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DOE OSTI2016

Final Report: Non-Visible, Automated Target Acquisition and Tracking

The Roadside Tracker (RST) represents a new approach to radiation portal monitors. It uses a combination of gamma-ray and visible-light imaging to localize gamma-ray radiation sources to individual vehicles in free-flowing, multi-lane traffic. Deployed as two trailers that are parked on either side of the roadway (Fig. 1); the RST scans passing traffic with two large gamma-ray imagers, one mounted in each trailer. The system compensates for vehicle motion through the imager’s fields of view by using automated target acquisition and tracking (TAT) software applied to a stream of video images. Once a vehicle has left the field of view, the radiation image of that vehicle is analyzed for the presence of a source, and if one is found, an alarm is sounded. The gamma-ray image is presented to the operator together with the video image of the traffic stream when the vehicle was approximately closest to the system (Fig. 2). The offending vehicle is identified with a bounding box to distinguish it from other vehicles that might be present at the same time. The system was developed under a previous grant from the Department of Homeland Security’s (DHS’s) Domestic Nuclear Detection Office (DNDO). This report documents work performed with follow-on funding from DNDO to further advance the development of the RST. Specifically, the primary thrust was to extend the performance envelope of the system by replacing the visible-light video cameras used by the TAT software with sensors that would allow operation at night and during inclement weather. In particular, it was desired to allow operation after dark without requiring external lighting. As part of this work, the system software was also upgraded to allow the use of 64-bit computers, the current generation operating system (OS), software development environment (Windows 7 vs. Windows XP, and current Visual Studio.Net), and improved software version controls (GIT vs. Source Safe.) With the upgraded performance allowed by new computers, and the additional memory available in a 64-bit OS, the system was able to handle greater traffic densities, and this also allowed addition of the ability to handle stop-and-go traffic.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

DOE OSTI2014

SciDAC Visualization and Analytics Center for Enabling Technologies

This project focuses on leveraging scientific visualization and analytics software technology as an enabling technology for increasing scientific productivity and insight. Advances in computational technology have resulted in an "information big bang," which in turn has created a significant data understanding challenge. This challenge is widely acknowledged to be one of the primary bottlenecks in contemporary science. The vision for our Center is to respond directly to that challenge by adapting, extending, creating when necessary and deploying visualization and data understanding technologies for our science stakeholders. Using an organizational model as a Visualization and Analytics Center for Enabling Technologies (VACET), we are well positioned to be responsive to the needs of a diverse set of scientific stakeholders in a coordinated fashion using a range of visualization, mathematics, statistics, computer and computational science and data management technologies.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

SU-G-TeP4-09: Development of a Plan Data Aggregator for Time Efficient Physics Second-Checks of Machine Parameters for External Beam Treatment Plans

Purpose: Physics second-checks for external beam radiation therapy are performed, in-part, to verify that the machine parameters in the Record-and-Verify (R&V) system that will ultimately be sent to the LINAC exactly match the values initially calculated by the Treatment Planning System (TPS). While performing the second-check, a large portion of the physicists’ time is spent navigating and arranging display windows to locate and compare the relevant numerical values (MLC position, collimator rotation, field size, MU, etc.). Here, we describe the development of a software tool that guides the physicist by aggregating and succinctly displaying machine parameter data relevant to the physics second-check process. Methods: A data retrieval software tool was developed using Python to aggregate data and generate a list of machine parameters that are commonly verified during the physics second-check process. This software tool imported values from (i) the TPS RT Plan DICOM file and (ii) the MOSAIQ (R&V) Structured Query Language (SQL) database. The machine parameters aggregated for this study included: MLC positions, X&Y jaw positions, collimator rotation, gantry rotation, MU, dose rate, wedges and accessories, cumulative dose, energy, machine name, couch angle, and more. Results: A GUI interface was developed to generate a side-by-side display of the aggregated machine parameter values for each field, and presented to the physicist for direct visual comparison. This software tool was tested for 3D conformal, static IMRT, sliding window IMRT, and VMAT treatment plans. Conclusion: This software tool facilitated the data collection process needed in order for the physicist to conduct a second-check, thus yielding an optimized second-check workflow that was both more user friendly and time-efficient. Utilizing this software tool, the physicist was able to spend less time searching through the TPS PDF plan document and the R&V system and focus the second-check efforts on assessing the patient-specific plan-quality.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2015

SU-E-T-211: Comparison of Seven New TrueBeam Linacs with Enhanced Beam Data Conformance Using a Beam Comparison Software Tool

Purpose: To develop an independent software tool to assist in commissioning linacs with enhanced beam conformance, as well as perform ongoing QA for dosimetrically equivalent linacs. Methods: Linac manufacturers offer enhanced beam conformance as an option to allow for clinics to complete commissioning efficiently, as well as implement dosimetrically equivalent linacs. The specification for enhanced conformance includes PDD as well as profiles within 80% FWHM. Recently, we commissioned seven Varian TrueBeam linacs with enhanced beam conformance. We developed a software tool in Visual Basic to allow us to load the reference beam data and compare our beam data during commissioning to evaluate enhanced beam conformance. This tool also allowed us to upload our beam data used for commissioning our dosimetrically equivalent beam models to compare and tweak each of our linac beams to match our modelled data in Varian’s Eclipse TPS. This tool will also be used during annual QA of the linacs to compare our beam data to our baseline data, as required by TG-142. Results: Our software tool was used to check beam conformance for seven TrueBeam linacs that we commissioned in the past six months. Using our tool we found that the factory conformed linacs showed up to 3.82% difference in their beam profile data upon installation. Using our beam comparison tool, we were able to adjust the energy and profiles of our beams to accomplish a better than 1.00% point by point data conformance. Conclusion: The availability of quantitative comparison tools is essential to accept and commission linacs with enhanced beam conformance, as well as to beam match multiple linacs. We further intend to use the same tool to ensure our beam data conforms to the commissioning beam data during our annual QA in keeping with the requirements of TG-142.

43 PARTICLE ACCELERATORS↗

DOE OSTI2020

Visualizing biomolecular electrostatics in virtual reality with UnityMol-APBS

The APBS software was developed to solve the equations of continuum electrostatics for large biomolecular assemblages. APBS has enjoyed widespread adoption throughout the biomedical community and is used in numerous applications involving biomolecular structures. However, visualization of complex biomolecular electrostatic properties can be challenging for two-dimensional graphics systems. Therefore, advanced visualization and manipulation capabilities have been incorporated. In particular, APBS tools have been integrated with the UnityMolX virtual reality platform to provide an immersive experience for preparing biomolecular systems for calculations as well as visualizing and comparing calculated results.

electrostatics, molecular visualization, solvation↗

DOE OSTI2018

Analysis of N-dimensional Klein–Gordon equation for hydrogen molecule in the non-central potential field

We investigate a complete normalized relativistic solutions for N-dimensional Hartmann potential and relativistic effects of non-central potential field for hydrogen molecule within the framework of asymptotic iteration approach. We also discuss in detail the influence of dimensions on the angular probability distribution of hydrogen molecule. N-dimensional bound state wavefunction solutions including angular and radial solutions are expressed in terms of the Jacobi and Laguerre polynomials, respectively. N-dimensional angular wavefunctions of hydrogen molecule were visualized with Matlab software. In hyperspherical coordinates, the recurrence relations between diagonal matrix elements have been derived for N-dimensional Hartmann potential in relativistic theory. We also obtain analytical expressions of diagonal matrix elements and the recurrence formula between off-diagonal matrix elements in N-dimensions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2018

A new synchrotron rapid-scanning X-ray fluorescence (SRS-XRF) imaging station at SSRL beamline 6-2

This paper describes a new large-range rapid-scan X-ray fluorescence (XRF) imaging station at beamline 6-2 at the Stanford Synchrotron Radiation Lightsource at SLAC National Accelerator Laboratory. This station uses a continuous rapid-scan system with a scan range of 1000 × 600 mm and a load capacity of up to 25 kg, capable of 25–100 µm resolution elemental XRF mapping and X-ray absorption spectroscopy (XAS) of a wide range of objects. XRF is measured using a four-element Hitachi Vortex ME4 silicon drift detector coupled to a Quantum Detectors Xspress3 multi-channel analyzer system. A custom system allows the X-ray spot size to be changed quickly and easily via pinholes ranging from 25 to 100 µm, and the use of a poly-capillary or axially symmetric achromatic optic may achieve a <10 µm resolution in the future. The instrument is located at wiggler beamline 6-2 which has an energy range of 2.1–17 keV, creating K emission for elements up to strontium, and L or M emission for all other elements. XAS can also be performed at selected sample positions within the same experiment, allowing for a more detailed chemical characterization of the elements of interest. Furthermore, sparse excitation energy XRF imaging can be performed over a wide range of incident X-ray energies. User friendliness has been emphasized in all stages of the experiment, including versatile sample mounts, He purged chambers for low- Z analyses, and intuitive visualization hardware and software. The station provides analysis capabilities for a wide range of materials and research fields including biological, chemical, environmental and materials science, paleontology, geology and cultural heritage.

47 OTHER INSTRUMENTATION↗

DOE OSTI2014

SU-E-T-362: Automatic Catheter Reconstruction of Flap Applicators in HDR Surface Brachytherapy

Purpose: Catheter reconstruction is crucial for the accurate delivery of radiation dose in HDR brachytherapy. The process becomes complicated and time-consuming for large superficial clinical targets with a complex topology. A novel method for the automatic catheter reconstruction of flap applicators is proposed in this study. Methods: We have developed a program package capable of image manipulation, using C++class libraries of The-Visualization-Toolkit(VTK) software system. The workflow for automatic catheter reconstruction is: a)an anchor point is placed in 3D or in the axial view of the first slice at the tip of the first, last and middle points for the curved surface; b)similar points are placed on the last slice of the image set; c)the surface detection algorithm automatically registers the points to the images and applies the surface reconstruction filter; d)then a structured grid surface is generated through the center of the treatment catheters placed at a distance of 5mm from the patient's skin. As a result, a mesh-style plane is generated with the reconstructed catheters placed 10mm apart. To demonstrate automatic catheter reconstruction, we used CT images of patients diagnosed with cutaneous T-cell-lymphoma and imaged with Freiburg-Flap-Applicators (Nucletron™-Elekta, Netherlands). The coordinates for each catheter were generated and compared to the control points selected during the manual reconstruction for 16catheters and 368control point Results: The variation of the catheter tip positions between the automatically and manually reconstructed catheters was 0.17mm(SD=0.23mm). The position difference between the manually selected catheter control points and the corresponding points obtained automatically was 0.17mm in the x-direction (SD=0.23mm), 0.13mm in the y-direction (SD=0.22mm), and 0.14mm in the z-direction (SD=0.24mm). Conclusion: This study shows the feasibility of the automatic catheter reconstruction of flap applicators with a high level of positioning accuracy. Implementation of this technique has potential to decrease the planning time and may improve overall quality in superficial brachytherapy.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

SU-G-JeP3-10: Update On a Real-Time Treatment Guidance System Using An IR Navigation System for Pleural PDT

Purpose: Photodynamic therapy (PDT) is used in conjunction with surgical debulking of tumorous tissue during treatment for pleural mesothelioma. One of the key components of effective PDT is uniform light distribution. Currently, light is monitored with 8 isotropic light detectors that are placed at specific locations inside the pleural cavity. A tracking system with real-time feedback software can be utilized to improve the uniformity of light in addition to the existing detectors. Methods: An infrared (IR) tracking camera is used to monitor the movement of the light source. The same system determines the pleural geometry of the treatment area. Software upgrades allow visualization of the pleural cavity as a two-dimensional volume. The treatment delivery wand was upgraded for ease of light delivery while incorporating the IR system. Isotropic detector locations are also displayed. Data from the tracking system is used to calculate the light fluence rate delivered. This data is also compared with in vivo data collected via the isotropic detectors. Furthermore, treatment volume information will be used to form light dose volume histograms of the pleural cavity. Results: In a phantom study, the light distribution was improved by using real-time guidance compared to the distribution when using detectors without guidance. With the tracking system, 2D data can be collected regarding light fluence rather than just the 8 discrete locations inside the pleural cavity. Light fluence distribution on the entire cavity can be calculated at every time in the treatment. Conclusion: The IR camera has been used successfully during pleural PDT patient treatment to track the motion of the light source and provide real-time display of 2D light fluence. It is possible to use the feedback system to deliver a more uniform dose of light throughout the pleural cavity.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2017

File format for normalizing radiological concentration exposure rate and dose rate data for the effects of radioactive decay and weathering processes

This report specifies the electronic file format that was agreed upon to be used as the file format for normalized radiological data produced by the software tool developed under this TI project. The NA-84 Technology Integration (TI) Program project (SNL17-CM-635, Normalizing Radiological Data for Analysis and Integration into Models) investigators held a teleconference on December 7, 2017 to discuss the tasks to be completed under the TI program project. During this teleconference, the TI project investigators determined that the comma-separated values (CSV) file format is the most suitable file format for the normalized radiological data that will be outputted from the normalizing tool developed under this TI project. The CSV file format was selected because it provides the requisite flexibility to manage different types of radiological data (i.e., activity concentration, exposure rate, dose rate) from other sources [e.g., Radiological Assessment and Monitoring System (RAMS), Aerial Measuring System (AMS), Monitoring and Sampling). The CSV file format also is suitable for the file format of the normalized radiological data because this normalized data can then be ingested by other software [e.g., RAMS, Visual Sampling Plan (VSP)] used by the NA-84’s Consequence Management Program.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Large-Scale Atomistic Simulations: Investigating Free Expansion

The experiment investigates free expansion of a supercritical fluid into a two-phase liquid-vapor coexistence region. A huge molecular dynamics simulation (6 billion Lennard-Jones atoms) was run on 5760 GPUs (33% of LLNL Sierra) using LAMMPS/Kokkos software. This improved visualization workflow and started preliminary simulations of aluminum using SNAP machine learning potential.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2015

SU-E-J-09: Image Quality Comparison and Dose Quantification for 2.5 MV

Purpose: To compare the image quality of the 2.5MV imaging beam (2.5X-IMB) to that of a 6MV beam and to quantify the imaging dose of a 2.5X-IMB for constancy as specified by AAPM TG-142 Methods: The image quality of the 2.5X-IMB was compared to the 6MV imaging beam using the SNC ImagePro MV-QA phantom and the Varian supplied Las Vegas phantom (LVP). High resolution (1280×1280×16, 2 frames at 1.5MU/frame) and low resolution (640×640×16, 2 frames at 0.75MU/frame) images were compared for each phantom. MV-QA phantom images were evaluated quantitatively, and the LVP images were evaluated qualitatively. The imaging dose for 2.5X-IMB was quantified using the procedure outlined in TG51. PTWCC13-31013 chambers were used to measure a percent depth dose (PDD) curve for the 2.5X-IMB. All the factors described in TG51 were calculated using the 2.5X-IMB and a PTW30013 farmer chamber. Results: A comparison between 2.5X-IMB and 6MV image quality was performed both visually and with DoseLab software. The optimal window and level were set for each image of the LVP by the user. Visual inspection showed greater contrast resolution with the 2.5MV beam, but no significant difference with the change in imaging resolution. DoseLab reported similar spatial resolutions between the two energies, but the contrast-to-noise ratio (CNR) was greater for 2.5MV. The PDDx(10cm) for a 10x10cm2 field was measured to be 51.5%. Although this PDD value is off the scale of Figure 4 in TG51, the trend of the curve corresponding to the PTW31003 (equivalent) chamber led to an approximate kQ value of 1.00. Conclusion: When compared to 6MV imaging, 2.5X-IMB results in a better CNR. At low resolution, the DoseLab results for the two energies are comparable, but visual analysis favors the 2.5X-IMB images. Imaging dose was quantified for the 2.5X-IMB after following the TG51 methodology with appropriate approximations.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2020

Portable interactive visualization of large-scale simulations in geotechnical engineering using Unity3D

Development in large-scale geotechnical engineering simulation places tremendous demand for efficient visualization of such simulation data. This study presents a lightweight software tool, i.e. Geotechnical Interactive Visualization (GIV), as a solution to this challenge, which achieves efficient interactive visualization of large-scale simulations data in geotechnical engineering. Visualization data flow and algorithms specifically optimized for common geotechnical engineering applications are implemented in GIV. GIV can visualize geotechnical structure models with time-varying attributes attached to mesh with fixed topology, and also models with time-varying mesh topologies but no attributes attached, the two most common visualization tasks in geotechnical engineering. Furthermore, challenges for large-scale simulation data visualization, including parallel simulation data redundancy, massive data size, dynamic user interaction, and portability are overcome via specifically designed algorithms for simulation data preprocessing and optimized visualization modules using the powerful 3D rendering and interactive game engine Unity3D. Comparison of GIV with several widely used visualization tools for the visualization of large-scale idealized datasets and realistic geotechnical simulations highlights the visualization efficiency, smooth interactivity, and lightweight features of GIV.

42 ENGINEERING↗

DOE OSTI2019

Behavior specification, finding main, and call graph visualizations

A process transforms compiled software into a semantic form. The process transforms the code into a semantic form. The process analyzes behavior functionality by processing precise programming behavior abstractions stored in a memory and classifies the code as malware based on the code behavior. Another method identifies the starting point of execution of a compiled program. The method calculates a complexity measure by calculating the number of potential execution paths of local functions; identifies the number of arguments passed to local functions; and identifies the starting point of execution of the compiled program. Another method provides interactive, dynamic visualization of a group of related functions wherein a user can explore the rendered graph and select a specific function and display functions that are color coded by their ancestral relation and their function call distance to the selected function.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Scribe Network API v.1.0.0

SAND2023-07864O Scribe Network API is an add-on tool for Scribe3D software. Scribe Network API documents tabletop exercises in trainings and plays back simulated videos of the scenarios and responses. Users can apply the software to compiled projects, or to a simple visual studio project solution package. The software runs a web application that relays information between computers using Scribe3D through a web application, or web app. The web app involves a representational state transfer (REST) application programming interface that handles sending and receiving Scribe save files and an SQL server that stores the save files. This follow-on package allows users to facilitate a networked tabletop exercise. 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.

Noel, Todd↗

DOE OSTI2026

MCP-eGridGPT (MCP-Enabled Chatbot with Electrical Power System Analysis and Interactive Visualization Tool) [SWR-25-126]

This software is an advanced chatbot system that integrates the Model Context Protocol (MCP) to provide intelligent electrical power system analysis and automated visualization generation. The system enables users to interact with complex electrical engineering tools through natural language, automatically analyzes power system data for voltage violations and grid health assessment, and generates professional interactive HTML dashboards and reports. Key features include dynamic tool discovery from MCP servers, multi-LLM provider support, intelligent data interpretation using large language models, automated chart generation, and a web-based interface for real-time analysis. The software bridges sophisticated electrical engineering analysis with user-friendly interfaces, making power system diagnostics accessible through conversational AI.

Choi, Seong [National Laboratory of the Rockies (N↗

DOE OSTI2016

Telemetry Analysis and Visualization Suite v. 2.2.0

This software provides a comprehensive set of tools for acquiring, extracting and analyzing any serial or packetized data stream, especially telemetry data. These tools enable real-time data acquisition, display, distribution and immediate post-test analysis.

Nguyen, Tram↗

DOE OSTI2019

eSHAFTS: Integrated and graphical drug design software based on 3D molecular similarity

With the development of computer technology, computer‐aided drug design (CADD) has become an important means for drug research and development, and its representative method is virtual screening. Various virtual screening platforms have emerged in an endless stream and play great roles in the field of drug discovery. With the increasing number of compound molecules, virtual screening platforms face two challenges: low fluency and low visibility of software operations. In this article, we present an integrated and graphical drug design software eSHAFTS based on three‐dimensional (3D) molecular similarity to overcome these shortcomings. Compared with other software, eSHAFTS has four main advantages, which are integrated molecular editing and drawing, interactive loading and analysis of proteins, multithread and multimode 3D molecular similarity calculation, and multidimensional information visualization. Experiments have verified its convenience, usability, and reliability. By using eSHAFTS, various tasks can be submitted and visualized in one desktop software without locally installing any dependent plug‐ins or software. The software installation package can be downloaded for free at http://lilab.ecust.edu.cn/home/resource.html . © 2019 Wiley Periodicals, Inc.

He, Gaoqi↗