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At least 631 records · Page 35

VTAnDeM: A python toolkit for simultaneously visualizing phase stability, defect energetics, and carrier concentrations of materials

Phase stability, defect formation energies, and carrier concentrations are closely interrelated features of semiconductors. Due to their joint dependence on the multidimensional chemical potential space, it is challenging to quantitatively establish patterns between these quantities in a given semiconductor, especially when the semiconductor is comprised of multiple elements. To enable synchronous visualization and analysis of these complementary material properties and their interdependence, we developed the Visualization Toolkit for Analyzing Defects in Materials (VTAnDeM). This python-based toolkit allows users to interactively explore how defect formation energies and carrier concentrations vary across the composition and chemical potential spaces of multicomponent semiconductors. Here, we illustrate the computational workflow that employs VTAnDeM as a post-processing tool for first-principles calculations and describe the data organization and theory underlying the visualization scheme. Furthermore, we believe that this software will serve as a useful tool for simultaneously visualizing the often complex and non-intuitive chemical potential – defect – carrier concentration phase space of semiconductors.

36 MATERIALS SCIENCE↗

Immersive Digital Twin Laboratory for Engineering Education (CRADA Final Report)

This project aimed to create an immersive digital twin laboratory that incorporates advanced tracking and visualization capabilities. In collaboration with Fort Lewis College, NREL designed a state-of-the-art physical visualization laboratory, developed a software platform to enable interaction with tracked physical objects in the laboratory, and provided proof-of-concept curricula that included manipulating these tracked objects. The project was initiated to address the growing need for innovative educational tools in engineering education. As renewable energy systems, particularly solar installations, become more complex, there is a pressing need to bridge the gap between theoretical knowledge and practical application. Traditional methods of teaching solar engineering concepts often fall short of providing students with a comprehensive, hands-on understanding. This immersive digital twin laboratory was conceived to fill that gap by creating a safe, non-energized setting where students can interact with augmented solar installation objects, gaining valuable insights into system performance, design, and maintenance. The project utilized extended reality (XR) technologies, including head-mounted displays (HMDs) and a whole-room optical motion tracking system, to connect physical objects with their digital twins in real time. The laboratory was equipped with MagicLeap 2 HMDs, supported by a Vicon Vero 2.2 Optical Tracking System, which provided precise 6-degrees-of-freedom (6-DOF) tracking. We developed a software platform to manage the interaction between the tracked physical objects and their virtual counterparts, enabling real-time data synchronization, object recognition, and virtual overlays. We designed the system to be flexible and extendable, allowing for future integration of additional objects and curriculum. This research advances the field of engineering education by demonstrating the potential of immersive digital twin environments. The laboratory provides a dynamic learning space where students can experiment, collaborate, and learn without the risks associated with live experimentation. The ability to simulate and manipulate solar installation objects under various conditions has broad implications for workforce development, particularly in renewable energy. The project also highlights the economic feasibility of using XR technologies in educational settings, offering a cost-effective solution for institutions looking to enhance their curriculum. By fostering a deeper understanding of solar energy systems, this work contributes to the broader goal of supporting the global energy transition and preparing the next generation of engineers and technicians.

24 POWER TRANSMISSION AND DISTRIBUTION↗

How does the connectivity of open-framework conglomerates within multi-scale hierarchical fluvial architecture affect oil-sweep efficiency in waterflooding?

Understanding multi-phase fluid flow and transport processes within aquifers, candidate reservoirs for CO 2 sequestration, and petroleum reservoirs requires understanding a diverse set of geologic properties of the aquifer or reservoir, over a wide range of spatial and temporal scales. We focus on multiphase flow dynamics with wetting (e.g., water) and non-wetting (e.g., gas or oil) fluids, with one invading another. This problem is of general interest in a number of fields and is illustrated here by considering the sweep efficiency of oil during a waterflood. Using a relatively fine-resolution grid throughout a relatively large domain in these simulations and probing the results with advanced scientific visualization tools (Reservoir Visualization Analysis [RVA]/ ParaView software) promote a better understanding of how smaller-scale features affect the aggregate behavior at larger scales. We studied the effects on oil-sweep efficiency of the proportion, hierarchical organization, and connectivity of high-permeability open-framework conglomerate (OFC) cross-sets within the multi-scale stratal architecture found in fluvial deposits. We further analyzed oil production rate, water breakthrough time, and spatial and temporal distribution of residual oil saturation. As expected, the effective permeability of the reservoir exhibits large-scale anisotropy created by the organization of OFC cross-sets within unit bars, and the organization of unit bars within compound- bars. As a result, oil-sweep efficiency critically depends on the direction of the pressure gradient. However, contrary to expectations, the total amount of trapped oil due to the effect of capillary trapping does not depend on the magnitude of the pressure gradient within the examined range. Hence the pressure difference between production and injection wells does not affect sweep efficiency; although the spatial distribution of oil remaining in the reservoir depends on this value. Whether or not clusters of connected OFC span the domain affects only the absolute rate of oil production—not sweep efficiency.

58 GEOSCIENCES↗

Stereo and IMU-Assisted Visual Odometry for Small Robots

This software performs two functions: (1) taking stereo image pairs as input, it computes stereo disparity maps from them by cross-correlation to achieve 3D (three-dimensional) perception; (2) taking a sequence of stereo image pairs as input, it tracks features in the image sequence to estimate the motion of the cameras between successive image pairs. A real-time stereo vision system with IMU (inertial measurement unit)-assisted visual odometry was implemented on a single 750 MHz/520 MHz OMAP3530 SoC (system on chip) from TI (Texas Instruments). Frame rates of 46 fps (frames per second) were achieved at QVGA (Quarter Video Graphics Array i.e. 320 240), or 8 fps at VGA (Video Graphics Array 640 480) resolutions, while simultaneously tracking up to 200 features, taking full advantage of the OMAP3530's integer DSP (digital signal processor) and floating point ARM processors. This is a substantial advancement over previous work as the stereo implementation produces 146 Mde/s (millions of disparities evaluated per second) in 2.5W, yielding a stereo energy efficiency of 58.8 Mde/J, which is 3.75 better than prior DSP stereo while providing more functionality.

Source record↗

On Development of Three-Dimensional Visualization Capabilities in Glenn Research Center Communication Analysis Suite

With NASA’s upcoming mission to return to the Moon sustainably by 2024 and using that success as a means to step onto the barren world of Mars, it remains more important than ever to conduct research and planning as thoroughly and efficiently as possible. In a mission as complex as landing humans onto another celestial body, a network of orbiting satellites and ground stations must accurately and reliably communicate with each other, enabling crucial data communications throughout the mission. Visualizing this important data communication increases the understanding of the data and can accelerate analyses efforts. The purpose of this software development is to create an interactive visualization with data taken MATLAB® scripts in the GRC Communication Analysis Suite that is easy to understand, can show all necessary data, and display the data accurately. The main types of data to visualize are from the State Propagation, Line of Sight and Dynamic Link Margin scripts. These all show positions and orbits of satellites and ground stations, while the Line of Sight data shows when they have the ability to communicate with each other based on their respective antenna positions and fields of view. Additionally, the Dynamic Link Margin mode color-codes the communication link performance onto the Line of Sight access lines. Visualization requires a graphics language that is easily accessible, has the needed features, and able to easily read data produced by the GRC Communication Analysis Suite MATLAB® scripts. ThreeJS, a graphics library for Web Graphics Library, coded in JavaScript was selected for the visualization. The next part of the software development was to move the data from MATLAB® to the JavaScript. The best way to accomplish this was to implement a MATLAB® function converting the output data of the scripts to a JavaScript Object Notation file. A key part of the development was creating the visualization within JavaScript and ThreeJS to visualize any combination of planets, moons, orbits, satellites, ground stations, line of sight links, and handle future features without changing major parts of the code. The current visualization capability runs directly from MATLAB®, and can dynamically create any scene. This software development currently supports the lunar communications analysis underway by NASA, and can be easily expanded upon in the future to aid any analysis requirements to help plan current and future space missions.

Visualization↗

Performance efficient macromolecular mechanics via sub-nanometer shape based coarse graining

Dimensionality reduction via coarse grain modeling is a valuable tool in biomolecular research. For large assemblies, ultra coarse models are often knowledge-based, relying on a priori information to parameterize models thus hindering general predictive capability. Here, we present substantial advances to the shape based coarse graining (SBCG) method, which we refer to as SBCG2. SBCG2 utilizes a revitalized formulation of the topology representing network which makes high-granularity modeling possible, preserving atomistic details that maintain assembly characteristics. Further, we present a method of granularity selection based on charge density Fourier Shell Correlation and have additionally developed a refinement method to optimize, adjust and validate high-granularity models. We demonstrate our approach with the conical HIV-1 capsid and heteromultimeric cofilin-2 bound actin filaments. Our approach is available in the Visual Molecular Dynamics (VMD) software suite, and employs a CHARMM-compatible Hamiltonian that enables high-performance simulation in the GPU-resident NAMD3 molecular dynamics engine.

59 BASIC BIOLOGICAL SCIENCES↗

Development of x-ray imaging technique for liquid screening at airport

X-ray imaging technology is a viable option to recognize flammable liquids for the purposes of aviation security. In this study, an X-ray imaging technology was developed whereby, the image viewing system was built with the use of a digital camera coupled with a gadolinium oxysulfide (GOS) fluorescent screen. The camera was equipped with a software for remote control setting of the camera via a USB cable which allows the images to be captured. The image was analysed to determine the average grey level using a software designed by Microsoft Visual Basic 6.0. The data was obtained for various densities of liquid thickness of 4.5 cm, 6.0 cm and 7.5 cm respectively for X-ray energies ranging from 70 to 200 kVp. In order to verify the reliability of the constructed calibration data, the system was tested with a few types of unknown liquids. The developed system could be conveniently employed for security screening in order to discriminate between a threat and an innocuous liquid.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Smart Planning for Radioactive Source Transport Advanced Tools for Increased Safety and Efficiency

End-of-life (EOL) management of high-activity radioactive sources is made uniquely challenging by the inherent risks associated with storage and transportation of these sources, the complex logistics involved, and the strict requirements for regulatory compliance. Traditional methods lack comprehensive tools for accurate site assessments and precision planning for the transportation of radioactive sources. They also frequently fail to provide the adaptability required to consider diverse operational environments, resulting in inefficiencies and potential safety concerns. This paper introduces a novel software solution developed to address these issues by integrating advanced technologies such as light detection and ranging (LiDAR)-based 3D environment modeling, smart dynamic route planning, and customizable measurement functionalities. This software enables detailed terrain visualizations, facilitating thorough environmental assessments and enabling users to virtually navigate, analyze, and plan site-specific operations. Among the key features are a user-centric interface for virtual navigation, precise site measurement tools for site evaluations, interactive visualizations that highlight potential operational hazards, dynamic route planning capabilities, and real-time collision detection to promote safe workflows. By demonstrating the effectiveness of this tool through real-world application, the present work underscores the tool’s potential to revolutionize radioactive source EOL management by improving operational efficiencies, minimizing risk, and advancing the state of practice to achieve suitable and secure radioactive material handling.

99 - GENERAL AND MISCELLANEOUS↗

A New Default Colormap for ParaView

ParaView is one of the most prominent software tools for scientific visualization used by scientists around the world. Color is a primary conduit to visually map data to its representation and, thus, enable investigation and interpretation of the data. Colormap selection has a significant impact on the data revealed; its design and selection is a critical aspect of scientific data visualization. A common choice for a user is the program’s default colormap, so careful consideration of this default is consequential. Although the current default colormap in ParaView, a succession of hues from cool blue to warm red, has served the community well, research shows that more nuanced colormap configurations increase discriminability while maintaining other critical metrics. These findings inspire us to revisit and update the default colors in ParaView. Here, in this study, we present a new ParaView default colormap, the criteria and methods of development, and example visualizations and analytic metrics.

97 MATHEMATICS AND COMPUTING↗

Vertical-Axis Wind Turbine Mesh Generator

VAWTGen is a mesh generator for creating a finite element beam mesh of arbitrary vertical-axis wind turbines (VAWT). The software accepts input files specifying tower and blade structural and aerodynamic descriptions and constructs a VAWT using a minimal set of inputs. VAWTs with an arbitrary number of blades can be constructed with or without a central tower. Strut connections between the tower and blades can be specified in an arbitrary manner. The software also facilitates specifying arbitrary joints between structural components and concentrated structural tenns (mass and stiffness). The output files which describe the VAWT configuration are intended to be used with the Offshore Wind ENergy Simulation (OWENS) Toolkit software for structural dynamics analysis of VAWTs. Furthermore, VAWTGen is useful for visualizing output from the OWENS analysis software.

Owens, BrianC.↗

Accelerated Climate Modeling For Energy

This is the final report on the work of the New York University team to the DOE Accelerated Climate Modeling For Energy (ACME) project. NYU was one of the original developers of the UV-CDAT tool for climate data analysis, which is being used in ACME. NYU primarily focused on the analysis package graphical user interface, workflow and provenance functionality. The most significant activities in the last year of the grant were the development of the new plotting system in UVCMetrics package and the package EzLinePlot for 1D plots which are described in detail.

54 ENVIRONMENTAL SCIENCES↗

Proceedings of the 1998 International Computational Accelerator Physics Conference

The 1998 International Computational Accelerator Physics Conference, ICAP’98, was held September 14-18, 1998, at the Monterey Convention Center in Monterey, California. The meeting continued the tradition of four earlier Computational Accelerator Physics conferences, held in La Jolla, California (1988), Los Alamos, New Mexico (1990), Pleasanton, California (1993), and Williamsburg, Virginia (1996). ICAP’98 was organized by the Stanford Linear Accelerator Center (SLAC), Los Alamos National Laboratory (LANL), and the National Energy Research Scientific Computing Center (NERSC), and received support from the U.S. Department of Energy. The aim of this conference series is to discuss recent advances in Computational Accelerator Physics and their applications to solving important problems related to present and future accelerators. The ICAP’98 program included plenary sessions on modeling challenges in next-generation accelerators, state-of-the art methods in computational accelerator physics, and a view of what high-end computing would be like in the 21st century. There were also focused sessions on accelerator design and control, modeling high intensity beam phenomena, electromagnetic modeling, advanced algorithms, software environments and libraries, visualization and graphic interfaces, modeling advanced accelerator concepts, modeling the beam-beam interaction, computing wakefields, and combined particle/field simulations. In addition to these oral sessions there was a poster session and a vendor display. Prior to the start of the technical program, a half-day tutorial on High Performance Computing was hosted by NERSC. The ICAP series recognizes that computing and, in particular, advanced computing, is playing an increasingly important role in the successful design and development of major accelerator facilities, and in research and development leading to advances in accelerator technology. We expect that this new emphasis on high-end computing will continue in future ICAP conferences.

Ko, Kwok↗

Advanced Grid Operational Technology Edge-Level Threat Detection

This report presents a deployable solution to improve the cybersecurity situational awareness of the legacy SCADA system infrastructure in power grids. The main goal of this project is to provide system owners and operators a highly trusted, intelligent alarm system and comprehensive situational awareness of ongoing or potential cybersecurity threats on the grid network. The key contributions of this project include: (1) the development of software, the Intrusion Detection Visualizer for the Operational Technology Network (IViz-OT), to visualize and locate intrusions on the grid network; (2) testing the signature-based Hybrid Intrusion Detection for Energy Systems (HIDES) for different types of intrusions; (3) the integration of HIDES and IViz-OT into the visualization dashboard; and (4) real-time testing using a hardware-in-the-loop test bed.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Accuracy Enhancement of Nuclear Power Plant Simulators Utilizing High Accuracy Simulation Predictions

More recently, reactor core simulators for core designs associated with commercial nuclear power plants that utilize what is believed to be higher fidelity models have been developed. Features such as neutronics models that utilize transport equation solvers with fine spatial meshes and many energy-groups, thermal-hydraulic models that utilize sub-channel solvers with fine spatial mesh and capable of treating a wide range of fluid conditions, and fuel-coolant chemistry interaction models capable of treating CRUD deposition are to be found in these higher fidelity core simulators. These reactor core simulators require access to higher performance computers, characterized by many processors, cores and large memory. So associated with utilization of these simulators is access to high performance computers and ability to accommodate in one’s workflow longer execution times. By contrast, currently used core simulators by the nuclear industry can execute on engineering workstations and have execution times of seconds to minutes. The desirability for having short execution times is not only desired for support of time critical tasks but supports the mental process of decision making by engineers. The goal of the work reported upon here has the objective of retaining the fidelity of higher fidelity models while retaining the ability to utilize engineering workstations. Beyond the core simulator goal, additional goals of this work include incorporating the just described core simulator capability into a Nuclear Steam Supply System (NSSS) simulator, and to incorporate the resulting capability into an environment supportive of design and operational decision making associated with nuclear power stations. The model selected for the core neutronics model is the NESTLE code, for the core thermal-hydraulic model is the CTF code utilizing coarse mesh, and for the NSSS model is the RELAP5-3D code. WSC’s proprietary 3KEYMASTERTM platform is being used to provide software coupling, user interface, visualization, and reporting. The NESTLE core neutronics simulator was first integrated with the CTF core thermal-hydraulic simulator using CTF developed communication commands which are also used for CTF to communicate with RELAP5-3D under WSC’s proprietary 3KEYMASTERTM platform. To assure NESTLE prediction consistency with higher fidelity core neutronic simulators, buffer codes have been created to automatically generate from output files written by the VERA core simulator the NESTLE nodal neutronic parameter’ library, geometry, and pin-power reconstruction input files, thereby avoiding a number of challenges associated with utilizing lattice physics codes and providing consistency with VERA predictions. To treat absorber rod effects a multi-set library is utilized, where a set refers to a specific absorber rod fully inserted pattern. A coarse spatial mesh CTF model was developed with features added that support using CTF as envisioned in the engineering quality simulator. A hybrid meshing approach was implemented to allow for automated construction of models with mixed levels of refinement. Specifically, a core model could resolve some assemblies at a nodal level (4 subchannels per assembly) and others at a pin-resolution (one subchannel per coolant subchannel in the assembly). The intention is that this will allow for better resolution of limiting conditions such as DNBR and PCT, which are based on local rod and subchannel conditions. Further development was done of features that enhance the capabilities for the envisioned engineering quality simulator that has been developed, but now for RELAP-3D. The RELAP5-3D code development includes ability to model more than 999 components and the addition of the cross-channels turbulence mixing model and the void drift model that are implemented in CTF, aiming to achieve closer prediction agreement of the two codes for transient simulations, specifically, more accurate matches of the overall mass, momentum, and energy exchanges of both the liquid and gas phases between the neighboring core assemblies. Graphics were also developed for the Instructor Station for this project under WSC’s proprietary 3KEYMASTERTM platform to facilitate design and operational decision making.

42 ENGINEERING↗

Endoscopic inspection using a panoramic annular lens

The objective of this one year study was to design, build, and demonstrate a prototype system for cavity inspection. A cylindrical view of the cavity interior was captured in real time through a compound lens system consisting of a unique panoramic annular lens and a collector lens. Images, acquired with a digitizing camera and stored in a desktop computer, were manipulated using image processing software to aid in visual inspection and qualitative analysis. A detailed description of the lens and its applications is given.

Gilbert, John A.↗

Photospheric origins of chromospheric and coronal activity

This contract is for a two-year research study of the origins of activity in the upper atmosphere of the sun. The approach is to collect high resolution images of the lower atmosphere on observing runs at the Swedish Solar Observatory on La Palma, Canary Islands, Spain. The best observations are analyzed and compared with data from other telescopes and/or theoretical models, to study magnetic flux emergence, coronal heating, and various dynamic phenomena and transients. Software for analysis and visualization of the data is developed as needed. The contract is being performed by the Solar and Astrophysics Laboratory, part of the Lockheed Palo Alto Research Laboratory (LPARL) of the Research and Development Division (RDD) of Lockheed Missiles and Space Co., Inc. (LMSC).

Tarbell, Theodore↗

Visualization support for risk-informed decision making when planning and managing software developments

Key decisions are made in the early stages of planning and management of software developments. The information basis for these decisions is often a mix of analogy with past developments, and the best judgments of domain experts. Visualization of this information can support to such decision making by clarifying the status of the information and yielding insights into the ramifications of that information vis-a-vis decision alternatives.

technology infusion↗