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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 361 records · Page 20
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 OSTI2013

High-performance dynamic quantum clustering on graphics processors

Clustering methods in machine learning may benefit from borrowing metaphors from physics. Dynamic quantum clustering associates a Gaussian wave packet with the multidimensional data points and regards them as eigenfunctions of the Schroedinger equation. The clustering structure emerges by letting the system evolve and the visual nature of the algorithm has been shown to be useful in a range of applications. Furthermore, the method only uses matrix operations, which readily lend themselves to parallelization. In this paper, we develop an implementation on graphics hardware and investigate how this approach can accelerate the computations. We achieve a speedup of up to two magnitudes over a multicore CPU implementation, which proves that quantum-like methods and acceleration by graphics processing units have a great relevance to machine learning.

97 MATHEMATICS AND COMPUTING↗
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 OSTI2012

Designing Scalable PGAS Communication Subsystems on Cray Gemini Interconnect

The Cray Gemini Interconnect has been recently introduced as a next generation network architecture for building multi-petaflop supercomputers. Cray XE6 systems including LANL Cielo, NERSC Hopper, ORNL Titan and proposed NCSA BlueWaters leverage the Gemini Interconnect as their primary Interconnection network. At the same time, programming models such as the Message Passing Interface (MPI) and Partitioned Global Address Space (PGAS) models such as Unified Parallel C (UPC) and Co-Array Fortran (CAF) have become available on these systems. Global Arrays is a popular PGAS model used in a variety of application domains including hydrodynamics, chemistry and visualization. Global Arrays uses Aggregate Re- mote Memory Copy Interface (ARMCI) as the communication runtime system for Remote Memory Access communication. This paper presents a design, implementation and performance evaluation of scalable and high performance communication subsystems on Cray Gemini Interconnect using ARMCI. The design space is explored and time-space complexities of commu- nication protocols for one-sided communication primitives such as contiguous and uniformly non-contiguous datatypes, atomic memory operations (AMOs) and memory synchronization is presented. An implementation of the proposed design (referred as ARMCI-Gemini) demonstrates the efficacy on communication primitives, application kernels such as LU decomposition and full applications such as Smooth Particle Hydrodynamics (SPH) application.

ARMCI↗
DOE OSTI2011

Target Diagnostics Supports NIF's Path to Ignition

The physics requirements derived from the National Ignition Facility (NIF) experimental campaigns are leading to a wide variety of target diagnostics. Software development for the control and analysis of these diagnostics is included in the NIF Integrated Computer Control System, Diagnostic Control System and Data Visualization. These projects implement the configuration, controls, data analysis and visual representation of most of these diagnostics. To date, over 40 target diagnostics have been developed to support NIF experiments. In 2011 diagnostics were developed or enhanced to measure Ignition performance in a high neutron yield environment. Performance is optimized around four key variables: Adiabat (a) which is the strength and timing of four shocks delivered to the target, Velocity (V) of the imploding target, Mix (M) is the uniformity of the burn, and the Shape (S) of the imploding Deuterium Tritium (DT) hot spot. The diagnostics used to measure each of these parameters is shown in figure 1. Adiabat is measured using the Velocity Interferometer System for Any Reflector (VISAR) diagnostic consisting of three streak cameras. To provide for more accurate adiabat measurements the VISAR streak cameras were enhanced in FY11 with a ten comb fiducial signal controller to allow for post shot correction of the streak camera sweep non-linearity. Mix is measured by the Neutron Time of Flight (NTOF) and Radiochemical Analysis of Gaseous Samples (RAGS) diagnostics. To accommodate high neutron yield shots, NTOF diagnostic controls are being modified to use Mach Zehnder interferometer signals to allow the digitizers to be moved from near the target chamber to the neutron shielded diagnostic mezzanine. In December 2011 the first phase of RAGS diagnostic commissioning will be completed. This diagnostic will analyze the tracers that are added to NIF target capsules that undergo nuclear reactions during the shot. These gases are collected and purified for nuclear counting by the RAGS system. Three new instrument controllers were developed and commissioned to support this diagnostic. A residual-gas analyzer (RGA) instrument measures the gas content at various points in the system. The Digital Gamma Spectrometer instrument measures the radiological spectrum of the decaying gas isotopes. A final instrument controller was developed to interface to a PLC based Gas collection system. In order to support the implosion velocity measurements an additional Gated X-ray Detector (GXD) diagnostic was tested and commissioned. This third GXD views the target through a slit contained in its snout and allows the other GXD diagnostics to be used for measuring the shape on the same shot. In order to measure the implosion shape in a high neutron environment, Actide Readout In A Neutron Environment (ARIANE) and Neutron Imaging (NI) diagnostics were commissioned. The controls for ARIANE, a fixed port gated x-ray imager, contain a neutron shielded camera and micro channel plate pulser with its neutron sensitive electronics located in the diagnostic mezzanine. The NI diagnostic is composed of two Spectral Instruments SI-1000 cameras located 20M from the target and provides neutron images of the DT hot spot for high yield shots. The development and commissioning of these new or enhanced diagnostics in FY11 have provided meaningful insight that facilitates the optimization of the four key Ignition variables. In FY12 they will be adding three new diagnostics and enhancing four existing diagnostics in support of the continuing optimization series of campaigns.

42 ENGINEERING↗
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 OSTI2011

Mobile C-arm cone-beam CT for guidance of spine surgery: Image quality, radiation dose, and integration with interventional guidance

Purpose: A flat-panel detector based mobile isocentric C-arm for cone-beam CT (CBCT) has been developed to allow intraoperative 3D imaging with sub-millimeter spatial resolution and soft-tissue visibility. Image quality and radiation dose were evaluated in spinal surgery, commonly relying on lower-performance image intensifier based mobile C-arms. Scan protocols were developed for task-specific imaging at minimum dose, in-room exposure was evaluated, and integration of the imaging system with a surgical guidance system was demonstrated in preclinical studies of minimally invasive spine surgery. Methods: Radiation dose was assessed as a function of kilovolt (peak) (80-120 kVp) and milliampere second using thoracic and lumbar spine dosimetry phantoms. In-room radiation exposure was measured throughout the operating room for various CBCT scan protocols. Image quality was assessed using tissue-equivalent inserts in chest and abdomen phantoms to evaluate bone and soft-tissue contrast-to-noise ratio as a function of dose, and task-specific protocols (i.e., visualization of bone or soft-tissues) were defined. Results were applied in preclinical studies using a cadaveric torso simulating minimally invasive, transpedicular surgery. Results: Task-specific CBCT protocols identified include: thoracic bone visualization (100 kVp; 60 mAs; 1.8 mGy); lumbar bone visualization (100 kVp; 130 mAs; 3.2 mGy); thoracic soft-tissue visualization (100 kVp; 230 mAs; 4.3 mGy); and lumbar soft-tissue visualization (120 kVp; 460 mAs; 10.6 mGy) - each at (0.3 x 0.3 x 0.9 mm{sup 3}) voxel size. Alternative lower-dose, lower-resolution soft-tissue visualization protocols were identified (100 kVp; 230 mAs; 5.1 mGy) for the lumbar region at (0.3 x 0.3 x 1.5 mm{sup 3}) voxel size. Half-scan orbit of the C-arm (x-ray tube traversing under the table) was dosimetrically advantageous (prepatient attenuation) with a nonuniform dose distribution ({approx}2 x higher at the entrance side than at isocenter, and {approx}3-4 lower at the exit side). The in-room dose (microsievert) per unit scan dose (milligray) ranged from {approx}21 {mu}Sv/mGy on average at tableside to {approx}0.1 {mu}Sv/mGy at 2.0 m distance to isocenter. All protocols involve surgical staff stepping behind a shield wall for each CBCT scan, therefore imparting {approx}zero dose to staff. Protocol implementation in preclinical cadaveric studies demonstrate integration of the C-arm with a navigation system for spine surgery guidance-specifically, minimally invasive vertebroplasty in which the system provided accurate guidance and visualization of needle placement and bone cement distribution. Cumulative dose including multiple intraoperative scans was {approx}11.5 mGy for CBCT-guided thoracic vertebroplasty and {approx}23.2 mGy for lumbar vertebroplasty, with dose to staff at tableside reduced to {approx}1 min of fluoroscopy time ({approx}40-60 {mu}Sv), compared to 5-11 min for the conventional approach. Conclusions: Intraoperative CBCT using a high-performance mobile C-arm prototype demonstrates image quality suitable to guidance of spine surgery, with task-specific protocols providing an important basis for minimizing radiation dose, while maintaining image quality sufficient for surgical guidance. Images demonstrate a significant advance in spatial resolution and soft-tissue visibility, and CBCT guidance offers the potential to reduce fluoroscopy reliance, reducing cumulative dose to patient and staff. Integration with a surgical guidance system demonstrates precise tracking and visualization in up-to-date images (alleviating reliance on preoperative images only), including detection of errors or suboptimal surgical outcomes in the operating room.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
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↗