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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 415 records · Page 23

Python codes for the paper - "Trade-offs in the latent representation of microstructure evolution"

SAND2024-00946O Python codes used in "Trade-offs in the latent representation of microstructure evolution," a manuscript accepted for publication in Acta Materialia, are part of a repository. The code was developed to perform analysis of microstructure evolution. The repository consists of two main directories: models, which train and test models such as autoencoders and diffusion maps, and analysis, which analyzes microstructures. Source code is used to perform dimensionality reduction of microstructure data for analysis of its evolution in time. 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.

Dingreville, Remi↗

Sodium Fire Collaborative Study Progress -- CNWG Fiscal Year 2020

This report discusses the progress on the collaboration between Sandia National Laboratories (Sandia) and Japan Atomic Energy Agency (JAEA) on the sodium fire research in fiscal year 2020. First, the current sodium pool fire model in MELCOR, which is adapted from CONTAIN-LMR code, is discussed. The associated sodium fire input requirements are also presented. These input requirements are flexible enough to permit further model development via control functions to enhance the current model without modifying the source code. The theoretical pool fire model improvement developed at Sandia is discussed. A control function model has been developed from this improvement. Then, the validation study of the sodium pool fire model in MELCOR carried out by both Sandia and JAEA’s staff is described. To validate this pool fire model with the enhancement, a JAEA sodium pool fire experiment (F7-1 test) is used. The results of the calculation are discussed as well as suggestions for further model improvement. Finally, recommendations are made for new MELCOR simulations for next fiscal year, 2021.

36 MATERIALS SCIENCE↗

A proposed classification scheme for Ada-based software products

As the requirements for producing software in the Ada language become a reality for projects such as the Space Station, a great amount of Ada-based program code will begin to emerge. Recognizing the potential for varying levels of quality to result in Ada programs, what is needed is a classification scheme that describes the quality of a software product whose source code exists in Ada form. A 5-level classification scheme is proposed that attempts to decompose this potentially broad spectrum of quality which Ada programs may possess. The number of classes and their corresponding names are not as important as the mere fact that there needs to be some set of criteria from which to evaluate programs existing in Ada. An exact criteria for each class is not presented, nor are any detailed suggestions of how to effectively implement this quality assessment. The idea of Ada-based software classification is introduced and a set of requirements from which to base further research and development is suggested.

Cernosek, Gary J.↗

A users' guide to the trace contaminant control simulation computer program

The Trace Contaminant Control Simulation computer program is a tool for assessing the performance of various trace contaminant control technologies for removing trace chemical contamination from a spacecraft cabin atmosphere. The results obtained from the program can be useful in assessing different technology combinations, system sizing, system location with respect to other life support systems, and the overall life cycle economics of a trace contaminant control system. The user's manual is extracted in its entirety from NASA TM-108409 to provide a stand-alone reference for using any version of the program. The first publication of the manual as part of TM-108409 also included a detailed listing of version 8.0 of the program. As changes to the code were necessary, it became apparent that the user's manual should be separate from the computer code documentation and be general enough to provide guidance in using any version of the program. Provided in the guide are tips for input file preparation, general program execution, and output file manipulation. Information concerning source code listings of the latest version of the computer program may be obtained by contacting the author.

Perry, J. L.↗

Computational studies of impurity migration during induction stirring of molten uranium

Understanding and controlling impurity behavior in actinide metal casting processes are foundational for efficient part production yet remain major challenges for researchers and industry. To help provide insight regarding impurity distribution during actinide metal casting, we have developed computational fluid dynamics (CFD) models for a laboratory-scale system using commercial and open-source code. Multiple simulation frameworks allow for improved confidence in the resulting outputs, while taking advantage of the maturity and convenience offered by commercial platforms and simultaneously maintaining the transparency and flexibility often provided by open-source software. Here, we describe multiple experiment-informed models designed to simulate a specific laboratory system in which uranium melt, containing a known starting concentration of carbon impurity, is electromagnetically stirred in an induction furnace. Here, the goal of the simulations is to predict the motion of uranium carbide microparticles in the velocity field of the melt. Prior to simulating the uranium-carbon system, numerical models were validated using a previously published nonradioactive experimental system. Effects of the size and shape of impurity particles in the models were investigated and agree with experimental findings. Simulation of smaller particles (< 50 µm) shows more homogenous distribution throughout the stirred melt. With increased particle size (100 µm), the body forces, which include the buoyancy force, dominate over the drag force, causing larger particles to move toward the crucible walls and upward in the system.

36 MATERIALS SCIENCE↗

useeio-infra-app

This GitHub repository hosts the source code to an RShiny web application that implements the U.S. Environmentally-Extended Input-Output (USEEIO) model in order to conduct a screening-level life cycle analysis. The USEEIO model is an open-source model developed and maintained by the Environmental Protection Agency (EPA), along with colleagues and contractors, and is available on GitHub (https://github.com/USEPA/USEEIO). The USEEIO model incorporates environmental data into pre-existing Economic Input-Output Models, which look at the interdependence of different economic industries. In this web application, the focus is on energy infrastructure applications; however, it can be used to implement USEEIO in any area for which this model is applicable.

AS↗

A survey of compiler optimization techniques

Major optimization techniques of compilers are described and grouped into three categories: machine dependent, architecture dependent, and architecture independent. Machine-dependent optimizations tend to be local and are performed upon short spans of generated code by using particular properties of an instruction set to reduce the time or space required by a program. Architecture-dependent optimizations are global and are performed while generating code. These optimizations consider the structure of a computer, but not its detailed instruction set. Architecture independent optimizations are also global but are based on analysis of the program flow graph and the dependencies among statements of source program. A conceptual review of a universal optimizer that performs architecture-independent optimizations at source-code level is also presented.

Schneck, P. B.↗

AdvEP

AdvEP is a code repository which contains PyTorch implementations of various adversarial attacks on a deep neural network trained with Equilibrium Propagation (EP), which is a neuromorphic learning framework. AdvEP allows for the training, testing, and conducting white/black-box attacks of EP models on a wide variety of applications and datasets. AdvEP is based on the open-source code https://github.com/Laborieux-Axel/Equilibrium-Propagation which was developed to train energy models. AdvEP was created by modifying the original code to perform and test against adversarial attacks. AdvEP was developed in Python, a high-level programming language that takes advantage of the Python ecosystem of high-quality open-source packages for machine learning. AdvEP interfaces heavily with the open-source PyTorch Python package as well as the open-source Adversarial Robustness Toolbox (ART) package.

Mansingh, Siddarth↗

Toward Right-Fidelity Rotorcraft Conceptual Design

The aviation Advanced Design Office (ADO) of the US Army Aeroflightdynamics Directorate (AMRDEC) performs conceptual design of advanced Vertical Takeoff and Landing (VTOL) concepts in support of the Army's development and acquisition of new aviation systems. In particular, ADO engages in system synthesis to assess the impact of new technologies and their application to satisfy emerging warfighter needs and requirements. Fundamental to ADO being successful in accomplishing its role; is the ability to evaluate a wide array of proposed air vehicle concepts, and independently synthesize new concepts to inform Army and DoD decision makers about the tradespace in which decisions will be made (Figure 1). ADO utilizes a conceptual design (CD) process in the execution of its role. Benefiting from colocation with NASA rotorcraft researchers at the Ames Research Center, ADO and NASA have engaged in a survey of the current rotorcraft PD practices and begun the process of improving those capabilities to enable effective design and development of the next generation of VTOL systems. A unique aspect of CD in ADO is the fact that actual designs developed in-house are not intended to move forward in the development process. Rather, they are used as reference points in discussions about requirements development and technology impact. The ultimate products of ADO CD efforts are technology impact assessments and specifications which guide industry design activity. The fact that both the requirement and design are variables in the tradespace adds to the complexity of the CD process. A frequent need is ability to assess the relative "cost" of variations in requirement for a diverse set of VTOL configurations. Each of these configurations may have fundamentally different response characteristics to this requirement variation, and such insight into how different requirements drive different designs is a critical insight ADO attempts to provide decision makers. The processes and tools utilized are driven by the timeline in which questions must be answered. This can range from quick "back-of-the-envelope" assessments of a configuration made in an afternoon, to more detailed tradespace explorations that can take upwards of a year to complete. A variety of spreadsheet based tools and conceptual design codes are currently in use. The in-house developed conceptual sizing code RC (Rotorcraft) has been the preferred tool of choice for CD activity for a number of years. Figure 2 illustrates the long standing coupling between RC and solid modeling tools for layout, as well as a number of ad-hoc interfaces with external analyses. RC contains a sizing routine that is built around the use of momentum theory for rotors, classic finite wing theory, a referred parameter engine model, and semi-emperical weight estimation techniques. These methods lend themselves to rapid solutions, measured in seconds and minutes. The successful use of RC, however requires careful consideration of model input parameters and judicious comparison with existing aircraft to avoid unjustified extrapolation of results. RC is in fact a legacy of a series of codes whose development started in the early 1970s, and is best suited to the study of conventional helicopters and XV-15 style tiltrotors. Other concepts have been analyzed with RC, but typically it became necessary to modify the source code and methods for each unique configuration. Recent activity has lead to the development of a new code, NASA Design and Analysis of Rotorcraft (NDARC). NDARC uses a similar level of analytical fidelity as RC, but is built on a new framework intended to improve modularity and ability to rapidly model a wider array of concepts. Critical to achieving this capability is the decomposition of the aircraft system into a series of fundamental components which can then be assembled to form a wide-array of configurations. The paper will provide an overview of NDARC and its capabilities.

Sinsay, Jeffrey D.↗

An Integrated Design Tool for Tow-Steered Laminates of Composites in Abaqus and MSC.Patran/Nastran

Tow-steered composites can be tailored for optimal mechanical performance of lightweight structures. However, there are no commercial-grade design tools for tow-steered composite structures, which hinders the design innovation of tow-steered composites in realistic structures. The novelty of this paper is to develop an integrated design framework along with the development of graphical user interface (GUI) plug-ins in commercial finite element (FE) software Abaqus and MSC.Patran/Nastran. The GUI plug-ins take all the design setups and communicate with external codes for the material modeling and optimization, and hence provide a unified design environment within the FE codes. The mechanics of structure genome (MSG) plate model computes shell element properties based on user-defined fiber paths and layup, which are defined via the GUI plug-ins. The optimization is performed by an open-source code, Dakota, from Sandia National Laboratories (Sandia), which also coordinates the structural analysis, material modeling, and optimization in design iterations. Two examples are presented to demonstrate the user-friendliness and versatility of the developed GUI plug-ins. The developed tools will ease the design process and facilitate the application of tow-steered composites in realistic aerospace structures.

Xin Liu↗

An Integrated Design Tool for Tow-Steered Laminates of Composites in Abaqus and MSC.Patran/Nastran

Tow-steered composites can be tailored for optimal mechanical performance of lightweight structures. However, there are no commercial-grade design tools for tow-steered composite structures, which hinders the design innovation of tow-steered composites in realistic structures. The novelty of this paper is to develop an integrated design framework along with the development of graphical user interface (GUI) plug-ins in commercial finite element (FE) software Abaqus and MSC.Patran/Nastran. The GUI plug-ins take all the design setups and communicate with external codes for the material modeling and optimization, and hence provide a unified design environment within the FE codes. The mechanics of structure genome (MSG) plate model computes shell element properties based on user-defined fiber paths and layup, which are defined via the GUI plug-ins. The optimization is performed by an open-source code, Dakota, from Sandia National Laboratories (Sandia), which also coordinates the structural analysis, material modeling, and optimization in design iterations. Two examples are presented to demonstrate the user-friendliness and versatility of the developed GUI plug-ins. The developed tools will ease the design process and facilitate the application of tow-steered composites in realistic aerospace structures.

Xin Liu↗

Software reuse environment user's guide

This document describes the services provided by the prototype Software Reuse Environment, which was developed by CTA for NASA Goddard Space Flight Center, Code 520. This is one of three guides delivered by CTA as part of the environment. The other two guides are: Software Generation and Installation Guide; and SEMANTX--Defining the Schema. The Software Generation and Installation Guide describes the software source modules that make up the Reuse Environment, with instructions on how to generate and install an executable system from the source code. SEMANTX--Defining the Schema describes how a reuse database is created. Actually this guide is more general than the reuse database, as it describes how to generate a SEMANTX database. SEMANTX is an off-the-shelf tool that we have used to implement the reuse database. It is a product of Semantyk Systems, Inc. The Software Reuse Environment is built upon SEMANTX as well as on the IDE Structured Analysis Integrated Environment. (IDE is Interactive Development Environments, Inc.) SEMANTX itself is built on top of the Unify Database Management System. To use the Software Reuse Environment you should have the User's Manuals for SEMANTX, for Unify, and for the IDE software. CTA has provided all of these with the environment.

Source record↗

ROS Hexapod

As an intern project for NASA Johnson Space Center (JSC), my job was to familiarize myself and operate a Robotics Operating System (ROS). The project outcome will convert existing software assets into ROS using nodes, enabling a robotic Hexapod to communicate and to be functional and controlled by an existing PlayStation 3 (PS3) controller. Existing control algorithms and current libraries have no ROS capabilities within the Hexapod C++ source code. Conversion of C++ codes to ROS will enable existing code to be compatible with ROS, and will be controlled using existing PS3 controller. Furthermore, my job description is to design ROS messages and script programs which will enable assets to participate in the ROS ecosystem. In addition, an open source software (IDE) Arduino board will be integrated in the ecosystem with designing circuitry on a breadboard to add additional behavior with push buttons, potentiometers and other simple elements in the electrical circuitry. Other projects with the Arduino will be a GPS module digital clock that will run off 22 satellites to show accurate real time using a GPS signal and internal patch antenna to communicate with satellites.

Davis, Kirsch↗

ATLAS: a Snakemake workflow for assembly, annotation, and genomic binning of metagenome sequence data

Background: Metagenomics and metatranscriptomics studies provide valuable insight into the composition and function of microbial populations from diverse environments, however the data processing pipelines that rely on mapping reads to gene catalogs or genome databases for cultured strains yield results that underrepresent the genes and functional potential of uncultured microbes. Recent improvements in sequence assembly methods have eased the reliance on genome databases, thereby allowing the recovery of genomes from uncultured microbes. However, configuring these tools, linking them with advanced binning and annotation tools, and maintaining provenance of the processing continues to be challenging for researchers. Results: Here we present ATLAS, a software package for customizable data processing from raw sequence reads to functional and taxonomic annotations using state-of-the-art tools to assemble, annotate, quantify, and bin metagenome and metatranscriptome data. Genome-centric resolution and abundance estimates are provided for each sample in a dataset. ATLAS is written in Python and the workflow implemented in Snakemake; it operates in a Linux environment, and is compatible with Python 3.5+ and Anaconda 3+ versions. The source code for ATLAS is freely available, distributed under a BSD-3 license. Conclusions: ATLAS provides a user-friendly, modular and customizable Snakemake workflow for metagenome and metatranscriptome data processing; it is easily installable with conda and maintained as open-source on GitHub at https://github.com/metagenome-atlas/atlas.

59 BASIC BIOLOGICAL SCIENCES↗

Code Coverage Status of ARC Code-DIF3D

The Argonne Reactor Code (ARC) software system supports users in their fast reactor design goals by providing neutronic, thermal-hydraulic, and structural analysis capabilities. DIF3D plays a pivotal role in the ARC system as the primary homogenized assembly neutronic calculation methodology for fast reactor problems. Over its 40 years history, ARC software usage with DIF3D has been applied to numerous fast and thermal spectrum reactor analysis projects with good to excellent comparison against experiments. With continued improvement of computation resources, many of the geometry modeling capabilities in DIF3D that were primarily used in low order schemes are not really needed anymore. Today, the diffusion and transport capabilities of DIF3D-VARIANT are primarily used in the reactor design process with some scattered usage of DIF3D-FD and DIF3D-Nodal. In recent work, the DIF3D software verification was completed for DIF3D-FD and DIF3D-VARIANT on the geometry options used in the Versatile Test Reactor project. While we can be confident that these capabilities of DIF3D are well used and thus trusted, it does not demonstrate that all possible input options of DIF3D are actually working, but just those that were tested as part of VTR are and that they are correct. Thus, the purpose of the present work is to identify a set of test problems for DIF3D and assess the code coverage of DIF3D for those test problems. The goal is to document what parts of the existing DIF3D code are touched by the set of test problems and which are not. Because the verification work done on DIF3D-VARIANT and DIF3D-FD was focused on the most common uses of DIF3D for fast reactor analysis, the code coverage assessment of those capabilities is the highest priority. This will ensure that nothing is being missed by the existing verification test problems that DIF3D relies upon. The DIF3D-Nodal capability will also be inspected for code coverage as part of this work to further ensure that regular regression testing of DIF3D will trap any likely errors the end user might experience with the DIF3D software. The code coverage analysis of DIF3D was performed with the Code Coverage Tool of the Intel Fortran compiler which requires modifications to the compilation of DIF3D. The detailed coverage tables are given for each submodule of DIF3D separately, and for the submodules which are primarily developed for DIF3D, most of the source files could be at least partially touched. Most of the uncovered parts/files could be easily ignored, because they are either for error message and debugging output or obviously not needed by DIF3D. Out of the entire source codes of DIF3D, only a few uncovered modules deserve further investigation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Code Coverage Status of the ARC Code DIF3D

The Argonne Reactor Code (ARC) software system supports users in their fast reactor design goals by providing neutronic, thermal-hydraulic, and structural analysis capabilities. DIF3D plays a pivotal role in the ARC system as the primary homogenized assembly neutronic calculation methodology for fast reactor problems. Over its 40 years history, ARC software usage with DIF3D has been applied to numerous fast and thermal spectrum reactor analysis projects with good to excellent comparison against experiments. With continued improvement of computation resources, many of the geometry modeling capabilities in DIF3D that were primarily used in low order schemes are not really needed anymore. Today, the diffusion and transport capabilities of DIF3D-VARIANT are primarily used in the reactor design process with some scattered usage of DIF3D-FD and DIF3D-Nodal. In recent work, the DIF3D software verification was completed for DIF3D-FD and DIF3D-VARIANT on the geometry options used in the Versatile Test Reactor project. While we can be confident that these capabilities of DIF3D are well used and thus trusted, it does not demonstrate that all possible input options of DIF3D are actually working, but just those that were tested as part of VTR are and that they are correct. Thus, the purpose of the present work is to identify a set of test problems for DIF3D and assess the code coverage of DIF3D for those test problems. The goal is to document what parts of the existing DIF3D code are touched by the set of test problems and which are not. Because the verification work done on DIF3D-VARIANT and DIF3D-FD was focused on the most common uses of DIF3D for fast reactor analysis, the code coverage assessment of those capabilities is the highest priority. This will ensure that nothing is being missed by the existing verification test problems that DIF3D relies upon. The DIF3D-Nodal capability will also be inspected for code coverage as part of this work to further ensure that regular regression testing of DIF3D will trap any likely errors the end user might experience with the DIF3D software. The code coverage analysis of DIF3D was performed with the Code Coverage Tool of the Intel Fortran compiler which requires modifications to the compilation of DIF3D. The detailed coverage tables are given for each submodule of DIF3D separately, and for the submodules which are primarily developed for DIF3D, most of the source files could be at least partially touched. Most of the uncovered parts/files could be easily ignored, because they are either for error message and debugging output or obviously not needed by DIF3D. Out of the entire source codes of DIF3D, only a few uncovered modules deserve further investigation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Portable Software Environment for Ultrahigh-Resolution ELM Development on GPUs

This paper presents our endeavors in developing the large-scale, ultra-high-resolution E3SM Land Model (uELM), specifically designed for exascale computers furnished with accelerators such as Nvidia GPUs. The uELM is a sophisticated code that substantially relies on High-Performance Computing (HPC) environments, necessitating particular machine and software configurations. To facilitate community-based uELM developments employing GPUs, we have created a portable, standalone software environment preconfigured with uELM input datasets, simulation cases, and source code. This environment, utilizing Docker, encompasses all essential code, libraries, and system software for uELM development on GPUs. It also features a functional unit test framework and an offline model testbed for comprehensive numerical experiments. From a technical perspective, the paper discusses GPU-ready container generations, uELM code management, and input data distribution across computational platforms. Lastly, the paper demonstrates the use of environment for functional unit testing, end-to-end simulation on CPUs and GPUs, and collaborative code development.

E3SM Land Model↗

Advanced x-ray imaging spectrometer

An x-ray spectrometer that also provides images of an x-ray source. Coded aperture imaging techniques are used to provide high resolution images. Imaging position-sensitive x-ray sensors with good energy resolution are utilized to provide excellent spectroscopic performance. The system produces high resolution spectral images of the x-ray source which can be viewed in any one of a number of specific energy bands.

Callas, John L.↗