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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

UEMtomaton: A Source-Available Platform to Aid in Start-up of Ultrafast Electron Microscopy Labs

The steady rise in the number of ultrafast electron microscopy (UEM) labs, in addition to the opacity and lack of detailed descriptions of current approaches that would enable point-by-point construction, has created an opportunity for sharing common methods and instrumentation for (for example) automating data acquisition to assist in efficient lab start-up and to learn about common and robust protocols. In the spirit of open sharing of methods, we provide here a description of an entry-level method and user interface (UI) for automating UEM experiments, and we provide access to the source code and scripts (source-available) for ease of implementation or as a starting reference point for those entering or seeking to enter the field (https://github.com/CEMSFlannigan/UEMtomaton/releases/tag/v1.0). Core instrumentation and physical connections in the UEM lab at Minnesota are described. Interface communication schemes consisting of duo server-client pairs between critical components – the optical delay stage and the UEM digital camera – are presented, with emphasis placed on describing the logic and communications sequence designed to conduct automated series acquisitions. An application designed and programmed with C++/CLI as Windows Forms in Microsoft Visual Studio – dubbed UEMtomaton – is also presented. Key to the UI layout is centralization of the automation tasks and establishment of communication within the software rather than by interfacing with each individual workstation. It is our hope that this note provides useful insight for current and future UEM researchers, particularly with respect to generalizability and portability of the approach to emerging labs. Here, we note that while this basic, entry-level approach is certainly not the most sophisticated or comprehensive of those currently in use, we feel there is nevertheless value in clearly communicating a proven straightforward method to hopefully lower the barrier to entry into the field.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

PRESSURE-FILM OPEN SOURCE SCANNING AND MAPPING

SF-22-099 Pressure-film Open Source Scanning and Mapping (POSSM) is software that analyses images of pressure-film (scans or photographs). POSSM collects data from that analysis in order to produce a number of visual aides, including pressure maps, histograms, and 3d surface plots. POSSM is designed to be able to analyze an entire folder full of images, exporting numeric data as .csv files and visual graphics as .png files.

Grider, Patrick↗
DOE OSTI2020

Unsaturated and Saturated Hydraulic Parameters of Soils at the East River Watershed, Colorado Calculated using the Pedotransfer Function Method.

The purpose of the data package is to present the results of calculations of the following unsaturated-saturated hydraulic parameters of soils of the East River Watershed, Colorado: fully saturated water content (Qs), residual saturation (Qr), van genuchten parameters alpha and n, field capacity (FC), and saturated hydraulic conductivity (Ks). Calculations were conducted for the following soil texture types: sandy_loam, loam, silty_clay_loam, clay_loam, silt loam; the particle size distribution included the percentage of sand, silt, clay, and the bulk density (BD) of soils. Calculations were conducted for the following areas- Lower_Subalpine (6 samples),- Lower_Montane_lower_hillslope (7 samples),- Floodplain_at_base_of_lower_montane_hillslope, (11 samples),- PLM-0 (10 samples),- PLM-1 (10 samples), and - PLM-3 (13 samples)Calculations were conducted using the Pedotransfer Function Method developed by Tóth et al. (2014) with the application of the code ”euptf” in Rstudio. The data are being summarized in the Excel file ”Unsaturated_Saturated_Hydraulic_Parameters_PTF_calculated_EASt_EIver.xls" including two worksheets:“full_data_EAST_RIVER” which includes (a) the input data used for calculations, the soil texture triangle, and the plots of the water retention curves and unsaturated hydraulic conductivity for several types of soil texture, and (b) the summary table with the averaged parameters for each area. The the texture triangle was plotted using the Rstudio "soiltexture." Microsoft Excel software is required to open the Excel file. The metadata and a list of references to the Rstudio libraries used for calculations and data visualization are giving in the Word Readme file.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Model Data Archive Associated with Manuscript "Fire-altered Carbon Pools Create Disturbance Memory in Stream Dissolved Organic Carbon"

This data package supports the publication “Fire-altered Carbon Pools Create Disturbance Memory in Stream Dissolved Organic Carbon” by Li et al. (2026). The package contains processed model inputs, configuration files, restart files, simulation outputs, scripts, and visualization products used to evaluate post-fire dissolved organic carbon (DOC) dynamics in the Naches River Watershed, Washington, USA, following the 2021 Schneider Springs Fire. The modeling workflow couples ELM-BGC, the biogeochemistry-enabled Energy Exascale Earth System Model Land Model; ATS, the Advanced Terrestrial Simulator for integrated surface-subsurface hydrology; and PFLOTRAN, a reactive transport model for multicomponent aqueous geochemistry. Together, these models simulate how wildfire-induced changes in vegetation, litter, coarse woody debris, and soil organic matter influence DOC production, transport, and reaction from burned hillslopes to stream networks. The archive includes preprocessed meteorological, geospatial, hydrologic, and biogeochemical forcing data; ELM-BGC-derived DOC source terms; ATS mesh files; PFLOTRAN reactive-transport inputs; model configuration files; spin-up and transient restart files; watershed-scale diagnostic outputs; stream concentration time series; and figures or visualization files used to inspect and reproduce key results. File types include Hierarchical Data Format 5 (HDF5) files for gridded forcing and model-coupling data, model input and configuration files for ELM-BGC, ATS, and PFLOTRAN, restart and simulation-output files generated by the modeling workflow, tabular or time-series diagnostic outputs, scripts for post-processing and figure generation, and image or visualization products associated with the manuscript. Use of the package depends on the intended task. Re-running the simulations requires the relevant modeling software, including ELM-BGC, ATS, and PFLOTRAN as ATS's geochemical engine. Inspecting outputs and reproducing figures requires Python with scientific plotting libraries such as Matplotlib, and three-dimensional model outputs may be viewed with ParaView. Geographic information system files or maps may be inspected with ArcGIS Pro or comparable GIS software. The data package is intended to enable traceability, reuse, and partial reproduction of the coupled land-to-watershed hydro-biogeochemical modeling workflow used to test how wildfire disturbance affects terrestrial carbon pools and downstream DOC dynamics.

ATS↗
DOE OSTI2020

Rapid Response Data Science for COVID-19

This report describes the results of a seven day effort to assist subject matter experts address a problem related to COVID-19. In the course of this effort, we analyzed the 29K documents provided as part of the White House's call to action. This involved applying a variety of natural language processing techniques and compression-based analytics in combination with visualization techniques and assessment with subject matter experts to pursue answers to a specific question. In this paper, we will describe the algorithms, the software, the study performed, and availability of the software developed during the effort.

60 APPLIED LIFE SCIENCES↗
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 OSTI2015

Combined Impact of Heterogeneous Lifetime and Gettering on Solar Cell Performance

We couple numerical process and device simulations to provide a framework for understanding the combined effects of as-grown wafer impurity distribution, processing parameters, and solar cell architecture. For this study, we added the Impurity-to-Efficiency simulator to Synopsys’ Sentaurus Process software using the Alagator Scripting Language. Our results quantify how advanced processing can eliminate differences in efficiency due to different as-grown impurity concentrations and due to different area fractions of defective wafer regions. We identify combinations of as-grown impurity distributions and process parameters that produce solar cells limited by point defects and those that are limited by precipitated impurities. Gettering targeted at either point defect or precipitate reduction can then be designed and applied to increase cell efficiency. We also visualize the post-processing iron and total recombination distributions in 2D maps of the wafer cross-section. PV researchers and companies can input their initial iron distributions and processing parameters into our software and couple the resulting process simulation results with a solar cell device design of interest to conduct their own analyses. The Alagator scripts we developed are freely available online at http://pv.mit.edu/impurity-to-efficiency-i2e-simulator-for-sentaurus-tcad/.

14 SOLAR ENERGY↗
DOE OSTI2016

Using GIS for Processing, Analysis and Visualization of Hydrological Model Data - 16202

The Applied Research Center at Florida International University (ARC-FIU) is supporting the soil and groundwater remediation efforts of the U.S. Department of Energy's (DOE's) Savannah River Site (SRS) by developing a surface water model to simulate the hydrology and the fate and transport of contaminants and sediment in the Tims Branch watershed. Advances in ArcGIS software through the development of spatial GIS database (geo-database) technology, coupled with the development of data models such as ArcHydro which possesses a spatial relational database management system (RDMS) schema and relationship structure specific to hydrologic systems, provides modelers with tools and applications to assist in the processing, analysis and visualization of flow and contaminant transport data. In addition, the coupling of this type of geo-database structure with a numerical modeling package such as MIKE SHE/MIKE 11 can serve as an efficient tool that significantly reduces the time needed for data preparation. The MIKE modeling system has a geographic information systems (GIS) user interface built into its system that can directly use GIS data for model inputs. GIS-based hydrologic models can provide a spatial element that other hydrologic models lack. GIS is important for processing and analysis of large spatio-temporal datasets derived from multiple sources that are being used for setting up of models, model calibration and simulation of flow and contaminant fate and transport. GIS-based approaches in hydrological modeling can also provide the benefit of combining different layers of geographic data to create new integrated information which can be quite useful for creating dependent or independent hydrological variables. ARC-FIU has developed an ArcGIS geo-database to support the hydrological modeling work being conducted at SRS. The SRS geo-database was developed based on the ArcHydro and ArcGIS Base Map data models with modifications made for project specific input parameters. The significance of this approach was to ensure its replicability for potential application at other DOE sites. The SRS geo-database assists in the storage and management of GIS and time series data being used for hydrological model development at Savannah River Site. Other GIS tools such as ArcGIS Model Builder coupled with Python scripting have enabled the automation of many of the repetitive geo-processing tasks required for pre- and post-processing of the hydrological modeling data. Automation of many of the data processing tasks has facilitated faster and hence more complex analyses of field test data. The toolbox created is also a scalable and reusable application that can be implemented in other watersheds. This paper describes the use of ArcGIS tools for the pre-processing, spatial delineation and analysis of hydrological model data; for automation of repetitive geo-processing tasks; and for visualization of different hydrological components of the Tims Branch watershed. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Machine Intelligence-Centered System for Automated Characterization of Functional Materials and Interfaces

Classic design of experiment relies on a time-intensive workflow that requires planning, data interpretation, and hypothesis building by experienced researchers. Here, in this paper, we describe an integrated, machine-intelligent experimental system which enables simultaneous dynamic tests of electrical, optical, gravimetric, and viscoelastic properties of materials under a programmable dynamic environment. Specially designed software controls the experiment and performs on-the-fly extensive data analysis and dynamic modeling, real-time iterative feedback for dynamic control of experimental conditions, and rapid visualization of experimental results. The system operates with minimal human intervention and enables time-efficient characterization of complex dynamic multifunctional environmental responses of materials with simultaneous data processing and analytics. The system provides a viable platform for artificial intelligence (AI)-centered material characterization, which, when coupled with an AI-controlled synthesis system, could lead to accelerated discovery of multifunctional materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

IOPro: a parallel I/O profiling and visualization framework for high-performance storage systems

Efficient execution of large-scale scientific applications requires high-performance computing systems designed to meet the I/O requirements. To achieve high-performance, such data-intensive parallel applications use a multi-layer layer I/O software stack, which consists of high-level I/O libraries such as PnetCDF and HDF5, the MPI library, and parallel file systems. To design efficient parallel scientific applications, understanding the complicated flow of I/O operations and the involved interactions among the libraries is quintessential. Such comprehension helps identify I/O bottlenecks and thus exploits the potential performance in different layers of the storage hierarchy. To profile the performance of individual components in the I/O stack and to understand complex interactions among them, we have implemented a GUI-based integrated profiling and analysis framework, IOPro. IOPro automatically generates an instrumented I/O stack, runs applications on it, and visualizes detailed statistics based on the user-specified metrics of interest. We present experimental results from two different real-life applications and show how our framework can be used in practice. By generating an end-to-end trace of the whole I/O stack and pinpointing I/O interference, IOPro aids in understanding I/O behavior and improving the I/O performance significantly.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Vortex breakdown in closed containers with polygonal cross sections

The vortex breakdown bubble in the confined flow generated by a rotating lid in closed containers with polygonal cross sections was analysed both experimentally and numerically for the height/radius aspect ratio equal to 2. The stagnation point locations of the breakdown bubble emergence and the corresponding Reynolds number were determined experimentally and in addition computed numerically by STAR-CCM+ CFD software for square, pentagonal, hexagonal, and octagonal cross section configurations. The flow pattern and the velocity were observed and measured by combining the seeding particle visualization and the temporal accuracy of laser Doppler anemometry. The vortex breakdown size and position on the container axis were determined for Reynolds numbers, ranging from 1450 to 2400. The obtained results were compared with the flow structure in the closed container of cubical and cylindrical configurations. It is shown that the measured evolution of steady vortex breakdown is in close agreement with the numerical results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

SU-E-J-209: Verification of 3D Surface Registration Between Stereograms and CT Images

Purpose: Stereography can provide a visualization of the skin surface for radiation therapy patients. The aim of this study was to verify the registration algorithm in a commercial image analysis software, 3dMDVultus, for the fusion of stereograms and CT images. Methods: CT and stereographic scans were acquired of a head phantom and a deformable phantom. CT images were imported in 3dMDVultus and the surface contours were generated by threshold segmentation. Stereograms were reconstructed in 3dMDVultus. The resulting surfaces were registered with Vultus algorithm and then exported to in-house registration software and compared with four algorithms: rigid, affine, non-rigid iterative closest point (ICP) and b-spline algorithm. RMS (root-mean-square residuals of the surface point distances) error between the registered CT and stereogram surfaces was calculated and analyzed. Results: For the head phantom, the maximum RMS error between registered CT surfaces to stereogram was 6.6 mm for Vultus algorithm, whereas the mean RMS error was 0.7 mm. For the deformable phantom, the maximum RMS error was 16.2 mm for Vultus algorithm, whereas the mean RMS error was 4.4 mm. Non-rigid ICP demonstrated the best registration accuracy, as the mean of RMS errors were both within 1 mm. Conclusion: The accuracy of registration algorithm in 3dMDVultus was verified and exceeded RMS of 2 mm for deformable cases. Non-rigid ICP and b-spline algorithms improve the registration accuracy for both phantoms, especially in deformable one. For those patients whose body habitus deforms during radiation therapy, more advanced nonrigid algorithms need to be used.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Evolving the Land Information System into a Cloud Computing Service

The Land Information System (LIS) was developed to use advanced flexible land surface modeling and data assimilation frameworks to integrate extremely large satellite- and ground-based observations with advanced land surface models to produce continuous high-resolution fields of land surface states and fluxes. The resulting fields are extremely useful for drought and flood assessment, agricultural planning, disaster management, weather and climate forecasting, water resources assessment, and the like. We envisioned transforming the LIS modeling system into a scientific cloud computing-aware web and data service that would allow clients to easily setup and configure for use in addressing large water management issues. The focus of this Phase 1 project was to determine the scientific, technical, commercial merit and feasibility of the proposed LIS-cloud innovations that are currently barriers to broad LIS applicability. We (a) quantified the barriers to broad LIS utility and commercialization (high performance computing, big data, user interface, and licensing issues); (b) designed the proposed LIS-cloud web service, model-data interface, database services, and user interfaces; (c) constructed a prototype LIS user interface including abstractions for simulation control, visualization, and data interaction, (d) used the prototype to conduct a market analysis and survey to determine potential market size and competition, (e) identified LIS software licensing and copyright limitations and developed solutions, and (f) developed a business plan for development and marketing of the LIS-cloud innovation. While some significant feasibility issues were found in the LIS licensing, overall a high degree of LIS-cloud technical feasibility was found.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Leveraging 3D CAD and Virtual Reality in Design of the Calcine Disposition Project - 20512

Fluor Idaho's Calcine Disposition Project (CDP) is leveraging the power of three-dimensional (3D) visualization, light detection and ranging (Lidar), and virtual reality to improve designs and worker safety. With the use of computer-aided design (CAD) modeling software, the CDP has created 3D models of the facility and systems to aid in the design, development, and operation of its retrieval and transfer system. This by itself is nothing new and has been done in industry for years. The CDP project however is taking this a few steps farther with the use of Lidar and virtual reality software. The CRP is tasked with removing a radioactive granular material from stainless steel bins located in concrete vaults that were constructed in the late 1950's and early 1960's. While construction drawings are available, it is not certain that the drawings are as-built or how accurate they truly are. Part of the project requires precise placement of equipment on to bins around multiple pipe, electrical lines, and bin stiffeners. Relying solely on the existing drawings and models created from these drawings is highly risky and prone to failure. The first step to determine the precise location and orientation of all obstructions in the vault the project will use a Lidar system to scan the vault structure and precisely locate all vault and bin components. Once this information is obtained, the data will be integrated into the CAD model. The model will then be verified, and a true as-built model developed. Precise component location, size, and orientation will be used for final design and placement of retrieval components. The second step will be to take the verified 3D model and scan data and import it into virtual reality software creating a virtual world. While some work on the project requires all work to be completed remotely due to high radiation fields, some areas have low enough radiation levels that personnel can enter and perform work. With the use of a virtual reality headset, operators and technicians will be able to enter our virtual world and become familiar with the surroundings and perform work prior to ever entering the radiation environment. This training is expected to pay dividends by improving worker efficiency, reducing errors, and improving confidence that the work can be performed as expected. It will play a key aspect in as low as reasonably achievable (ALARA) principles. An additional aspect in using the Lidar scans and virtual environment, is that it will give engineers and managers an opportunity to revisit the facility, especially radiation areas, at any time to obtain design information and measurements that may be costly or impossible to obtain once the facility transitions into radiation operations. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

WinPSSP : a revamp of the computer program PSSP and its performance solving the crystal structures of small organic compounds and solids of biological and pharmaceutical interest

The direct-space methods software Powder Structure Solution Program ( PSSP ) [Pagola & Stephens (2010). J. Appl. Cryst. 43 , 370–376] has been migrated to the Windows OS and the code has been optimized for fast runs. WinPSSP is a user-friendly graphical user interface that allows the input of preliminary crystal structure information, integrated intensities of the reflections and FWHM, the definition of structural parameters and a simulated annealing schedule, and the visualization of the calculated and experimental diffraction data overlaid for each individual solution. The solutions are reported as filename.cif files, which can be used to analyze packing motifs and chemical bonding, and to input the atomic coordinates into the Rietveld analysis software GSAS. WinPSSP performance in straightforward crystal structure determinations has been evaluated using 18 molecular solids with 6–20 degrees of freedom. The free-distribution program as well as multimedia tutorials can be accessed at http://users.uoi.gr/nkourkou/winpssp/.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Using synchrotron X-ray phase-contrast micro-computed tomography to study tissue damage by laser irradiation: STUDY TISSUE DAMAGE BY LASER IRRADIATION

Background and Objective: The aim of this study was to determine if X-ray micro-computed tomography could be used to locate and characterize tissue damage caused by laser irradiation and to describe its advantages over classical histology for this application. Study Design/Materials and Methods: A surgical CO2 laser, operated in single pulse mode (100 milliseconds) at different power settings, was used to ablate different types of cadaveric animal tissues. Tissue samples were then harvested and imaged with synchrotron X-ray phasecontrast and micro-computed tomography to generate stacks of virtual sections of the tissues. Subsequently, Fiji (ImageJ) software was used to locate tissue damage, then to quantify volumes of laser ablation cones and thermal coagulation damage from 3D renderings of tissue image stacks. Visual comparisons of tissue structures in X-ray images with those visible by classic light microscopy histology were made. Results: We demonstrated that micro-computed tomography could be used to rapidly identify areas of surgical laser ablation, vacuolization, carbonization, and thermally coagulated tissue. Quantification and comparison of the ablation crater, which represents the volume of ablated tissue, and the thermal coagulation zone volumeswere performed faster than we could by classical histology. We demonstrated that these procedures can be performed on fresh hydrated and non-sectioned plastic embedded tissue. Conclusion: We demonstrated that the application of non-destructive micro-computed tomography to the visualization and analysis of laser induced tissue damage without tissue sectioning is possible. This will improve evaluation of new surgical lasers and their corresponding effect on tissues.

Ablation↗
DOE OSTI2023

Applications of physics informed neural operators

Abstract We present a critical analysis of physics-informed neural operators (PINOs) to solve partial differential equations (PDEs) that are ubiquitous in the study and modeling of physics phenomena using carefully curated datasets. Further, we provide a benchmarking suite which can be used to evaluate PINOs in solving such problems. We first demonstrate that our methods reproduce the accuracy and performance of other neural operators published elsewhere in the literature to learn the 1D wave equation and the 1D Burgers equation. Thereafter, we apply our PINOs to learn new types of equations, including the 2D Burgers equation in the scalar, inviscid and vector types. Finally, we show that our approach is also applicable to learn the physics of the 2D linear and nonlinear shallow water equations, which involve three coupled PDEs. We release our artificial intelligence surrogates and scientific software to produce initial data and boundary conditions to study a broad range of physically motivated scenarios. We provide the source code , an interactive website to visualize the predictions of our PINOs, and a tutorial for their use at the Data and Learning Hub for Science .

97 MATHEMATICS AND COMPUTING↗