Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Software Tools”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 235 records · Page 13

Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix

Diffraction (X-ray, neutron and electron) and electron cryo-microscopy are powerful methods to determine three-dimensional macromolecular structures, which are required to understand biological processes and to develop new therapeutics against diseases. The overall structure-solution workflow is similar for these techniques, but nuances exist because the properties of the reduced experimental data are different. Software tools for structure determination should therefore be tailored for each method. Phenix is a comprehensive software package for macromolecular structure determination that handles data from any of these techniques. Tasks performed with Phenix include data-quality assessment, map improvement, model building, the validation/rebuilding/refinement cycle and deposition. Each tool caters to the type of experimental data. The design of Phenix emphasizes the automation of procedures, where possible, to minimize repetitive and time-consuming manual tasks, while default parameters are chosen to encourage best practice. A graphical user interface provides access to many command-line features of Phenix and streamlines the transition between programs, project tracking and re-running of previous tasks.

59 BASIC BIOLOGICAL SCIENCES↗

Foundational Open Source Solar System Modeling Through Improvement and Validation of the System Advisor Model and PVWatts (FY19-FY21 Final Technical Report)

Accelerating intelligent deployment of solar energy technologies demands accurate system modeling every step of the way. From project development to policy research, grid integration studies to development of novel technologies, industry and researchers alike need validated, transparent, easy-to-use, extensible, cutting-edge, and accurate models of both the performance and financing of solar systems. The System Advisor Model (SAM) and PVWatts tools provide a platform to fill that need. The overarching goal of this set of software tools is to enable accurate PV system modeling across the industry, and our usage metrics indicate that we continue to succeed in that endeavor, with a user starting SAM every 2 minutes globally, and over 17 million PVWatts hits per month. This project leveraged DOEs past investment in the SAM and PVWatts platforms to continue to provide valuable and extensible PV, battery, and financial modeling resources to the larger solar community. We pursued multiple avenues in parallel: software maintenance and technical support that are foundational to the continued usability of the SAM and PVWatts platforms; platform and PV model improvements and stakeholder engagement activities that are core to the continued relevance of the platforms; and open source activities to foster the continued creation of a vibrant open-source community around the SAM and PVWatts tools, which opens up exciting new opportunities for industry interaction.

14 SOLAR ENERGY↗

SU-F-T-80: A Mobile Application for Intra-Operative Electron Radiotherapy Treatment Planning

Purpose: Intraoperative electron radiotherapy (IORT) poses a unique set of challenges for treatment planning. Planning must be performed in a busy operating room environment over a short timeframe often with little advance knowledge of the treatment depth or applicator size. Furthermore, IORT accelerators can have a large number of possible applicators, requiring extensive databooks that must be searched for the appropriate dosimetric parameters. The goal of this work is to develop a software tool to assist in the planning process that is suited to the challenges faced in the IORT environment. Methods: We developed a mobile application using HTML5 and Javascript that can be deployed to tablet devices suitable for use in the operating room. The user selects the desired treatment parameters cone diameter, bevel angle, and energy (a total of 141 datasets) and desired bolus. The application generates an interactive display that allows the user to dynamically select points on the depth-dose curve and to visualize the shape of the corresponding isodose contours. The user can indicate a prescription isodose line or depth. The software performs a monitor unit calculation and generates a PDF report. Results: We present our application, which is now used routinely in our IORT practice. It has been employed successfully in over 23 cases. The interactivity of the isodose distributions was found to be of particular use to physicians who are less-frequent IORT users, as well as for the education of residents and trainees. Conclusion: This software has served as a useful tool in IORT planning, and demonstrates the need for treatment planning tools that are designed for the specialized challenges encountered in IORT. This software is the subject of a license agreement with the IntraOp Medical Corporation. This software is the subject of a license agreement between Massachusetts General Hospital / Partners Healthcare and the IntraOp Medical Corporation. CLW is consulting on software development with the IntraOp Medical Corporation.

60 APPLIED LIFE SCIENCES↗

Informed-Proteomics: open-source software package for top-down proteomics

Top-down proteomics involves the analysis of intact proteins. This approach is very attractive as it allows for analyzing proteins in their endogenous form without proteolysis, preserving valuable information about post-translation modifications, isoforms, proteolytic processing or their combinations collectively called proteoforms. Moreover, the quality of the top-down LC-MS/MS datasets is rapidly increasing due to advances in the liquid chromatography and mass spectrometry instrumentation and sample processing protocols. However, the top-down mass spectra are substantially more complex compare to the more conventional bottom-up data. To take full advantage of the increasing quality of the top-down LC-MS/MS datasets there is an urgent need to develop algorithms and software tools for confident proteoform identification and quantification. In this study we present a new open source software suite for top-down proteomics analysis consisting of an LC-MS feature finding algorithm, a database search algorithm, and an interactive results viewer. The presented tool along with several other popular tools were evaluated using human-in-mouse xenograft luminal and basal breast tumor samples that are known to have significant differences in protein abundance based on bottom-up analysis.

Environmental Molecular Sciences Laboratory↗

BEopt-CA (Ex): A Tool for Optimal Integration of EE, DR and PV in Existing California Homes

This project targeted the development of a software tool, BEopt-CA (Ex) (Building Energy Optimization Tool for California Existing Homes), that aims to facilitate balanced integration of energy efficiency (EE), demand response (DR), and photovoltaics (PV) in the residential retrofit1 market. The intent is to provide utility program managers and contractors in the EE/DR/PV marketplace with a means of balancing the integration of EE, DR, and PV.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

LocOO3D User's Manual

Loc003D is a software tool that computes geographical locations for seismic events at regional to global scales. This software has a rich set of features, including the ability to use custom 3D velocity models, correlated observations and master event locations. The Loc003D software is especially useful for research related to seismic monitoring applications, since it allows users to easily explore a variety of location methods and scenarios and is compatible with the CSS3.0 software format used in monitoring applications. The Loc003D software is available on the web at: www.sandia.gov/salsa3d/Software.html The software is packaged with this user's manual and a set of example datasets, the use of which is described in this manual.

58 GEOSCIENCES↗

pCalc User's Manual

pCalc is a software tool that computes travel-time predictions, ray path geometry and model queries. This software has a rich set of features, including the ability to use custom 3D velocity models to compute predictions using a variety of geometries. The pCalc software is especially useful for research related to seismic monitoring applications. The pCalc software is available on the web at: www.sandia.gov/salsa3d/Software.html The software is packaged with this user's manual and a set of example datasets, the use of which is described in this manual.

97 MATHEMATICS AND COMPUTING↗

LocOO3D User's Manual

LocOO3D is a software tool that computes geographical locations for seismic events at regional to global scales. This software has a rich set of features, including the ability to use custom 3D velocity models, correlated observations and master event locations. The LocOO3D software is especially useful for research related to seismic monitoring applications, since it allows users to easily explore a variety of location methods and scenarios and is compatible with the CSS3.0 data format used in monitoring applications. The LocOO3D software, User's Manual, and Examples are available on the web at: https://github.com/sandialabs/LocOO3D For additional information on GeoTess, SALSA3D, RSTT, and other related software, please see: https://github.com/sandialabs/GeoTessJava, www.sandia.gov/geotess, www.sandia.gov/salsa3d, and www.sandia.gov/rstt

58 GEOSCIENCES↗

PCalc User's Manual

PCalc is a software tool that computes travel-time predictions, ray path geometry and model queries. This software has a rich set of features, including the ability to use custom 3D velocity models to compute predictions using a variety of geometries. The PCalc software is especially useful for research related to seismic monitoring applications.

58 GEOSCIENCES↗

Accelerated Data Analytics for Power-System Time-Series (ADAPT) [Final Project Report]

Over the past decade, electric utilities have made significant progress in deploying networks of phasor measurement units (PMUs). The high-speed measurements provided by PMUs are valuable for offline analysis, but the sheer volume of data presents a challenge for utilities. The Accelerated Data Analytics for Power-System Time-Series (ADAPT) project was created to address this challenge by developing SciSync, an open-source software tool that enables utilities to rapidly read, process, analyze, and review grid measurements. SciSync was designed to provide the capabilities of Archive Walker, a research tool developed by PNNL, along with the reliability and performance of commercial-grade software.

24 POWER TRANSMISSION AND DISTRIBUTION↗

WaterTAP: Tool for analysis of water treatment systems

This presentation describes the Water treatment Technoeconomic Assessment Platform (WaterTAP), an open-source software tool to analyze water treatment trains. The presentation was provided to the NAWI Alliance Fall Meeting on November 29th 2023 and it includes an overview of the tool and a couple of analyses demonstrating its capabilities. The analyses include a technoeconomic assessment of a novel membrane-based technology called low salt rejection reverse osmosis and a brackish water desalination train with pretreatment.

Dudchenko, Alexander↗

A Tool for Planning Near-Term Waste Transfers at the Hanford Site - 18491

Washington River Protection Solutions, LLC is developing a software tool designed to simulate near-term waste affecting activities at the Hanford Site. The tool will allow for timely planning and evaluation of near-term operational activities, as well as facilitate feedback incorporation from the field to enable rapid iteration of various planning scenarios for a Multi-Year Operating Plan. Implementation of this tool in the Multi-Year Operating Plan planning process will support building a better connection between execution of daily activities and long-term mission objectives. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

3D Optical Coherence Tomography image processing in BISCAP: characterization of biofilm structure and properties

Abstract Motivation BISCAP is a state-of-the-art tool for automatically characterizing biofilm images obtained from Optical Coherence Tomography. Limited availability of other software tools is reported in the field. BISCAP’s first version processes 2D images only. Processing 3D images is a problem of greater scientific relevance since it deals with the entire structure of biofilms instead of their 2D slices. Results Building on the image-processing principles and algorithms proposed earlier for 2D images, these were adapted to the 3D case, and a more general implementation of BISCAP was developed. The primary goal concerns the extension of the initial methodology to incorporate the depth axis in 3D images; multiple improvements were also made to boost computational performance. The calculation of structural properties and visual outputs was extended to offer new insights into the 3D structure of biofilms. BISCAP was tested using 3D images of biofilms with different morphologies, consistently delivering accurate characterizations of 3D structures in a few minutes using standard laptop machines. Low user dependency is required for image analysis. Availability and implementation BISCAP is available from https://github.com/diogonarciso/BISCAP. All images used in the tutorials and the validation examples are available from https://web.fe.up.pt/∼fgm/biscap3d.

Narciso, Diogo A. C. (ORCID:0000000227767477)↗

MC3

MC3 is a model checking solver that provides a more efficient tool for a widely studied class of problems currently solved by other open-source software tools. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525. SAND2021-4549 O

Rawlings, Blake↗

Automation Scripts for Feeder Analysis using CymPy

SAND2025-00330O Automation Scripts for Feeder Analysis using CymPy is a software tool that uses Python scripts to automate the analysis of power system feeders using CYME software. Utilities and researchers can use it to perform various types of analyses by leveraging the capabilities of CYME. The scripts use the CymPy library to interface with CYME and automate the analysis process. The software uses standard Python libraries along with the Eaton CymPy library. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525

Reno, Matthew↗

NFPA Distributed Energy Resources Safety Training (DERST) For Emergency Responders

The National Fire Protection Association, with support from the Department of Energy, executed a multi-year initiative to develop, enhance, and disseminate Distributed Energy Resources Safety Training (DERST) tools for U.S. emergency responders. As Distributed Energy Resources (DER)—such as solar photovoltaics, battery energy storage systems (ESS), electric vehicles (EVs), and associated infrastructure—become increasingly prevalent, the NFPA identified a critical need for up-to-date standardized, accessible, and effective safety training tailored for the fire service and related public safety professionals. The project delivered a comprehensive suite of educational resources to improve responders’ abilities to safely manage DER-related incidents. This included: • Revised Modular Training Courses: Updated classroom-based DER safety courses, now modular and accessible nationwide through fire academies and the North American Fire Training Directors (NAFTD) network. • Live Burn Testing & Research: A full-scale controlled burn of a DER-equipped residential structure provided real-world data and insights, forming the basis for updated best practices. • A Gamified Simulation Tool – Firefighters Incident Response Simulation Tool (FIRST): A first-of-its-kind, multiplayer, scenario-based simulation using the Unreal Engine 5.0 to train responders in a realistic virtual, multi-DER incident environment. • Field Familiarization Software Tools & Prop Guide: Digital DER field familiarization evolutions software guide and a prop development manual to support field-based DER training exercises, enhancing responders' hands-on familiarity with DER infrastructure and collaboration on virtual incident responses. • National Dissemination Strategy: Strategic partnerships with NAFTD, Vector Solutions, and others enabled wide-scale distribution, with over 5,000 departments accessing resources and 1,100+ departments adopting the simulator in the first seven months. Also provided a web portal for easy access to all training and simulation programs developed under this grant for the U.S. responder community. Key findings from the project—particularly from the burn test—led to paradigm shifts in fire response tactics. For example, traditional approaches to garage fires may be hazardous if DERs are present, due to explosive off gassing and thermal runaway risks. The new training emphasizes scene assessment, stand-off approaches, thermal imaging verification, and careful post-incident cooling of DER components to prevent reignition. This initiative has had a significant national impact, raising awareness, enhancing preparedness, and supporting safer DER incident response practices. Significant engagement from the media, public safety organizations, and PBS coverage has further amplified the reach and adoption of NFPA’s DER safety training, tools, and simulations.

14 SOLAR ENERGY↗

IMS - MS Data Extractor

An automated drift time extraction and computed associated collision cross section software tool for small molecule analysis with ion mobility spectrometry-mass spectrometry (IMS-MS). The software automatically extracts drift times and computes associated collision cross sections for small molecules analyzed using ion mobility spectrometry-mass spectrometry (IMS-MS) based on a target list of expected ions provided by the user.

Source record↗