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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.

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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

RCSB Protein Data bank: Tools for visualizing and understanding biological macromolecules in 3D

Abstract Now in its 52nd year of continuous operations, the Protein Data Bank (PDB) is the premiere open‐access global archive housing three‐dimensional (3D) biomolecular structure data. It is jointly managed by the Worldwide Protein Data Bank (wwPDB) partnership. The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB) is funded by the National Science Foundation, National Institutes of Health, and US Department of Energy and serves as the US data center for the wwPDB. RCSB PDB is also responsible for the security of PDB data in its role as wwPDB‐designated Archive Keeper. Every year, RCSB PDB serves tens of thousands of depositors of 3D macromolecular structure data (coming from macromolecular crystallography, nuclear magnetic resonance spectroscopy, electron microscopy, and micro‐electron diffraction). The RCSB PDB research‐focused web portal ( RCSB.org ) makes PDB data available at no charge and without usage restrictions to many millions of PDB data consumers around the world. The RCSB PDB training, outreach, and education web portal ( PDB101.RCSB.org ) serves nearly 700 K educators, students, and members of the public worldwide. This invited Tools Issue contribution describes how RCSB PDB (i) is organized; (ii) works with wwPDB partners to process new depositions; (iii) serves as the wwPDB‐designated Archive Keeper; (iv) enables exploration and 3D visualization of PDB data via RCSB.org ; and (v) supports training, outreach, and education via PDB101.RCSB.org . New tools and features at RCSB.org are presented using examples drawn from high‐resolution structural studies of proteins relevant to treatment of human cancers by targeting immune checkpoints.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Enabling Real-Time Volume Rendering of Functional Magnetic Resonance Imaging on an iOS Device

Powerful non-invasive imaging technologies like computed tomography (CT), ultrasound, and magnetic resonance imaging (MRI) are used daily by medical professionals to diagnose and treat patients. While 2D slice viewers have long been the standard, many tools allowing 3D representations of digital medical data are now available. The newest imaging advancement, functional MRI (fMRI) technology, has changed medical imaging from viewing static to dynamic physiology (4D) over time, particularly to study brain activity. Add this to the rapid adoption of mobile devices for everyday work and the need to visualize fMRI data on tablets or smartphones arises. However, there are few mobile tools available to visualize 3D MRI data, let alone 4D fMRI data. Building volume rendering tools on mobile devices to visualize 3D and 4D medical data is challenging given the limited computational power of the devices. This paper describes research that explored the feasibility of performing real-time 3D and 4D volume raycasting on a tablet device. The prototype application was tested on a 9.7” iPad Pro using two different fMRI datasets of brain activity. The results show that mobile raycasting is able to achieve between 20 and 40 frames per second for traditional 3D datasets, depending on the sampling interval, and up to 9 frames per second for 4D data. While the prototype application did not always achieve true real-time interaction, these results clearly demonstrated that visualizing 3D and 4D digital medical data is feasible with a properly constructed software framework.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2016

Immersive Visual Analytics for Transformative Neutron Scattering Science

The ORNL Spallation Neutron Source (SNS) provides the most intense pulsed neutron beams in the world for scientific research and development across a broad range of disciplines. SNS experiments produce large volumes of complex data that are analyzed by scientists with varying degrees of experience using 3D visualization and analysis systems. However, it is notoriously difficult to achieve proficiency with 3D visualizations. Because 3D representations are key to understanding the neutron scattering data, scientists are unable to analyze their data in a timely fashion resulting in inefficient use of the limited and expensive SNS beam time. We believe a more intuitive interface for exploring neutron scattering data can be created by combining immersive virtual reality technology with high performance data analytics and human interaction. In this paper, we present our initial investigations of immersive visualization concepts as well as our vision for an immersive visual analytics framework that could lower the barriers to 3D exploratory data analysis of neutron scattering data at the SNS.

data visualization↗
DOE OSTI2026

Three-Dimensional Grid Visualization for Planning Activities: A Dubai Case Study

National Laboratory of the Rockies (NLR), in collaboration with the Dubai Electricity and Water Authority (DEWA) and Infra-X, has undertaken the Energy Visualization Analysis Project. The aim of this project is to enhance analytical and 3D visualization capabilities for distribution network planning and renewable energy integration. As modern grid continues to evolve with large-scale solar PV deployment and emerging distributed energy resources (DERs), the ability to effectively analyze, visualize, and communicate complex grid behaviors has become increasingly critical. The project focuses on developing empirical use cases based on real distribution feeder data and engineering workflows, ensuring the outcomes are directly aligned with operational environment. Through time-series power flow simulations and nodal hosting capacity analysis, the study quantifies the impacts of high PV penetration on voltage and thermal limits within representative 11 kV feeders. These analyses identify specific nodes and conditions where DER integration challenges arise. Furthermore, a Battery Energy Storage System (BESS) optimization algorithm was applied to determine the optimal size and placement of storage systems that can mitigate network constraints and enhance hosting capacity. The comparative results between base-case and BESS-augmented scenarios clearly demonstrate improvements in network stability and load management efficiency. In parallel, the NLR team developed an immersive 3D visualization framework, enabling interactive exploration of grid simulations using commodity head-mounted display (HMD) systems. This framework transforms conventional 2D simulation data into spatially intuitive visual environments - allowing engineers to analyze feeder conditions, PV hosting potential, and BESS effects in real time. This report represents the first foundational phase in establishing a visualization-driven analytical ecosystem. It provides a methodological foundation for data integration, visualization architecture, and simulation-based decision support, paving the way for large-scale adoption of immersive visualization across DEWA's Smart Grid Initiative, R&D activities, and future network resilience studies.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2015

View-Dependent Streamline Deformation and Exploration

Occlusion presents a major challenge in visualizing 3D flow and tensor fields using streamlines. Displaying too many streamlines creates a dense visualization filled with occluded structures, but displaying too few streams risks losing important features. We propose a new streamline exploration approach by visually manipulating the cluttered streamlines by pulling visible layers apart and revealing the hidden structures underneath. Here this paper presents a customized view-dependent deformation algorithm and an interactive visualization tool to minimize visual cluttering for visualizing 3D vector and tensor fields. The algorithm is able to maintain the overall integrity of the fields and expose previously hidden structures. Our system supports both mouse and direct-touch interactions to manipulate the viewing perspectives and visualize the streamlines in depth. By using a lens metaphor of different shapes to select the transition zone of the targeted area interactively, the users can move their focus and examine the vector or tensor field freely.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Collaborative Exploration of Scientific Datasets Using Immersive and Statistical Visualization: Preprint

We discuss the value of collaborative, immersive visualization for the exploration of scientific datasets and review techniques and tools that have been developed and deployed at the National Renewable Energy Laboratory (NREL). We believe that collaborative visualizations linking statistical interfaces and graphics on laptops and high-performance computing (HPC) with 3D visualizations on immersive displays (head-mounted displays and large-scale immersive environments) enable scientific workflows that further rapid exploration of large, high-dimensional datasets by teams of analysts. We present a framework, PlottyVR, that blends statistical tools, general-purpose programming environments, and simulation with 3D visualizations. To contextualize this framework, we propose a categorization and loose taxonomy of collaborative visualization and analysis techniques. Finally, we describe how scientists and engineers have adopted this framework to investigate large, complex datasets.

collaborative visualization↗
DOE OSTI2021

Collaborative Exploration of Scientific Datasets Using Immersive and Statistical Visualization

We discuss the value of collaborative, immersive visualization for the exploration of scientific datasets and review techniques and tools that have been developed and deployed at the National Renewable Energy Laboratory (NREL). We believe that collaborative visualizations linking statistical interfaces and graphics on laptops and high-performance computing (HPC) with 3D visualizations on immersive displays (head-mounted displays and large-scale immersive environments) enable scientific workflows that further rapid exploration of large, high-dimensional datasets by teams of analysts. We present a framework, PlottyVR, that blends statistical tools, general-purpose programming environments, and simulation with 3D visualizations. To contextualize this framework, we propose a categorization and loose taxonomy of collaborative visualization and analysis techniques. Finally, we describe how scientists and engineers have adopted this framework to investigate large, complex datasets.

collaborative visualization↗
DOE OSTI2025

Visualizing and analyzing 3D biomolecular structures using Mol* at RCSB.org: Influenza A H5N1 virus proteome case study

The easiest and often most useful way to work with experimentally determined or computationally predicted structures of biomolecules is by viewing their three-dimensional (3D) shapes using a molecular visualization tool. Mol* was collaboratively developed by RCSB Protein Data Bank (RCSB PDB, RCSB.org) and Protein Data Bank in Europe (PDBe, PDBe.org) as an open-source, web-based, 3D visualization software suite for examination and analyses of biostructures. It is capable of displaying atomic coordinates and related experimental data of biomolecular structures together with a variety of annotations, facilitating basic and applied research, training, education, and information dissemination. Across RCSB.org, the RCSB PDB research-focused web portal, Mol* has been implemented to support single-mouse-click atomic-level visualization of biomolecules (e.g., proteins, nucleic acids, carbohydrates) with bound cofactors, small-molecule ligands, ions, water molecules, or other macromolecules. RCSB.org Mol* can seamlessly display 3D structures from various sources, allowing structure interrogation, superimposition, and comparison. Using influenza A H5N1 virus as a topical case study of an important pathogen, we exemplify how Mol* has been embedded within various RCSB.org tools—allowing users to view polymer sequence and structure-based annotations integrated from trusted bioinformatics data resources, assess patterns and trends in groups of structures, and view structures of any size and compositional complexity. In addition to being linked to every experimentally determined biostructure and Computed Structure Model made available at RCSB.org, Standalone Mol* is freely available for visualizing any atomic-level or multi-scale biostructure at rcsb.org/3d-view.

3D biostructure↗
DOE OSTI2022

Simultaneous neutron and X-ray tomography for visualization of graphite electrode degradation in fast-charged lithium-ion batteries

Advanced battery characterization using neutron and X-ray-based imaging modalities is crucial to reveal fundamental degradation modes of lithium-ion batteries (LIBs). Taking advantage of the sensitivity of neutrons to some low-Z (Li) and X-rays to high-Z materials (Cu), here we demonstrate the viability of simultaneous neutron and X-ray tomography (NeXT) as a non-destructive imaging platform for ex-situ 3D visualization of graphite electrode degradation following extreme fast charging (XFC). In addition, we underscore the benefits of the simultaneous of NeXT by combining the neutron and X-ray tomography data from the same sample location for material identification and segmentation of one pristine and two XFC-cycled graphite electrodes (9C charge for 450 cycles). Our ex-situ results and methodology development pave the way for the design of NeXT-friendly LIB geometries that will allow operando and/or in-situ 3D visualization of electrode degradation during XFC.

25 ENERGY STORAGE↗
DOE OSTI2016

SU-G-IeP4-10: Microimaging for Different Degrees of Human Cavernous Hemangioma of Liver by Using In-Line Phase-Contrast Imaging CT

Purpose: Cavernous hemangioma of the liver (CHL) is the most common benign solid tumor of the liver. In this study, we quantitative assessment the different degrees of CHL from microscopic viewpoint by using in-line phase-contrast imaging CT (ILPCI-CT). Methods: The experiments were performed at x-ray imaging and biomedical application beamline (BL13W1) of Shanghai Synchrotron Radiation Facility (SSRF) in China. Three typical specimens at different stages, i.e., mild, moderate and severe human CHL were imaged using ILPCI-CT at 16keV without contrast agents. The 3D visualization of different degrees of CHL samples were presented using ILPCI-CT. Additionally, quantitative evaluation of the CHL features, such as the range of hepatic sinusoid equivalent diameters in different degrees of CHL samples, the ratio of the hepatic sinusoid to the CHL tissue, were measured. Results: The planar image clearly displayed the dilated hepatic sinusoids in microns. There was no normal hepatic vascular found in the all CHL samples. Different stages of CHL samples were presented with vivid shapes and stereoscopic effects by using 3D visualization. The equivalent diameters of hepatic sinusoids in three degrees CHL were different. The equivalent diameters of the hepatic sinusoids in mild CHL, range from 60 to 120 µm. The equivalent diameters of the hepatic sinusoids in moderate CHL, range from 65 to 190 µm. The equivalent diameters of the hepatic sinusoids in severe CHL, range from 95 to 215 µm. The ratio of the hepatic sinusoid to the mild, moderate and severe CHL tissue were 3%, 16% and 21%, respectively. Conclusion: The results show that the high degree of sensitivity of the ILPCI-CT technique and demonstrate the feasibility of accurate visualization of different stage human CHL. ILPCI-CT may offers a potential use in non-invasive study and analysis of CHL.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

3D pore analysis of gasoline particulate filters using X-ray tomography: impact of coating and ash loading

Since particulate emissions control technologies are dependent on filtration technologies, development of porous materials with optimized pore structures is crucial to improve filtration efficiency and pressure drop across filters. Despite increasing attention to 3D measurements of porous materials, there are few reports of pore structure investigations of diesel/gasoline particulate filters (D/GPFs) using 3D visualization techniques. Here, GPF 3D pore structures were examined using X-ray tomography (XRT) to identify the impacts of catalyst coating or ash loading. Voxel resolution of 2.93 mu m made it impossible to distinguish coating or ash materials from the cordierite substrate or to recognize smaller pores than the voxel resolution. However, pores up to 200 mu m, which are responsible for the most pore volume, were successfully analyzed. Coating and ash loading resulted in lowering average pore diameter, total porosity, and open porosity, as the peak density of pore diameter at 60 mu m decreased, while pores below 20 mu m increased. Also, the visualized closed pores, which were homogeneously distributed throughout the bare filter, tended to get larger from inlet to outlet sides and more likely to be on the surface inlet due to coating and ash loading, indicating gas pathways originally existing in open pores were blocked due to coating and ash loading, leading to increased pressure drop. The ash impact was found to be more noticeable on mid and back positions than on front position. In addition, the investigation of areal porosity along the direction of gas flow suggested that while ash penetration could reach the outlet side as noted from increased closed pore population, most ash particles would be contained up to 150 mu m. Lastly, the 2D crosscut microscopic analysis that requires destructive procedures with the limited examination area could provide underestimation of ash penetration, whereas the 3D XRT analysis seems to provide more accurate information of pore structure changes due to ash loading at different locations.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Visualizing nanoscale 3D compositional fluctuation of lithium in advanced lithium-ion battery cathodes

The distribution and concentration of lithium in Li-ion battery cathodes at different stages of cycling is a pivotal factor in determining battery performance. Non-uniform distribution of the transition metal cations has been shown to affect cathode performance; however, the Li is notoriously challenging to characterize with typical high-spatial-resolution imaging techniques. Here, for the first time, laser–assisted atom probe tomography is applied to two advanced Li-ion battery oxide cathode materials—layered Li 1.2 Ni 0.2 Mn 0.6 O 2 and spinel LiNi 0.5 Mn 1.5 O 4 —to unambiguously map the three dimensional (3D) distribution of Li at sub-nanometer spatial resolution and correlate it with the distribution of the transition metal cations (M) and the oxygen. The as-fabricated layered Li 1.2 Ni 0.2 Mn 0.6 O 2 is shown to have Li-rich Li 2 MO 3 phase regions and Li-depleted Li(Ni 0.5 Mn 0.5 )O 2 regions while in the cycled layered Li 1.2 Ni 0.2 Mn 0.6 O 2 an overall loss of Li and presence of Ni rich regions, Mn rich regions and Li rich regions are shown in addition to providing the first direct evidence for Li loss on cycling of layered LNMO cathodes. The spinel LiNi 0.5 Mn 1.5 O 4 cathode is shown to have a uniform distribution of all cations. These results were additionally validated by correlating with energy dispersive spectroscopy mapping of these nanoparticles in a scanning transmission electron microscope. Thus, we have opened the door for probing the nanoscale compositional fluctuations in crucial Li-ion battery cathode materials at an unprecedented spatial resolution of sub-nanometer scale in 3D which can provide critical information for understanding capacity decay mechanisms in these advanced cathode materials.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Toward 3D data visualization using virtual reality tools

Virtual Reality (VR) offers the opportunity to display data, instrumentation, and experimental setups in three dimensions and gives the user the ability to interact with the objects. This technology moves visualization beyond two-dimensional projections on a flat screen with a fixed field of view in which a keyboard or another similar controller is needed to change the view. Advances in both hardware and software for VR make it possible for the non-expert to develop visualization tools for scientific applications both for viewing and for sharing data or diagnostic hardware between users in three dimensions. Furthermore, this manuscript describes application development using two VR software tools, Unity gaming engine and A-frame, for visualizing data and high energy physics targets.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

HERMES: A cyber-energy SAAS platform to provide real-time 2d and 3d interactive visualizations [SWR-23-15]

HERMES is a novel visualization SAAS platform for achieving real-time visualization of large-scale environments involving cyber-energy devices. The platform receives data from emulated environments which include physical hardware and network devices that represent a complex IT / OT system. The platform is capable of streaming, filtering, storing, and visualizing all data within the environment and scaling vertically and horizontally. This capability enables high fidelity visual analysis of events to be performed in real time as well as the collection and storage of historical data for forensic analysis.

Van Natta, Joshua↗
DOE OSTI2020

Electron tomography imaging methods with diffraction contrast for materials research

Transmission electron microscopy (TEM) and scanning transmission electron microscopy (STEM) enable the visualization of three-dimensional (3D) microstructures ranging from atomic to micrometer scales using 3D reconstruction techniques based on computed tomography algorithms. This 3D microscopy method is called electron tomography (ET) and has been utilized in the fields of materials science and engineering for more than two decades. Although atomic resolution is one of the current topics in ET research, the development and deployment of intermediate-resolution (non-atomic-resolution) ET imaging methods have garnered considerable attention from researchers. This research trend is probably not irrelevant due to the fact that the spatial resolution and functionality of 3D imaging methods of scanning electron microscopy (SEM) and X-ray microscopy have come to overlap with those of ET. In other words, there may be multiple ways to carry out 3D visualization using different microscopy methods for nanometer-scale objects in materials. From the above standpoint, this review paper aims to (i) describe the current status and issues of intermediate-resolution ET with regard to enhancing the effectiveness of TEM/STEM imaging and (ii) discuss promising applications of state-of-the-art intermediate-resolution ET for materials research with a particular focus on diffraction contrast ET for crystalline microstructures (superlattice domains and dislocations) including a demonstration of in situ dislocation tomography.

36 MATERIALS SCIENCE↗