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Results for “high performance visualization”

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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Experimental studies on the effects of sheet resistance and wettability of catalyst layer on electro-catalytic activities for oxygen evolution reaction in proton exchange membrane electrolysis cells

As the most important part of electrochemical reaction in proton exchange membrane electrolysis cells (PEMECs) for water splitting, oxygen evolution reaction (OER) occurs at the anode catalyst layer (CL). The distribution of the OER site is affected by many factors, such as properties of CL, operation parameters, procedures, etc. To study the effects of properties of CLs on the distribution of OER site on the CL, and consequently affect the performance of PEMECs, CLs with different sheet resistances are tested under different operation conditions. Furthermore, the phenomena of OER on CLs are captured by a high-speed and micro-scale visualization system in-situ and analysed coupled with electrochemical results. The results in this work show that both sheet resistance and wettability of CLs have significant impact on the distribution of the OER site, which can help optimize the design of membrane electrode assembly and improve the operating parameters for electrochemical devices.

08 HYDROGEN↗
DOE OSTI2018

A complex approach to assessing porous structure of structured ceramics obtained by SPS technique

Highlights: • A complex approach to microstructural analysis of nanostructured SPS ceramics was presented. • A bunch of gas, intrusion and microscopic methods were applied for open/closed porosity determination in nanoceramics. • Kinetic TPR analysis for structural changes in nanoceramic was carried out. • 3D pore visualization for nanoceramics was provided via SEM/FIB tomography • Porosity calculations were performed via BET, BJH, t-plot, Washburn equation, FEI Avizo 9.1 software results. - Abstract: Spark plasma sintering (SPS) is a highly prospective technology providing rapid consolidation of nano-disperse compositions into structured ceramics with complex structural organization. Characterizing pore structure of such systems remains a challenge due to different types, size and shape of the pores as well as structural defects occurring in the material, thus requiring special methods to quantify certain porosity type. The paper presents a complex approach to studying structure of SPS hematite-based structured ceramics. The method involves a number of gas, intrusion and electron microscopy probing techniques to characterize open and closed pores in the ceramics bulk. Low temperature nitrogen sorption has been implemented to estimate open micro- and mesoporosity in the size range 0.7–50 nm using BET, BJH and t-plot methods to process experimental data. Additionally, structural peculiarities of consolidated structured ceramics have been studied using temperature-programmed reduction (TPR) with the kinetic analysis of the results being carried out. Volume of macropores sized above 50 nm has been measured with mercury intrusion. Closed pores and structural defects have been quantified with SEM and FIB/SEM tomography. By comparing experimental and estimated results we have shown that addressing all porosity types provides a highly precise structural characterization of the material.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

MPLBM-UT: Multiphase LBM library for permeable media analysis

MPLBM-UT is a specialized lattice-Boltzmann library that makes running single- and two-phase flow simulations in porous media accessible to everyone. We provide a suite of tools to pre-process computational domains for simulation, to set up custom boundary conditions, to run simulations, to post-process simulation outputs, and to visualize simulation results and data. All of these tools are easily accessible to users through the mplbm_utils Python package included in and automatically installed with MPLBM-UT. The high-performance, highly parallel library Palabos is used as the solver backend. MPLBM-UT is easily deployed in a variety of systems, from laptops to supercomputer clusters. MPLBM-UT also features multiple examples and benchmark templates that allow for fast prototyping of different porous media problems. We also provide an interface for reading in different file types and downloading domains from the Digital Rocks Portal to perform simulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

An Integrated Software Package to Enable Predictive Simulation Capabilities

The power grid is increasing in complexity due to the deployment of smart grid technologies. Such technologies vastly increase the size and complexity of power grid systems for simulation and modeling. This increasing complexity necessitates not only the use of high-performance-computing (HPC) techniques, but a smooth, well-integrated interplay between HPC applications. This paper presents a new integrated software package that integrates HPC applications and a web-based visualization tool based on a middleware framework. This framework can support the data communication between different applications. Case studies with a large power system demonstrate the predictive capability brought by the integrated software package, as well as the better situational awareness provided by the web-based visualization tool in a live mode. Test results validate the effectiveness and usability of the integrated software package.

Chen, Yousu↗
DOE OSTI2023

Real-Time Krylov Theory for Quantum Computing Algorithms

Quantum computers provide new avenues to access ground and excited state properties of systems otherwise difficult to simulate on classical hardware. New approaches using subspaces generated by real-time evolution have shown efficiency in extracting eigenstate information, but the full capabilities of such approaches are still not understood. In recent work, we developed the variational quantum phase estimation (VQPE) method, a compact and efficient real-time algorithm to extract eigenvalues on quantum hardware. Here we build on that work by theoretically and numerically exploring a generalized Krylov scheme where the Krylov subspace is constructed through a parametrized real-time evolution, which applies to the VQPE algorithm as well as others. We establish an error bound that justifies the fast convergence of our spectral approximation. We also derive how the overlap with high energy eigenstates becomes suppressed from real-time subspace diagonalization and we visualize the process that shows the signature phase cancellations at specific eigenenergies. We investigate various algorithm implementations and consider performance when stochasticity is added to the target Hamiltonian in the form of spectral statistics. To demonstrate the practicality of such real-time evolution, we discuss its application to fundamental problems in quantum computation such as electronic structure predictions for strongly correlated systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

ViBRANT Applied as a Closed Loop Flux and Thermal Surrogate

Surrogate testing platforms provide a means to develop a target aspect of a larger system. Some systems target single aspects while others are more wholistic. ViBRANT (Visual Benign Reactor as Analog for Nuclear Testing) aims to be a wholistic system by representing the primary reactor behaviors through an accessible LED driven reactor core, photodiodes, thermocouples, and high-performance software interfaces being developed to the standards required for actual microreactor deployment such as MARVEL. With the ability to drive control drums enabled with full reactor capability (e.g. speed/angle/torque capability/limits for operation and clutch/spring scram capability), drive ViBRANT’s high fidelity 36 pin hexagon core to represent phenomena via LEDs, and capture the analog response of distributed photodiodes/thermocouples, this paper will show the system’s ability to operate in a closed-loop fashion and do well at matching reactor power/temperature distribution in an accessible reactor surrogate environment.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2016

In situ liquid water visualization in polymer electrolyte membrane fuel cells with high resolution synchrotron x-ray radiography

In this work, we investigated the dominating properties of the porous materials that impact water dynamics in a polymer electrolyte membrane fuel cell (PEMFC). Visualizations of liquid water in an operating PEMFC were performed at the Canadian Light Source. A miniature fuel cell was specifically designed for X-ray imaging investigations, and an in-house image processing algorithm based on the Beer-Lambert law was developed to extract quantities of liquid water thicknesses (cm) from raw X-ray radiographs. The X-ray attenuation coefficient of water at 24 keV was measured with a calibration device to ensure accurate measurements of the liquid water thicknesses. From this experiment, the through plane distribution of the liquid water in the fuel cell was obtained.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Enabling the broader adoption of fusion simulation on complex geometry

This project addressed a key barrier to advanced fusion and nuclear simulation: the difficulty of performing high-fidelity Monte Carlo neutronics directly on complex, real-world CAD geometry. Traditional workflows require engineers to rebuild CAD models as simplified constructive solid geometry, a time-consuming and error-prone process that limits design iteration and broader adoption of simulation tools. The goal of this Phase I SBIR was to make CAD-based neutronics practical, accessible, and robust for industrial and research users. During the project, Coreform significantly enhanced the Direct Accelerated Geometry Monte Carlo (DAGMC) workflow and fully integrated it into Coreform Cubit as a first-class capability. Major achievements include optimized material assignment and surface meshing workflows, substantial performance improvements to geometry imprinting and preparation, native export of DAGMC models, and new visualization tools to support OpenMC source definition and lost-particle debugging. Coreform also expanded Cubit’s capabilities as a full OpenMC preprocessor, including the ability to convert OpenMC constructive solid geometry models back into CAD for visualization, multiphysics coupling, and debugging. In collaboration with Argonne National Laboratory, the project delivered comprehensive new DAGMC documentation and training materials, transforming DAGMC from a research-oriented tool into a production-ready workflow. Results were disseminated through tutorials, conference training, and multiple well-attended webinars demonstrating integrated CAD-based neutronics and multiphysics workflows. Overall, this project demonstrated that high-fidelity Monte Carlo simulations can be performed directly on complex CAD geometry, reducing setup time, improving usability, and enabling faster, more informed design decisions for fusion and nuclear energy systems.

42 ENGINEERING↗
DOE OSTI2017

Empirical Analysis of the Subjective Impressions and Objective Measures of Domain Scientists’ Visual Analytic Judgments

Scientists often use specific data analysis and presentation methods familiar within their domain. But does high familiarity drive better analytical judgment? This question is especially relevant when familiar methods themselves can have shortcomings: many visualizations used conventionally for scientific data analysis and presentation do not follow established best practices. This necessitates new methods that might be unfamiliar yet prove to be more effective. But there is little empirical understanding of the relationships between scientists’ subjective impressions about familiar and unfamiliar visualizations and objective measures of their visual analytic judgments. To address this gap and to study these factors, we focus on visualizations used for comparison of climate model performance. We report on a comprehensive survey-based user study with 47 climate scientists and present an analysis of : i) relationships among scientists’ familiarity, their perceived lev- els of comfort, confidence, accuracy, and objective measures of accuracy, and ii) relationships among domain experience, visualization familiarity, and post-study preference.

Dasgupta, Aritra↗
DOE OSTI2019

Augmented Reality for Managing Nuclear Infrastructure and Operations - 19605

Emerging augmented reality tools offer great promise for helping manage nuclear infrastructure throughout its life cycle. These tools have the ability to provide operators with actionable holographic information as they work. Perhaps more excitingly these tools also feature sensors that provide the ability to document work at very high spatial resolution. These sensors include onboard cameras as well as active infrared sensors that can capture 3D geometry information on-the-fly. Coupling the visualization and sensing tools provided by augmented reality headsets with computational intelligence opens up many exciting new possibilities for managing nuclear infrastructure throughout its life cycle. In this presentation we show a number of examples of how augmented reality tools can be incorporated into the management of nuclear infrastructure. We show examples of using augmented reality as a human-machine interface for robotic control, and we show examples of augmented reality being interfaced with external sensors. Finally, we show how these sensing and visualization capabilities of augmented reality can be interfaced with intelligent algorithms to help operators perform their work in nuclear facilities. The goal of the work is to spark discussions on how emerging augmented reality tools can help enable the next generation of efficient, high-performance nuclear infrastructure. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2014

Visualization of Hierarchical Nanodomains in Polymer/Fullerene Bulk Heterojunction Solar Cells

Here, traditional electron microscopy techniques such as bright-field imaging provide poor contrast for organic films and identification of structures in amorphous material can be problematic, particularly in high-performance organic solar cells. By combining energy-filtered corrected transmission electron microscopy, together with electron energy loss and X-ray energy-dispersive hyperspectral imaging, we have imaged PTB7/ PC 61 BM blended polymer optical photovoltaic films, and were able to identify domains ranging in size from several hundred nanometers to several nanometers in extent. This work verifies that microstructural domains exist in bulk heterojunctions in PTB7/PC 61 BM polymeric solar cells at multiple length scales and expands our understanding of optimal device performance providing insight for the design of even higher performance cells.

14 SOLAR ENERGY↗
DOE OSTI2016

Early Experiences Porting the NAMD and VMD Molecular Simulation and Analysis Software to GPU-Accelerated OpenPOWER Platforms, In: ISC High Performance 2016: High Performance Computing

All-atom molecular dynamics simulations of biomolecules provide a powerful tool for exploring the structure and dynamics of large protein complexes within realistic cellular environments. Unfortunately, such simulations are extremely demanding in terms of their computational requirements, and they present many challenges in terms of preparation, simulation methodology, and analysis and visualization of results. We describe our early experiences porting the popular molecular dynamics simulation program NAMD and the simulation preparation, analysis, and visualization tool VMD to GPU-accelerated OpenPOWER hardware platforms. We report our experiences with compiler-provided autovectorization and compare with hand-coded vector intrinsics for the POWER8 CPU. We explore the performance benefits obtained from unique POWER8 architectural features such as 8-way SMT and its value for particular molecular modeling tasks. Finally, we evaluate the performance of several GPU-accelerated molecular modeling kernels and relate them to other hardware platforms.

Computer Science↗
DOE OSTI2021

Stable, high-performance, dendrite-free, seawater-based aqueous batteries

Metal anode instability, including dendrite growth, metal corrosion, and hetero-ions interference, occurring at the electrolyte/electrode interface of aqueous batteries, are among the most critical issues hindering their widespread use in energy storage. Herein, a universal strategy is proposed to overcome the anode instability issues by rationally designing alloyed materials, using Zn-M alloys as model systems (M = Mn and other transition metals). An in-situ optical visualization coupled with finite element analysis is utilized to mimic actual electrochemical environments analogous to the actual aqueous batteries and analyze the complex electrochemical behaviors. The Zn-Mn alloy anodes achieved stability over thousands of cycles even under harsh electrochemical conditions, including testing in seawater-based aqueous electrolytes and using a high current density of 80 mA cm –2 . The proposed design strategy and the in-situ visualization protocol for the observation of dendrite growth set up a new milestone in developing durable electrodes for aqueous batteries and beyond.

25 ENERGY STORAGE↗
DOE OSTI2013

Exploration of High-Dimensional Scalar Function for Nuclear Reactor Safety Analysis and Visualization

The next generation of methodologies for nuclear reactor Probabilistic Risk Assessment (PRA) explicitly accounts for the time element in modeling the probabilistic system evolution and uses numerical simulation tools to account for possible dependencies between failure events. The Monte-Carlo (MC) and the Dynamic Event Tree (DET) approaches belong to this new class of dynamic PRA methodologies. A challenge of dynamic PRA algorithms is the large amount of data they produce which may be difficult to visualize and analyze in order to extract useful information. We present a software tool that is designed to address these goals. We model a large-scale nuclear simulation dataset as a high-dimensional scalar function defined over a discrete sample of the domain. First, we provide structural analysis of such a function at multiple scales and provide insight into the relationship between the input parameters and the output. Second, we enable exploratory analysis for users, where we help the users to differentiate features from noise through multi-scale analysis on an interactive platform, based on domain knowledge and data characterization. Our analysis is performed by exploiting the topological and geometric properties of the domain, building statistical models based on its topological segmentations and providing interactive visual interfaces to facilitate such explorations. We provide a user’s guide to our software tool by highlighting its analysis and visualization capabilities, along with a use case involving dataset from a nuclear reactor safety simulation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

Saline as the Sole Contrast Agent for Successful MRI-guided Epidural Injections

Purpose. To assess the performance of sterile saline solution as the sole contrast agent for percutaneous magnetic resonance imaging (MRI)-guided epidural injections at 1.5 T. Methods. A retrospective analysis of two different techniques of MRI-guided epidural injections was performed with either gadolinium-enhanced saline solution or sterile saline solution for documentation of the epidural location of the needle tip. T1-weighted spoiled gradient echo (FLASH) images or T2-weighted single-shot turbo spin echo (HASTE) images visualized the test injectants. Methods were compared by technical success rate, image quality, table time, and rate of complications. Results. 105 MRI-guided epidural injections (12 of 105 with gadolinium-enhanced saline solution and 93 of 105 with sterile saline solution) were performed successfully and without complications. Visualization of sterile saline solution and gadolinium-enhanced saline solution was sufficient, good, or excellent in all 105 interventions. For either test injectant, quantitative image analysis demonstrated comparable high contrast-to-noise ratios of test injectants to adjacent body substances with reliable statistical significance levels (p < 0.001). The mean table time was 22 {+-} 9 min in the gadolinium-enhanced saline solution group and 22 {+-} 8 min in the saline solution group (p = 0.75). Conclusion. Sterile saline is suitable as the sole contrast agent for successful and safe percutaneous MRI-guided epidural drug delivery at 1.5 T.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2015

Mapping Metals Incorporation of a Whole Single Catalyst Particle Using Element Specific X-ray Nanotomography

Full-field transmission X-ray microscopy has been used to determine the 3D structure of a whole individual fluid catalytic cracking (FCC) particle at high spatial resolution and in a fast, noninvasive manner, maintaining the full integrity of the particle. Using X-ray absorption mosaic imaging to combine multiple fields of view, computed tomography was performed to visualize the macropore structure of the catalyst and its availability for mass transport. We mapped the relative spatial distributions of Ni and Fe using multiple-energy tomography at the respective X-ray absorption K-edges and correlated these distributions with porosity and permeability of an equilibrated catalyst (E-cat) particle. Both metals were found to accumulate in outer layers of the particle, effectively decreasing porosity by clogging of pores and eventually restricting access into the FCC particle.

02 PETROLEUM↗
DOE OSTI2022

Sim-Situ: A Framework for the Faithful Simulation of in situ Processing

The amount of data generated by numerical simulations in various scientific domains led to a fundamental redesign of how the analysis and visualization of simulation outputs are performed. The throughput and capacity of storage subsystems have not evolved as fast as the computing power in extreme-scale supercomputers, making the classical post-hoc approach highly inefficient. In situ processing has then emerged as a solution in which simulation and data analysis/visualization are intertwined for better performance and greater interactivity.Determining the best allocation, i.e., how many resources to allocate to simulation and analysis respectively, mapping, i.e., where and at which frequency to run the analysis/visualization, and data transfer mode is a complex task whose performance assessment is crucial to the efficient execution of in situ processing. However, such a performance evaluation of different strategies usually relies either on directly running them on the targeted execution environments, which can rapidly become extremely time- and resource-consuming, or on resorting to simplified models of the components of an in situ application, which can lack of realism. In both cases, the validity of the performance evaluation is limited.In this paper, we present Sim-Situ, a simulation-based framework for the faithful performance evaluation of in situ processing strategies. We designed Sim-Situ to reflect the typical features of in situ processing systems. Thanks to its modular design, Sim-situ has the necessary flexibility to easily and faithfully evaluate the behavior and performance of various allocation, mapping, and data transfer strategies. We illustrate the simulation capabilities of Sim-Situ on a Molecular Dynamics use case. We study the impact of different strategies on performance and show how users can leverage Sim-Situ to determine interesting tradeoffs when adding analysis/visualization components to their application.

Honoré, Valentin↗