles, leading to a 15% reduction in the predicted global neutron rate for FO relative to GC. These changes accompany a higher magnetic moment in FO, and correspond to a change in particle orbits from co-passing to trapped and stagnation orbits. ASCOT5 was also benchmarked against TRANSP/NUBEAM with input loaded entirely from TRANSP/NUBEAM output files, with agreement found between the GC simulations when finite Larmor radius (FLR) corrections were omitted. ASCOT5 FO and TRANSP/NUBEAM with FLR produced fast ion distributions which differed in localised regions, but predicted global neutron rates which agree within 3%.

ASCOT↗

SSGUI v1.0

SSGUI is a web-based application that integrates the integrative genomics browser (IGV) with upstream alignment pipelines enabling rapid analysis of a batch of next-generation sequencing (NGS) samples. The input to SSGUI is an NGS file system directory that is organized by experiment and reference sequence. The output is an online dashboard containing various sequencing statistics for each sample and an integrated IGV plugin enabling rapid analysis of aligned NGS reads.

Kulawik, Mark↗

LaPT (Lab Process Tracker) [SWR-26-048]

LaPT (Lab Process Tracker) is a QR/barcode scanning infrastructure for tracking samples and processes. It is a tracking application for lab operations with a graphical user interface. Track processes and sample scans using QR code input, with logs saved to CSV files.

Daxini, Rajiv [National Laboratory of the Rockies ↗

SARS-CoV2 Docking Dataset

Description: Small-molecule conformations and docking scores for 1.4 billion molecules docked against 6 protein targets from SARS-CoV2: MPro 5R84, MPro 6WQF, NSP15 6WLC, PLPro 7JIR, Spike 6M0J, and a hand-optimized model of the RNA-dependent RNA polymerase. Docking was carried out using the Autodock-GPU program performing 20 independent structure minimizations per dock - saving 3 results per molecule. Scores reported include the Autodock free energy estimate as well as RF3 and VS-DUD-E v2 machine-learned rescoring models. Protein structure files and maps in the format input to Autodock-GPU are included. Literature Ref: Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19, J. Chem. Inf. Model. 2020, 60(12): 5832–5852.

36 MATERIALS SCIENCE↗

Dataset for Role of electron correlation on the adenine dimer interaction for non-equilibrium geometries: a benchmark Quantum Monte Carlo study

Datasets for the calculations reported in "Role of electron correlation on the adenine dimer interaction for non-equilibrium geometries: A benchmark Quantum Monte Carlo study" by L. Washburn, A. Sedova, P. R. C. Kent. J. Chem. Phys. (2026) 165 (5): 054118. https://doi.org/10.1063/5.0332651. Includes the molecular geometries, QMCPACK, PySCF, and ORCA inputs and outputs, analysis scripts and files needed to reproduce all the figures and tables.

59 BASIC BIOLOGICAL SCIENCES↗

Dataset for 'Stream Temperature Predictions for River Basin Management in the Pacific Northwest and Mid-Atlantic Regions Using Machine Learning', Water 2022

This data package presents forcing data, model code, and model output for classical machine learning models that predict monthly stream water temperature as presented in the manuscript ‘Stream Temperature Predictions for River Basin Management in the Pacific Northwest and Mid-Atlantic Regions Using Machine Learning’, Water (Weierbach et al., 2022). Specifically, for input forcing datasets we include two files each generated using the BASIN-3D data integration tool (Varadharajan et al., 2022) for stations in the Pacific Northwest and Mid Atlantic Hydrologic regions. Model code (written in python with the use of jupyter notebooks) includes codes for data preprocessing, training Multiple Linear Regression, Support Vector Regression, and Extreme Gradient Boosted Tree models, and additional notebooks for analysis of model output. We include specific model output files which represent modeling configurations presented in the manuscript also presented in an hdf5 format. Together, these data make up the workflow for predictions across three scenarios (single station, regional, and predictions in unmonitored basins) presented in the manuscript and allow for reproducibility of modeling procedures.

54 ENVIRONMENTAL SCIENCES↗

Data from: “Enabling FAIR data in Earth and environmental science with community-centric (meta)data reporting formats”

This dataset contains supplementary information for a manuscript describing the ESS-DIVE (Environmental Systems Science Data Infrastructure for a Virtual Ecosystem) data repository's community data and metadata reporting formats. The purpose of creating the ESS-DIVE reporting formats was to provide guidelines for formatting some of the diverse data types that can be found in the ESS-DIVE repository. The 6 teams of community partners who developed the reporting formats included scientists and engineers from across the Department of Energy National Lab network. Additionally, during the development process, 247 individuals representing 128 institutions provided input on the formats. The primary files in this dataset are 10 data and metadata crosswalk for ESS-DIVE’s reporting formats (all files ending in _crosswalk.csv). The crosswalks compare elements used in each of the reporting formats to other related standards and data resources (e.g., repositories, datasets, data systems). This dataset also contains additional files recommended by ESS-DIVE’s file-level metadata reporting format. Each data file has an associated dictionary (files ending in _dd.csv) which provide a brief description of each standard or data resource consulted in the data reporting format development process. The flmd.csv file describes each file contained within the dataset.

54 ENVIRONMENTAL SCIENCES↗

NEWTS EPA Gasification Dataset and Case Studies

Data from the US EPA Gasification Database containing gasification effluent data from selected U.S. coal power plants. Original data from: Nguyen, Dan-Tam, Eastern Research Group. Sep 29, 2015. Analytical Database for the Steam Electric Rulemaking - DCN SE05359. https://www.regulations.gov/document/EPA-HQ-OW-2009-0819-5640 Files include: Original data tab, processed data and charge balance information in "NEWTS_EPA_Gasification_Effluent_Dataset_all_tabs.xlsx" Individual .csv files for data in format for input into aqueous chemistry modeling software (OLI Systems and Geochemist's Workbench) Data input templates for modeling streams in OLI Systems and Geochemist's Workbench Case studies for selected solved streams modeled in OLI Systems and Geochemist's Workbench

gasification↗

Mapping the Concentration Distribution of Contaminant Plumes to the Computational Grid of the Plateau to River Model (Ver. 8.3)

This environmental calculation file (ECF) outlines the process conducted for defining the initial condition groundwater plumes for select contaminants of interest (COIs) to the Plateau River model version 8.3 (P2Rv8.3) domain (CP-57037, Model Package Report: Plateau to River Groundwater Model Version 8.3). Various data sources were combined into a single set of files defining plume conditions at time 1/1/2018. The resulting files are intended for use as inputs for transport modeling to support forecasts of the Central Plateau contaminant plume fate and transport.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Scheduler software for tracking and data relay satellite system loading analysis: User manual and programmer guide

A user guide and programmer documentation is provided for a system of PRIME 400 minicomputer programs. The system was designed to support loading analyses on the Tracking Data Relay Satellite System (TDRSS). The system is a scheduler for various types of data relays (including tape recorder dumps and real time relays) from orbiting payloads to the TDRSS. Several model options are available to statistically generate data relay requirements. TDRSS time lines (representing resources available for scheduling) and payload/TDRSS acquisition and loss of sight time lines are input to the scheduler from disk. Tabulated output from the interactive system includes a summary of the scheduler activities over time intervals specified by the user and overall summary of scheduler input and output information. A history file, which records every event generated by the scheduler, is written to disk to allow further scheduling on remaining resources and to provide data for graphic displays or additional statistical analysis.

Craft, R.↗

Front-End Program for SYSGEN

SYSGEN, Power Generation System Production costing and Reliability Analysis program, simulates production costs and reliability of electric utility with and without time-dependent generating units. FEPS transforms inputs into proper formats, builds data files and adds Job Control Language necessary to running SYSGEN program.

Carlson, C. R.↗

Line plotting program using DI-3000/Grafmaker routines

A line plotting program has been developed using the DI-3000 graphics libraries and incorporates Grafmaker subroutines. The program allows multiple lines on a frame and multiple frames per run. Options such as automatic scaling, linear or single-cycle log graphs, and plot text such as titles, legends and axis labels are incorporated in the program. Greek and other fonts can be used in the plot text as well as upper and lower case text. Plot inputs are specified through a control file. The program also allows display of multiple independent data sets on a single graph.

Poppen, William A., Jr.↗

Coupled aerodynamic and acoustical predictions for turboprops

To predict the noise fields for proposed turboprop airplanes, an existing turboprop noise code by Farassat has been modified to accept blade pressure inputs from a three-dimensional aerodynamic code. A Euler-type code can handle the nonlinear transonic flow of these high-speed, highly swept blades. This turbofan code was modified to allow the calculation mesh to extend to about twice the blade radius and to apply circumferential periodicity rather than solid-wall boundary conditions on the blade in the region between the blade tip and the outer shroud. Outputs were added for input to the noise prediction program and for color contour plots of various flow variables. The Farassat input subroutines were modified to read files of blade coordinates and predicted surface pressures. Aerodynamic and acoustic results are shown for the SR-3 model blade. Comparison of the acoustic predicted results with measured data show good agreement.

Clark, Bruce J.↗

A PC-based inverse design method for radial and mixed flow turbomachinery

An Inverse Design Method suitable for radial and mixed flow turbomachinery is presented. The codes are based on the streamline curvature concept; therefore, it is applicable for current personal computers from the 286/287 range. In addition to the imposed aerodynamic constraints, mechanical constraints are imposed during the design process to ensure that the resulting geometry satisfies production consideration and that structural considerations are taken into account. By the use of Bezier Curves in the geometric modeling, the same subroutine is used to prepare input for both aero and structural files since it is important to ensure that the geometric data is identical to both structural analysis and production. To illustrate the method, a mixed flow turbine design is shown.

Skoe, Ivar Helge↗