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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

State of the Art of Molecular Visualization in Immersive Virtual Environments

Abstract Visualization plays a crucial role in molecular and structural biology. It has been successfully applied to a variety of tasks, including structural analysis and interactive drug design. While some of the challenges in this area can be overcome with more advanced visualization and interaction techniques, others are challenging primarily due to the limitations of the hardware devices used to interact with the visualized content. Consequently, visualization researchers are increasingly trying to take advantage of new technologies to facilitate the work of domain scientists. Some typical problems associated with classic 2D interfaces, such as regular desktop computers, are a lack of natural spatial understanding and interaction, and a limited field of view. These problems could be solved by immersive virtual environments and corresponding hardware, such as virtual reality head‐mounted displays. Thus, researchers are investigating the potential of immersive virtual environments in the field of molecular visualization. There is already a body of work ranging from educational approaches to protein visualization to applications for collaborative drug design. This review focuses on molecular visualization in immersive virtual environments as a whole, aiming to cover this area comprehensively. We divide the existing papers into different groups based on their application areas, and types of tasks performed. Furthermore, we also include a list of available software tools. We conclude the report with a discussion of potential future research on molecular visualization in immersive environments.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Data Integration and Visualization for Enhanced Resilience and Sustainability in Hydropower (DIVERS-H)

U.S. hydropower plants face potential threats from shrinking water supply, rising demands, and warmer stream temperatures from various causes. Power plant owners, operators, and regulators require new tools to take advantage of and interpret the diverse range of scientific data being produced by both observational methods (for example, satellite, radar, stream gauges) and computer modeling methods that evaluate and predict how earth's dynamic systems (atmosphere, oceans, land surface, and sea ice) are changing and interacting. Combining datasets such as these with AI-based analyses introduces a novel decision support system to help users anticipate and address potential impacts on power generation stations. This new technology has been named DIVERS-H for "Data Integration and Visualization for Enhanced Resilience and Sustainability in Hydropower." In Phase I, technical feasibility was established with the development and demonstration of all the new technologies that are required. Most notably, DIVERS-H will use new artificial intelligence (AI) methods to capture the complex dynamics of water availability, demand, and environmental changes. In addition, new data management software was developed, and a prototype user interface was implemented as the precursor to a full scale decision support system. With technical research complete, the project focus now shifts to development of a commercial software product to provide users with actionable insight into water availability and the risk/resilience of critical systems at their locations of interest. Although DIVER-H was originally conceived as a tool for hydroelectric power applications, the same underlying technology can be readily applied to other water-consuming systems including coal, natural gas, oil, and nuclear power plants.

Chaudhary, Aashish [Kitware, Inc., Clifton Park, N↗
DOE OSTI2025

Concept Lens: Visual Comparison and Evaluation of Generative Model Manipulations

Generative models are becoming a transformative technology for the creation and editing of images. However, it remains challenging to harness these models for precise image manipulation. These challenges often manifest as inconsistency in the editing process, where both the type and amount of semantic change, depend on the image being manipulated. Moreover, there exist many methods for computing image manipulations, whose development is hindered by the matter of inconsistency. This paper aims to address these challenges by improving how we evaluate, compare, and explore the space of manipulations offered by a generative model. We present Concept Lens, a visual interface that is designed to aid users in understanding semantic concepts carried in image manipulations, and how these manipulations vary over generated images. Given the large space of possible images produced by a generative model, Concept Lens is designed to support the exploration of both generated images, and their manipulations, at multiple levels of detail. To this end, the layout of Concept Lens is informed by two hierarchies: a hierarchical organization of (1) original images, grouped by their similarities, and (2) image manipulations, where manipulations that induce similar changes are grouped together. This layout allows one to discover the types of images that consistently respond to a group of manipulations, and vice versa, manipulations that consistently respond to a group of codes. We show the benefits of this design across multiple use cases, specifically, studying the quality of manipulations for a single method, and offering a means of comparing different methods.

clustering↗
DOE OSTI2024

Simulation of Helium Flow Visualization Apparatus for Studies of Blanket Cooling in Fusion Reactors

Flow visualization is essential to understanding helium cooling performance. This article investigates helium flow visualization in an apparatus to support the design of the blanket first wall for a fusion reactor. Helium’s safety advantages make it an attractive coolant, but effective cooling and flow visualization remain challenging. Sophisticated simulations are conducted in different test sections to address three key areas in the design of a test apparatus and cooling channel enhancements: the influence of viewing glass windows on flow patterns, the impact of increased heating, and the effectiveness of cooling structures like baffles. Viewing glass windows introduce flow recirculation region bifurcation and flow asymmetry, affecting flow patterns and necessitating careful analysis in future experiments. Increased heating results in helium flow detachment from the heated surface, leading to hot spots. Cooling structures, particularly baffles, prove effective in maintaining consistent attachment to the heated surface, improving the heat transfer performance. Further, this study also examines a tunable parameter in the turbulence model, highlighting the importance of accurate model tuning for future fusion reactor cooling designs. With an imminent helium flow visualization facility, these simulations will be used to optimize cooling structures on the heated wall to improve flow attachment and heat transfer efficiency. This work serves as a first investigation of the helium flow visualization apparatus for blanket cooling enhancement in fusion reactor design.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Visualization of Noisy and Less Noisy Computational Basis States in Quantum Computing

Quantum computing technology holds substantial promise as a reliable computational paradigm. However, current noisy intermediate scale quantum (NISQ) systems, are significantly impacted by noise originating from hardware inconsistencies. This noise causes errors and lowers output fidelity. So we must find which basis states cause errors. However, there are two main challenges in analyzing noise corresponding to basis states. First, the noise distribution data is high dimensional in nature, thereby making its analysis challenging. Second, although functional box plots have been used in the state of the art research to understand such a high dimensional data, they suffer from clutter and occlusion issues because of overplotting. In this study, we introduce an innovative visualization pipeline to address the aforementioned challenges to provide a clear depiction of noisy and less-noisy basis states. Specifically, our proposed visualization pipeline comprises three stages namely, low dimensional embedding, clustering, and violin plot visualization, to reduce visual clutter and effectively analyze high-dimensional noise distribution data. Our analysis uses quantum machine learning (QML) circuits as case study for drawing a distinction between noisy and less noisy basis states.

Senapati, Priyabrata [Kent State University]↗
DOE OSTI2022

Circular Economy Modeling Efforts at NREL: Circular Economy Lifecycle Analysis and Visualization (CELAVI) and the Circular Economy Agent-Based Model (ABM)

Circular Economy (CE) aims at decoupling human activities from economic growth and resource use. While CE economic and environmental benefits are often touted by its proponents, increased circularity and improved sustainability do not necessarily go hand-in-hand. The Circular Economy Lifecycle Assessment and Visualization (CELAVI) framework simulates the transition of renewable energy technology supply chains towards circularity and quantifies spatially explicit environmental impacts and supply chain costs. Using wind blade end-of-life (EOL) management as a case study, this presentation will highlight CELAVI's features. Furthermore, envisioned extension to the framework could improve the stakeholder decision model by accounting for logistical and other factors. The CELAVI framework could be leveraged to answer crucial questions regarding renewables EOL management.

circular economy↗
DOE OSTI2025

Novel artificial neural network model for instantaneous power losses and operational efficiency mapping of MW-scale vanadium redox flow battery for improved technoeconomic analysis

A novel data-driven, machine-learning-based method for modeling the instantaneous power losses of a distribution-sited 2 MW/8MWh vanadium redox flow battery (VRFB), a grid-scale electrochemical storage technology, is introduced and compared against benchmark empirical modeling approaches, including symmetric and asymmetric models, as well as a recent convex hull modeling approach. The novel loss modeling method introduces several advantages over the benchmark models and over simplistic efficiency estimates, the most significant of which is that the model can accurately reflect the stepwise and non-linear parasitic losses associated with the duty cycles of mechanical auxiliary systems like pump motor drives and blower fans. Residuals of the models are compared; the proposed data driven model features significantly improved accuracy over the benchmark models. The model's coefficient of determination is also improved relative to that of the benchmark models. Furthermore, a novel method for visualization of operational efficiency of the grid-scale storage technology is introduced. To demonstrate the benefits of the novel data-driven method for modeling the VRFB, the benchmark models and the proposed models are embedded into an Open DSS distribution network model to study two applications of the grid-scale electrical storage system: load leveling for grid support and energy arbitrage. This article demonstrates that the accuracy of the instantaneous power loss model significantly impacts the understanding of the state of charge of the VRFB. In turn, the accuracy of the efficiency modeling of the VRFB impacts the understanding of the potential economic value and technical benefits to the distribution network operators. In conclusion, the presented power loss modeling approach is, therefore, highly relevant for utility-stakeholders, battery asset owners, system engineers, system designers, and financial planners interested in evaluating or optimizing the operation of grid-scale VRFBs.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Situational Awareness of Grid Anomalies (SAGA) for Visual Analytics—Near-Real-Time Cyber-Physical Resiliency Through Machine Learning

The Situational Awareness of Grid Anomalies (SAGA) project built upon foundational power system tools developed at the National Renewable Energy Laboratory (NREL) integrated with an ever-increasing set of Gridmetrics data extracted from the cable television (CATV) broadband network infrastructure while assimilating other time-series geospatial data and information, such as weather and cyber-physical phenomena, to demonstrate a disruptive technology for power system data analytics relying on existing infrastructure. Three research thrusts supported (1) visual analytics, (2) cyber-physical power system simulation, and (3) anomaly detection. SAGA created technology that leverages, couples, and fortifies two vastly different realms - power and broadband - to increase the resiliency of the power grid in the face of increasing cyberattacks and operational challenges related to integrating DERs. The exploration of potential synergies of broadband-enabled grids resulted in identifying a mutually beneficial symbiosis that can increase the resiliency of both power and broadband services. Broadband networks perform better with reliable power and are good at providing real-time measurements that identify where the grid is under attack, is failing, or is weak. Likewise, sensor-starved distribution grids perform better and can be more reliable when their operation is buttressed with observations of broadband-detected anomalies. Future research can explore broadband's contribution to continuing to improve grid resiliency, reliability, and cost-effective operation.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Introducing NOODLES: Collaborative Visualization in a Flavorful Package

We introduce NOODLES, a lightweight collaborative visualization and analysis protocol. NOODLES was developed to enable new scientific workflows while enhancing existing pipelines. Using a technology-minimal approach to strengthen applicability, this protocol allows researchers to tie disparate software together as well as making domain specific visualizations accessible across various platforms and form factors. In this talk we discuss background, challenges, and gaps in the current tool landscape that lead to the development of the protocol. We then describe the design of the protocol and present several use cases to demonstrate the efficacy of NOODLES in addressing complex visualization challenges and how it co-exists with existing tools. We conclude by outlining in-progress work and potential avenues for future development within the NOODLES framework.

collaborative analysis↗
DOE OSTI2020

Hydrodynamic conditions in laser irradiated buried layer experiments

The calculation of open shell ionization level and radiative properties of materials in Non-Local Thermal Equilibrium (NLTE) is currently still a major challenge for any atomic model. The predictions of various NLTE atomic codes at these conditions still differ significantly. In recent years, a new buried layer platform was developed at the Lawrence Livermore National Laboratory and the Laboratory for Laser Energetics. This platform is used to measure ionization distribution and emission of open L-shell, mid-Z ions and open M-shell, high-Z ions at NLTE conditions that are relevant in many laser plasma applications. These experiments offer a unique chance for benchmarking the atomic models. In order to perform these experiments, a uniform well characterized plasma source is required. In this work, we present one-dimensional (1D) and two-dimensional simulations of the experimental platform. These simulations were used for both the design and the analysis of the experiments. The simulations demonstrate the different phases of hydrodynamic evolution of the target and identify the time windows in which uniform conditions can be achieved. A 1D expansion of the target was found to be adequate to describe the target's evolution for most of the experiment duration. The fast 1D simulations were compared with recent experimental results from the Omega laser facility. The sensitivity of the results to several modeling parameters such as the electron flux limiter and laser resonant absorption is reported.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

A Scoping Review of Mixed Initiative Visual Analytics in the Automation Renaissance

Artificial agents are increasingly integrated into data analysis workflows, carrying out tasks that were primarily done by humans. Our research explores how the introduction of automation recalibrates the dynamic between humans and automating technology. To explore this question, we conducted a scoping review encompassing twenty years of mixed-initiative visual analytic systems. To describe and contrast the relationship between humans and automation, we developed an integrated taxonomy to delineate the objectives of these mixed-initiative visual analytics tools, how much automation they support, and the assumed roles of humans. Here, we describe our qualitative approach of integrating existing theoretical frameworks with new codes we developed. Our analysis shows that the visualization research literature lacks consensus on the definition of mixed-initiative systems and explores a limited potential of the collaborative interaction landscape between people and automation. Our research provides a scaffold to advance the discussion of human-AI collaboration during visual data analysis. Our integrated taxonomy is available in the form of a web application on https://smonadjemi.github.io/miva.

Monadjemi, Shayan [ORNL] (ORCID:0000000293855969)↗
DOE OSTI2025

WRPS Hanford Update [Slides]

The purpose of this report is to coordinate with the staff from WRPS, the current contract holder for operations at the Hanford site to better inform design decisions for the Autonomous systems for Hanford waste tank handling project. The project goals are to support risk reduction associated with monitoring, inspection and mapping of Hanford tank underground pits and includes: 1. A pit mock-up demonstration of Idaho National Laboratory’s (INL) Autonomous Pit Exploration System (APES) technology, which has two configurations: A. The Autonomous Robotic Arm, which is a proposed collaboration with Florida International University (FIU) and has capabilities to visually inspect, monitor, map and conduct simple tool manipulation tasks in the tank pits, and B. The robotic crawler configuration, which has capabilities to deploy to the bottom of the pits and conduct closer and bottom-up visual inspections. 2. An Implementation Plan that identifies Hanford site-wide application of the INL remote robotics technologies to enhance the performance of the tank farm systems and the characterization of the waste they contain to mitigate risk and optimize the overall waste mission. 3. A first-of-a-kind environmental digital twin will be produced. Digital twins to date require permanently installed sensors in order to produce asset specific predictions. This project will use the intermittent signals during inspections from deployed sensors on robotic systems to produce the data sets used by AI/ML to enable predictions of issues on tanks.

42 - ENGINEERING↗
DOE OSTI2025

MoRE-Brain: Routed Mixture of Experts for Interpretable and Generalizable Cross-Subject fMRI Visual Decoding

Decoding visual experiences from fMRI offers a powerful avenue to understand human perception and develop advanced brain-computer interfaces. However, current progress often prioritizes maximizing reconstruction fidelity while overlooking interpretability, an essential aspect for deriving neuroscientific insight. To address this gap, we propose MoRE-Brain, a neuro-inspired framework designed for high-fidelity, adaptable, and interpretable visual reconstruction. MoRE-Brain uniquely employs a hierarchical Mixture-of-Experts architecture where distinct experts process fMRI signals from functionally related voxel groups, mimicking specialized brain networks. The experts are first trained to encode fMRI into the frozen CLIP space. A finetuned diffusion model then synthesizes images, guided by expert outputs through a novel dual-stage routing mechanism that dynamically weighs expert contributions across the diffusion process. MoRE-Brain offers three main advancements: First, it introduces a novel Mixture-of-Experts architecture grounded in brain network principles for neuro-decoding. Second, it achieves efficient cross-subject generalization by sharing core expert networks while adapting only subject-specific routers. Third, it provides enhanced mechanistic insight, as the explicit routing reveals precisely how different modeled brain regions shape the semantic and spatial attributes of the reconstructed image. Extensive experiments validate MoRE-Brain’s high reconstruction fidelity, with bottleneck analyses further demonstrating its effective utilization of fMRI signals, distinguishing genuine neural decoding from over-reliance on generative priors. Consequently, MoRE-Brain marks a substantial advance towards more generalizable and interpretable fMRI-based visual decoding.

Wei, Yuxiang [Georgia Institute of Technology]↗
DOE OSTI2022

In situ visualization of multicomponents coevolution in a battery pouch cell

Lithium-ion battery (LIB) is a broadly adopted technology for energy storage. With increasing demands to improve the rate capability, cyclability, energy density, safety, and cost efficiency, it is crucial to establish an in-depth understanding of the detailed structural evolution and cell-degradation mechanisms during battery operation. Here, we present a laboratory-based high-resolution and high-throughput X-ray micro–computed laminography approach, which is capable of in situ visualizing of an industry-relevant lithium-ion (Li-ion) pouch cell with superior detection fidelity, resolution, and reliability. This technique enables imaging of the pouch cell at a spatial resolution of 0.5 μm in a laboratory system and permits the identification of submicron features within cathode and anode electrodes. We also demonstrate direct visualization of the lithium plating in the imaged pouch cell, which is an important phenomenon relevant to battery fast charging and low-temperature cycling. Our development presents an avenue toward a thorough understanding of the correlation among multiscale structures, chemomechanical degradation, and electrochemical behavior of industry-scale battery pouch cells.

25 ENERGY STORAGE↗
DOE OSTI2024

Effective Communication of Energy Science and Technology

Although research, development, and deployment of advanced energy technologies are essential for the clean energy transition, communication about these technologies is equally important to their success. Energy is part of everyday life; therefore, changes in energy systems should be accepted by communities and industries. Yet details about energy generation, transmission, and environmental impacts are complex. The combination of commonality and complexity requires communications to use visualization, localization, narrative, and understandable terminology to reach a range of stakeholders. Collaboration between technology experts and communications professionals builds integrity and accessibility of energy information that enables community-based solutions for energy.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

MDDC Multi-Length Scale Data Architecture Contribution Report – PNNL, INL, ANL, LANL and ORNL

This report offers a comprehensive view of data streams currently generated at Pacific Northwest National Laboratory, Idaho National Laboratory, Argonne National Laboratory, Los Alamos National Laboratory, and Oak Ridge National Laboratory set to integrate into the evolving Multi-Dimensional Data Correlation framework at Oak Ridge National Laboratory. Developed by the Advanced Materials and Manufacturing Technologies program, the Multi-Dimensional Data Correlation framework serves as a cutting-edge software to manage data relevant to advanced manufacturing and material behavior in advanced reactors. The report defines data streams, highlights their generation methods and visualization methods both for experimental and computational aspects relevant to the Advanced Materials and Manufacturing Technologies project. A logical next step for this work is to integrate the MDDC framework into PNNL’s, INL’s, ANL’s, LANL’s and ORNL’s fabrication, experimentation, and modelling workflows. This would require setting up the MDDC framework at PNNL, INL, ANL, and LANL and integrating it into the data collection and storage for these different activities.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Pore-scale visualization of natural hydrate-bearing sediments

Accurate modeling of gas hydrate reservoir productivity and geomechanical risks associated with subsurface dissociation of natural gas hydrates (NGH) requires the determination of model parameters through physical testing on natural hydrate-bearing sediments (HBS). This involves investigating the hydro-mechanical behavior of undisturbed hydrate samples from nature under in situ conditions using pressure core characterization and analysis, which provides a unique opportunity for research. By employing state-of-the-art micro computed tomography imagery on cryogenically preserved, hydrate-bearing sediment samples, we can determine hydrate saturation as well as permeability with and without the presence of hydrates in the sediment. Furthermore, utilizing a machine learning based image segmentation technique, it is possible to extract pore space and grain information. Subsections of the entire image volume were used to determine anisotropic permeabilities using a finite-difference method Stokes solver (FDMSS). Additionally, permeability measurements on whole pressure and temperature preserved hydrate-bearing core were analyzed by utilizing the National Energy Technology Laboratory’s (NETL) Pressure Core Characterization and X-ray CT Visualization Tool (PCXT) to manipulate, cut, and analyze pressure preserved sediment. Permeabilities were measured under a broad range of vertical stress states to simulate expected pressure changes during production scenarios, and the results show that permeabilities derived from images are in agreement with those from traditional core derived experiments. The collected stress-dependent permeability, permeability anisotropy, and corresponding gas hydrate saturations provide valuable input into numerical simulations of reservoir productivity. These properties have been proven to be key parameters determining a long-term reservoir response under depressurization.

Liu, Mengwei [Oak Ridge Institute for Science and ↗
DOE OSTI2021

Visualization and analysis of coupling between plasmas self-organization and plasma-induced fluid circulation in 1 atm DC glows with liquid anode

The physical processes prevailing when plasma contacts liquid water are poorly understood; however, it is this very interaction that is the basis of new, exciting technologies for water purification, the treatment of cancer and disease and the production of new, high value chemical products. A chief impediment to widespread application of plasmas for the aforementioned applications is scale up and cost. Here we investigate plasma induced flows which facilitate transport of reactivity from the plasma to liquid water at rates much faster than diffusion. We find that this plasma induced motion varies depending on whether or not the plasma is self organized. The insight from this work paves the way to a better understanding of transport and ultimately informing plasma treatment technologies on how to best optimize the rate at which processes such as plasma based water purification occurs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗