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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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All sources NASA NTRS DOE OSTI

DOE OSTI2015

WE-D-204-03: A Six-Year Longitudinal Evaluation of the DICOM GSDF Conformance Stability of LCD Monitors

Purpose: The calibration of monitors in radiology is critical to ensure a standardized reading environment. If left unchecked, monitors initially calibrated to follow the DICOM Grayscale Standard Display Function (GSDF) can fall out of calibration. This work presents a quantitative evaluation of the stability of a cohort of monitors with similar deployment times and clinical utilization. Methods: Fifty-four liquid crystal display (LCD) monitors (NEC L200ME) were deployed for clinical use in 2009. At that time, a subset of eight of these monitors were used to generate a look-up table (LUT) using the open-source software pacsDisplay. The software was used to load the LUT to the graphics card of the computer in order to make the monitors compliant with the GSDF. The luminance response of the monitors was evaluated twice over six years, once in 2011 and again in 2015. Results: As expected, the maximum luminance of the monitors decreased over time, with an average reduction from 2009 of 35% in 2011, and 53% in 2015. The luminance ratio (maximum luminance divided by the minimum) also decreased, with the all of the decrease occurring in the first two years (average 20%). There was an overall increase in relative error compared with the DICOM GSDF from measurement to measurement, indicating that deviation from the GSDF increases with monitor luminance reduction. Along with changes in luminance, several other issues were identified during the testing, including non-uniformities, bad pixels, and missing calibration software. Conclusion: From the initial installation of these monitors, most of the degradation occurred during the first two years, highlighting the importance of routine clinical testing of displays. Following such quality assurance, displays could be either re-calibrated or replaced depending on different thresholds. In addition, other issues not related to luminance could be identified and corrected.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

TU-AB-BRC-08: Egs-brachy, a Fast and Versatile Monte Carlo Code for Brachytherapy Applications

Purpose: To introduce egs-brachy, a new, fast, and versatile Monte Carlo code for brachytherapy applications. Methods: egs-brachy is an EGSnrc user-code based on the EGSnrc C++ class library (egs++). Complex phantom, applicator, and source model geometries are built using the egs++ geometry module. egs-brachy uses a tracklength estimator to score collision kerma in voxels. Interaction, spectrum, energy fluence, and phase space scoring are also implemented. Phase space sources and particle recycling may be used to improve simulation efficiency. HDR treatments (e.g. stepping source through dwell positions) can be simulated. Standard brachytherapy seeds, as well as electron and miniature x-ray tube sources are fully modelled. Variance reduction techniques for electron source simulations are implemented (Bremsstrahlung cross section enhancement, uniform Bremsstrahlung splitting, and Russian Roulette). TG-43 parameters of seeds are computed and compared to published values. Example simulations of various treatments are carried out on a single 2.5 GHz Intel Xeon E5-2680 v3 processor core. Results: TG-43 parameters calculated with egs-brachy show excellent agreement with published values. Using a phase space source, 2% average statistical uncertainty in the PTV ((2mm){sup 3} voxels) can be achieved in 10 s for 100 {sup 125}I or {sup 103}Pd seeds in a 36.2 cm{sup 3} prostate PTV, 31 s for 64 {sup 103}Pd seeds in a 64 cm{sup 3} breast PTV, and 56 s for a miniature x-ray tube in a 27 cm{sup 3} breast PTV. Comparable uncertainty is reached in 12 s in a (1 mm){sup 3} water voxel 5 mm away from a COMS 16mm eye plaque with 13 {sup 103}Pd seeds. Conclusion: The accuracy of egs-brachy has been demonstrated through benchmarking calculations. Calculation times are sufficiently fast to allow full MC simulations for routine treatment planning for diverse brachytherapy treatments (LDR, HDR, miniature x-ray tube). egs-brachy will be available as free and open-source software to the medical physics research community. This work is partially funded by the Canada Research Chairs program, the Natural Sciences and Engineering Research Council of Canada, and the Ontario Ministry of Research and Innovation (Ontario Early Researcher Award).

60 APPLIED LIFE SCIENCES↗

DOE OSTI2023

Rapid method for computing the mechanical resonances of irregular objects

A solid object's geometry, density, and elastic moduli completely determine its spectrum of normal modes. Solving the inverse problem—determining a material's elastic moduli given a set of resonance frequencies and sample geometry—relies on the ability to compute resonance spectra accurately and efficiently. Established methods for calculating these spectra are either fast but limited to simple geometries, or are applicable to arbitrarily shaped samples at the cost of being prohibitively slow. Here, we describe a method to rapidly compute the normal modes of irregularly shaped objects using entirely open-source software. Our method's accuracy compares favorably with existing methods for simple geometries and shows a significant improvement in speed over existing methods for irregular geometries.

Acoustics↗

DOE OSTI2021

SINGLE: Atomic-resolution structure identification of nanocrystals by graphene liquid cell EM

Analysis of the three-dimensional (3D) structures of nanocrystals with solution-phase transmission electron microscopy is beginning to reveal their unique physiochemical properties. We developed a “one-particle Brownian 3D reconstruction method” based on imaging of ensembles of colloidal nanocrystals using graphene liquid cell electron microscopy. Projection images of differently rotated nanocrystals are acquired using a direct electron detector with high temporal (<2.5 ms) resolution and analyzed to obtain an ensemble of 3D reconstructions. Here, we introduce computational methods required for successful atomic-resolution 3D reconstruction: (i) tracking of the individual particles throughout the time series, (ii) subtraction of the interfering background of the graphene liquid cell, (iii) identification and rejection of low-quality images, and (iv) tailored strategies for 2D/3D alignment and averaging that differ from those used in biological cryo–electron microscopy. Our developments are made available through the open-source software package SINGLE.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Deffe: A Data-efficient Framework for Performance Characterization in Domain-Specific Computing

Predicting workload performance is a crucial task for many architecture and system research. In this paper we present Dee, a framework to estimate the workload performances under varying architectural configurations. The infrastructure component of Deffe is based on scalable and easy-to-use open-source software components. By casting the performance modeling as transfer learning tasks, the modeling component of Deffe can leverage the learned knowledge on one workload, and “transfer” it to a new workload. Extensive experimental results show that the method can achieve superior testing accuracy with an effective reduction of 32-80x in terms of the amount of required training data.

Liu, Frank↗

DOE OSTI2023

Analysis of a Runtime Data Sharing Architecture over LTE for a Heterogeneous CAV Fleet

This paper describes a lightweight runtime architecture for telemetry, communication, and control of cars deployed with advanced driver assistance systems where a human is in the loop with the car, via an LTE connection. The system architecture supports both local control decisions based on car sensors and safety algorithms as well as high-level input from external systems that may provide insight into traffic state ahead of sensor data. Implementation of the architecture is done in ROS and depends on open-source software packages for runtime decoding of information from the vehicle’s controller area network (CAN) and integration of GPS data from accompanying sensors. The contribution of the paper is to describe the overall architecture, the data it can communicate to other systems, performance of the system at runtime, and challenges faced when deploying the architecture across a heterogeneous fleet. Preliminary results from analysis of test data will provide insights into whether the use of high-latency communication can be effective for societal-scale intelligent transportation systems when applied in future scenarios

Richardson, Alex↗

DOE OSTI2026

Trilinos: Enabling Scientific Computing across Diverse Hardware Architectures at Scale

Trilinos is a community-developed, open-source software framework that facilitates building large-scale, complex, multiscale, multiphysics simulation code bases for scientific and engineering problems. Since the Trilinos framework has undergone substantial changes to support new applications and new hardware architectures, this document is an update to “An Overview of the Trilinos project” by Heroux et al. (ACM Transactions on Mathematical Software, 31(3):397–423, 2005). It describes the design of Trilinos, introduces its new organization in product areas, and highlights established and new features available in Trilinos. Particular focus is put on the modernized software stack based on the Kokkos ecosystem to deliver performance portability across heterogeneous hardware architectures. This article also outlines the organization of the Trilinos community and the contribution model to help onboard interested users and contributors.

Heterogeneous Hardware Architectures↗

DOE OSTI2023

Quantitative Scanning Transmission Electron Microscopy for Materials Science: Imaging, Diffraction, Spectroscopy, and Tomography

Scanning transmission electron microscopy (STEM) is one of the most powerful characterization tools in materials science research. Due to instrumentation developments such as highly coherent electron sources, aberration correctors, and direct electron detectors, STEM experiments can examine the structure and properties of materials at length scales of functional devices and materials down to single atoms. STEM encompasses a wide array of flexible operating modes, including imaging, diffraction, spectroscopy, and 3D tomography experiments. This review outlines many common STEM experimental methods with a focus on quantitative data analysis and simulation methods, especially those enabled by open source software. The hope is to introduce both classic and new experimental methods to materials scientists and summarize recent progress in STEM characterization. The review also discusses the strengths and weaknesses of the various STEM methodologies and briefly considers promising future directions for quantitative STEM research.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Quantitative Analysis of Color Differences within High Contrast, Low Power Reversible Electrophoretic Displays

Here, quantitative color analysis is performed on videos of high contrast, low power reversible electrophoretic deposition (EPD)-based displays operated under different applied voltages. This analysis is coded in an open-source software, relies on a color differentiation metric, ΔE * 00 , derived from digital video, and provides an intuitive relationship between the operating conditions of the devices and their performance. Time-dependent ΔE * 00 color analysis reveals color relaxation behavior, recoverability for different voltage sequences, and operating conditions that can lead to optimal performance.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Albany v. 3.0

The Albany code is a general-purpose finite element code for solving partial differential equations (PDEs). Albany is a research code that demonstrates how a PDE code can be built by interfacing many of the open-source software libraries that are released under Sandia's Trilinos project. Part of the mission of Albany is to be a testbed for new Trilinos libraries, to refine their methods, usability, and interfaces. Albany includes hooks to optimization and uncertainty quantification algorithms, including those in Trilinos as well as those in the Dakota toolkit. Because of this, Albany is a desirable starting point for new code development efforts that wish to make heavy use of Trilinos. Albany is both a framework and the host for specific finite element applications. These applications have project names, and can be controlled by configuration option when the code is compiled, but are all developed and released as part of the single Albany code base, These include LCM, QCAD, FELIX, Aeras, and ATO applications.

SciDAC↗

DOE OSTI2016

FASTQ quality control dashboard

FQCDB builds up existing open source software, FastQC, implementing a modern web interface for across parsed output of FastQC. In addition, FQCDB is extensible as a web service to include additional plots of type line, boxplot, or heatmap, across data formatted according to guidelines. The interface is also configurable via more readable JSON format, enabling customization by non-web programmers.

Source record↗

DOE OSTI2020

Bindee

Bindee is a clang tool that outputs a simple pybind11 template given a C++ file for efficient generation of C++-Python bindings. Bindee is intended to be a helper tool for minimizing initial user effort and safeguarding against common runtime errors. Bindee relies on two open-source software to produce bindings. Clang's LibTooling enables bindee to traverse a C++ file's AST to pick out bindable variables and functions, or "bindees." PyBind11 is templated, header-only library for generating C++-Python bindings for variables and functions. Operating purely in C++, bindee does not require learning any new API for accomplishing its task. Additionally, picking the correct pybind11 API for a given bindable element is handled without interaction from the user. Any user input is denoted by '@TEXT@' string substitution. Bindee is capable of generating modular bindings for public class methods, public class variables, enumerations, and free functions and variables. Bindings for templates are also supported. For those familiar with pybind11, bindee does not handle trampolines, C++ extensions through lambdas, or custom type casters.

Kimkno, JasonS.↗

DOE OSTI2021

CORAL Prototype Implementation (CORAL) v0.1

This is prototype code that implements many of the concepts in our invention, "The CORAL Framework for FAIR Data Management and Analysis" (ROI 2019-123, attached). The code includes a back end module that interfaces with third party open source software (ArangoDB), and a front end user interface (UI) that allows user interaction with the software through a web interface.

Chandonia, John-Marc↗

DOE OSTI2020

CORAL Prototype Implementation (CORAL) v0.1

Chandonia, John-Marc↗

DOE OSTI2017

FermiLib v0.1

FermiLib is an open source software package designed to facilitate the development and testing of algorithms for simulations of fermionic systems on quantum computers. Fermionic simulations represent an important application of early quantum devices with a lot of potential high value targets, such as quantum chemistry for the development of new catalysts. This software strives to provide a link between the required domain expertise in specific fermionic applications and quantum computing to enable more users to directly interface with, and develop for, these applications. It is an extensible Python library designed to interface with the high performance quantum simulator, ProjectQ, as well as application specific software such as PSI4 from the domain of quantum chemistry. Such software is key to enabling effective user facilities in quantum computation research.

MCCLEAN, JARROD↗

DOE OSTI2017

Basin Assessment Spatial Planning Platform

The tool is intended to facilitate hydropower development and water resource planning by improving synthesis and interpretation of disparate spatial datasets that are considered in development actions (e.g., hydrological characteristics, environmentally and culturally sensitive areas, existing or proposed water power resources, climate-informed forecasts). The tool enables this capability by providing a unique framework for assimilating, relating, summarizing, and visualizing disparate spatial data through the use of spatial aggregation techniques, relational geodatabase platforms, and an interactive web-based Geographic Information Systems (GIS). Data are aggregated and related based on shared intersections with a common spatial unit; in this case, industry-standard hydrologic drainage areas for the U.S. (National Hydrography Dataset) are used as the spatial unit to associate planning data. This process is performed using all available scalar delineations of drainage areas (i.e., region, sub-region, basin, sub-basin, watershed, sub-watershed, catchment) to create spatially hierarchical relationships among planning data and drainages. These entity-relationships are stored in a relational geodatabase that provides back-end structure to the web GIS and its widgets. The full technology stack was built using all open-source software in modern programming languages. Interactive widgets that function within the viewport are also compatible with all modern browsers.

Source record↗

DOE OSTI2020

XRF-MAPS

x-ray fluorescence (XRF) imaging typically involves the creation and analysis of 3D data sets, where at each scan position a full energy dispersive x-ray spectrum is recorded. This allows one to later process the data in a variety of different approaches, e.g., by spectral region of interest (ROI) summation with or without background subtraction, principal component analysis, or fitting. XRF-Maps is a C++ open source software package that implements these functions to provide a tool set for the analysis of XRF data sets.

GLOWACKI, ARTHURT↗

DOE OSTI2021

MC3

MC3 is a model checking solver that provides a more efficient tool for a widely studied class of problems currently solved by other open-source software tools. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525. SAND2021-4549 O

Rawlings, Blake↗