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At least 289 records · Page 16

Modeling Vapor Transport Deposition of Metal-halide Perovskite Thin Films for Photovoltaic and Optoelectronic Devices

Over the past decade, metal halide perovskites (MHPs) have emerged as a promising materials platform for high-efficiency solar cells and low-cost optoelectronics. However, there are challenges that frustrate the large-scale manufacturing of MHP devices, including difficulty in controlling film composition, interface formation and their device instability under ambient conditions. Vapor processing offers an attractive path to manufacturability, while also opening the door to new opportunities in device design that could favorably impact ultrahigh efficiency tandem solar cells or overall stability. Emphasis here is on the use of an alternate processing methodology, vapor transport deposition (VTD), to deposit the MHP layer. In experimental work, we found that our deposition system had significant run-to-run variations in film thickness and composition. To understand and resolve these issues, we use COMSOL Multiphysics software to model the precursor deposition rate numerically, trying to guide the broad range of parameters in the system. The result can be matched with experimental data and provides insight into system hydrodynamics and molar transport effects. Finally, we show that chamber pressure is a key factor to scale up the VTD technique.

Hsu, Wan-Ju↗

Implementation of probabilistic design methodology at Tennessee State University

The fact that Deterministic Design Method no longer satisfies most design needs calls for methods that will cope with the high trend in technology. The advance in computer technology has reduced the rigors that normally accompany many design analysis methods that account for uncertainties in design parameters. Probabilistic Design Methodology (PDM) is beginning to make impact in engineering design. This method is gaining more recognition in industries than in educational institutions. Some of the reasons for the limited use of the PDM at the moment are that many are unaware of its potentials, and most of the software developed for PDM are very recent. The central goal of the PDM project at Tennessee State University is to introduce engineering students to this method. The students participating in the project learn about PDM and the computer codes that are available to the design engineer. The software being used for this project is NESSUS (Numerical Evaluation of Stochastic Structures Under Stress) developed under NASA probabilistic structural analysis program. NESSUS has three different modules which make it a very comprehensive computer code for PDM. Since this method is new to the students, its introduction into the engineering curriculum is to be in stages. These range from the introduction of PDM and its software to the applications. While this program is being developed for its eventual inclusion into the engineering curriculum, some graduate and undergraduate students are already carrying out some projects using this method. As the students are increasing their understanding on PDM, they are at the same time applying it to some common design problems. The areas this method is being applied at the moment include, Design of Gears (spur and worm); Design of Brakes; Design of Heat Exchangers Design of Helical Springs; and Design of Shock Absorbers. Some of the current results of these projects are presented.

Onwubiko, Chinyere↗

Computational fluid dynamics application to hypersonic flow over a Martian entry vehicle (MEV) - A correlation with experiment

A class of vehicles for a mission to Mars are analyzed for aerodynamic characteristics using advanced Computational Fluid Dynamics (CFD). The general configuration is a modified cone-conical-frustum geometry where the nose radius has a large influence on the flowfield. Inviscid-compressible flow using the Euler equations and viscous-compressible flow using the thin-layer Navier-Stokes equations is applied to the configuration. The surface modeling, grid generation and application of state-of-the-art CFD software are described. The effects of nose radius, angle of attack, and hypersonic velocity on the flight characteristics of the vehicle are discussed. The numerical simulations demonstrate the merits of the inviscid and viscous software. Results are compared with wind tunnel experiments.

Stewart, John E.↗

Level 1 Processing of MODIS Direct Broadcast Data From Terra

In February 2000, an effort was begun to adapt the Moderate Resolution Imaging Spectroradiometer (MODIS) Level 1 production software to process direct broadcast data. Three Level 1 algorithms have been adapted and packaged for release: Level 1A converts raw (level 0) data into Hierarchical Data Format (HDF), unpacking packets into scans; Geolocation computes geographic information for the data points in the Level 1A; and the Level 1B computes geolocated, calibrated radiances from the Level 1A and Geolocation products. One useful aspect of adapting the production software is the ability to incorporate enhancements contributed by the MODIS Science Team. We have therefore tried to limit changes to the software. However, in order to process the data immediately on receipt, we have taken advantage of a branch in the geolocation software that reads orbit and altitude information from the packets themselves, rather than external ancillary files used in standard production. We have also verified that the algorithms can be run with smaller time increments (2.5 minutes) than the five-minute increments used in production. To make the code easier to build and run, we have simplified directories and build scripts. Also, dependencies on a commercial numerics library have been replaced by public domain software. A version of the adapted code has been released for Silicon Graphics machines running lrix. Perhaps owing to its origin in production, the software is rather CPU-intensive. Consequently, a port to Linux is underway, followed by a version to run on PC clusters, with an eventual goal of running in near-real-time (i.e., process a ten-minute pass in ten minutes).

Lynnes, Christopher↗

Grain2Mesh: Mesh Generation for Grain-Scale Nonlinear Elasticity Modeling

The nonlinear hysteretic behavior of rocks under cyclic loading is a crucial area of study in geomechanics. The macroscopic response of a variety of materials has been found to be contingent upon the behavior of the micro-scale structure. This project aims to develop a functional and maintainable software package for generating a multi-phase numerical mesh and accompanying simulation files for finite element modeling used in computational mechanics solvers. Meshes generated from images often lack key preprocessing that reduces noise and prevents mesh element distortion that can increase computational cost. By incorporating user feedback throughout, grain2mesh ensures a high-fidelity mesh that can be used to model grain-scale interactions such as shearing, crack propagation, and interfacial material contrast. Scientific applications of this software include material fracturing, stress-strain analysis for natural and engineered materials, and nonlinear meso-scale analysis.

54 ENVIRONMENTAL SCIENCES↗

Studies and experiments in the Software Engineering Lab (SEL)

The Software Engineering Laboratory (SEL) is an organization created nearly 10 years ago for the purpose of identifying, measuring and applying quality software engineering techniques in a production environment. The members of the SEL include NASA/Goddard Space Flight Center (GSFC, the sponsor and organizer), University of Maryland, and Computer Sciences Corporation. Since its inception the SEL has conducted numerous experiments, and has evaluated a wide range of software technologies. This paper describes several of the more recent experiments as well as some of the general conclusions to which the SEL has arrived.

Mcgarry, F. E.↗

A high-speed linear algebra library with automatic parallelism

Parallel or distributed processing is key to getting highest performance workstations. However, designing and implementing efficient parallel algorithms is difficult and error-prone. It is even more difficult to write code that is both portable to and efficient on many different computers. Finally, it is harder still to satisfy the above requirements and include the reliability and ease of use required of commercial software intended for use in a production environment. As a result, the application of parallel processing technology to commercial software has been extremely small even though there are numerous computationally demanding programs that would significantly benefit from application of parallel processing. This paper describes DSSLIB, which is a library of subroutines that perform many of the time-consuming computations in engineering and scientific software. DSSLIB combines the high efficiency and speed of parallel computation with a serial programming model that eliminates many undesirable side-effects of typical parallel code. The result is a simple way to incorporate the power of parallel processing into commercial software without compromising maintainability, reliability, or ease of use. This gives significant advantages over less powerful non-parallel entries in the market.

Boucher, Michael L.↗

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↗

Computational capacity in hydrodynamic real-time hybrid simulation applied to simulate the dynamic response of floating offshore wind turbines

Real-time hybrid simulation (RTHS) mitigates similitude distortions in model-scale tests of floating offshore wind turbines (FOWTs) by coupling physical experiments with numerical models in real time. The coupling requires faster-than-real-time numerical computations to satisfy temporal similitude with the physical experiment, presenting a bottleneck for using more complex numerical models in RTHS. This paper presents a hydrodynamic-RTHS (hydro-RTHS) framework for FOWTs that simulates the hydrodynamics physically and the aerodynamics numerically with sensor feedback from the physical testing. The framework adapts the three-loop hardware architecture to leverage greater computational resources and mitigate strict temporal requirements, enabling more computationally demanding numerical analyses in hydro-RTHS. The three-loop hardware architecture integrates multiple machines, each dedicated to either numerical analysis or RTHS controls, with a rate-transition algorithm to synchronize the tasks executed across the different machine processors. Virtual and physical tests verified and validated the hydro-RTHS framework, respectively. The ”virtual” tests, which approximates the physical domain numerically, verified the RTHS framework with respect to a numerical full-scale complete FOWT model simulated in the open-source software, OpenFAST. The virtual tests were able to maintain comparable control signals while enabling greater computational resources for the numerical calculations. Real-world physical tests demonstrated that the hydro-RTHS framework computes aerodynamic forces similar to the complete OpenFAST model, validating the hydro-RTHS framework using the three-loop hardware architecture. Findings show that the hydro-RTHS framework with the three-loop hardware architecture is computationally efficient, with reserve capacity to simulate more complex problems due to the customized software, hardware, and rate-transition algorithm.

17 WIND ENERGY↗

Component-Based Visualization System

A software system has been developed that gives engineers and operations personnel with no "formal" programming expertise, but who are familiar with the Microsoft Windows operating system, the ability to create visualization displays to monitor the health and performance of aircraft/spacecraft. This software system is currently supporting the X38 V201 spacecraft component/system testing and is intended to give users the ability to create, test, deploy, and certify their subsystem displays in a fraction of the time that it would take to do so using previous software and programming methods. Within the visualization system there are three major components: the developer, the deployer, and the widget set. The developer is a blank canvas with widget menu items that give users the ability to easily create displays. The deployer is an application that allows for the deployment of the displays created using the developer application. The deployer has additional functionality that the developer does not have, such as printing of displays, screen captures to files, windowing of displays, and also serves as the interface into the documentation archive and help system. The third major component is the widget set. The widgets are the visual representation of the items that will make up the display (i.e., meters, dials, buttons, numerical indicators, string indicators, and the like). This software was developed using Visual C++ and uses COTS (commercial off-the-shelf) software where possible.

Delgado, Francisco↗

Visualization of supercomputer simulations in physics

A description is given of the hardware and software tools and techniques in use at NASA's Numerical Aerodynamic Simulation Facility for visualization of computational fluid dynamics. The hardware consists of high-performance graphics workstations connected to the supercomputer with high-bandwidth lines, a frame buffer connected to the supercomputer with UltraNet, a digital video recording system, and film recorders. The software permits the scientist to view the three-dimensional scenes dynamically, to zoom into a region of interest, and to rotate his viewing position to study any region of interest in more detail. The software also provides automated animation and video recording of the scenes. The digital effects unit on the video system facilitates comparison of computer simulations with flight or wind tunnel experiments.

Watson, Val↗

SINDA - Systems Improved Numerical Differencing Analyzer

Capability to model fluid flow added. SINDA is software system developed to solve physical problems governed by diffusion-type equations mathematically modeled by lumped-parameter representations. Used as general thermal analyzer with resistor-and-capacitor-network representations. Adapted to wide range of problems represented by Fourier, Possion, Laplace, or other differential equations. Written in FORTRAN and Assembler.

Damico, Steve J.↗

Best practices in software development for robust and reproducible geoscientific models based on insights from the Global Carbon Budget's dynamic vegetation models

Computational models play an increasingly vital role in scientific research by enabling the numerical simulation of complex processes. Such models are also fundamental in geosciences. For instance, they offer critical insights into the impacts of global change on the Earth system today and in the future. Beyond their value as research tools, models are also software products and should therefore adhere to certain established software engineering standards. However, scientists are rarely trained as software developers, which can lead to potential deficiencies in software quality like unreadable, inefficient, or erroneous code. The complexity of models, coupled with their integration into broader workflows, also often makes it challenging to reproduce results, evaluate processes, and build upon them. In this paper, we review the state and current practices of the development processes of the state-of-the-art land surface models used by the Global Carbon Budget. We combine the experience of modelers from the respective research groups with the expertise of software engineers from tech companies to outline key principles and tools for improving software quality in research. We explore four main areas: (1) model testing and validation, (2) scientific, technical, and user documentation, (3) version control, continuous integration, and code review, and (4) the portability and reproducibility of workflows. Our review reveals that while modeling communities are incorporating many best practices, significant room for improvement remains in areas such as automated testing, automated documentation, and reproducibility. Therefore, we here identify and promote essential software engineering practices, including numerous examples of practices from within the community that can serve as guidelines for other models and could help streamline processes across the entire community. We conclude with an open-source example implementation of these principles, demonstrating portable and reproducible data flows, a continuous integration setup, and web-based visualizations. This example may serve as a practical resource for model developers, users, and all scientists engaged in scientific programming.

Gregor, Konstantin [Technical Univ. of Munich (Ger↗

Numerical arc segmentation algorithm for a radio conference-NASARC (version 2.0) technical manual

The information contained in the NASARC (Version 2.0) Technical Manual (NASA TM-100160) and NASARC (Version 2.0) User's Manual (NASA TM-100161) relates to the state of NASARC software development through October 16, 1987. The Technical Manual describes the Numerical Arc Segmentation Algorithm for a Radio Conference (NASARC) concept and the algorithms used to implement the concept. The User's Manual provides information on computer system considerations, installation instructions, description of input files, and program operating instructions. Significant revisions have been incorporated in the Version 2.0 software. These revisions have enhanced the modeling capabilities of the NASARC procedure while greatly reducing the computer run time and memory requirements. Array dimensions within the software have been structured to fit within the currently available 6-megabyte memory capacity of the International Frequency Registration Board (IFRB) computer facility. A piecewise approach to predetermined arc generation in NASARC (Version 2.0) allows worldwide scenarios to be accommodated within these memory constraints while at the same time effecting an overall reduction in computer run time.

Whyte, Wayne A., Jr.↗

Pronghorn: A Multidimensional Coarse Mesh Application for Advanced Reactor Thermal-Hydraulics

This paper presents an overview of Pronghorn, a multiscale thermal-hydraulic (T/H) application developed by Idaho National Laboratory and the University of California, Berkeley. Pronghorn, built on the open-source finite element Multiphysics Object-Oriented Simulation Environment (MOOSE), leverages state-of-the-art physical models, numerical methods, and nonlinear solvers to deliver fast-running advanced reactor T/H simulation capabilities within a modern software engineering environment. This work summarizes the physical models, multiphysics and multiscale coupling, and numerical discretization in Pronghorn with emphasis on our initial target application to pebble bed reactors (PBRs). A diverse set of applications are shown to depressurized natural circulation in the SANA experiments, forced convection in the Pebble Bed Modular Reactor, three-dimensional (3-D)/one-dimensional coupling of Pronghorn and RELAP-7 systems T/H for loop analysis in the High Temperature Reactor Power Module, and forced convection in the Mark-1 Pebble Bed Fluoride-Salt-Cooled High-Temperature Reactor. A multiphysics coupling of Pronghorn, RELAP-7, and Griffin deterministic neutronics for a gas-cooled PBR demonstrates the capability of the MOOSE framework for reactor design calculations. These applications highlight the verification and validation underlying Pronghorn’s software development while emphasizing features that improve upon capabilities offered by legacy tools in areas such as 3-D unstructured meshing, physics modeling, and multiphysics coupling.

97 MATHEMATICS AND COMPUTING↗

Code Coverage Status of the ARC Code RCT

The Argonne Reactor Code (ARC) software system supports users in their fast reactor design goals by providing neutronic, thermal-hydraulic, and structural analysis capabilities. REBUS plays a pivotal role in the ARC system as the primary fuel cycle analysis capability for fast reactor problems. Over its 60 year history, ARC software usage with REBUS has been applied to numerous fast and thermal spectrum reactor analysis projects with good to excellent comparison against experiments. The RCT code is a later addition and uses the REBUS restart files to define its input. The RCT code was built to provide pin depletion details on EBR-II models and thus many features of RCT were specifically tailored to the needs of EBR-II models. Additional approximations were invoked which are likely only valid for the EBR-II reactor and the particular fuel management that was done for it. The purpose of the present work is to identify a set of test problems for RCT and assess the code coverage for those test problems. The goal is to document what parts of the existing RCT code are touched by the set of test problems and which are not. Because no detailed verification work has been done on RCT, the existing regression testing suite was chosen for the code coverage assessment. The code coverage analysis of RCT was performed with the Code Coverage Tool of the Intel Fortran compiler which requires modifications to the compilation of RCT. The detailed coverage tables are given for each part of RCT. As will be discussed and shown, some parts of the RCT capability that are known to be used by the EBR-II analysis work are not tested by the regression testing suite. These aspects should be resolved before major source code changes are taken for the RCT software. Because REBUS and DIF3D are not subroutines of RCT, the coverage changes in both of those codes is not altered by RCT. The same is true for all of the modules of DIF3D that are used by RCT such as SYSLIB and SEGLIB.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Ring Buffered Network Bus

This report describes the research effort to demonstrate the integration of a data sharing technology, Ring Buffered Network Bus, in development by Dryden Flight Research Center, with an engine simulation application, the Java Gas Turbine Simulator, in development at the University of Toledo under a grant from the Glenn Research Center. The objective of this task was to examine the application of the RBNB technologies as a key component in the data sharing, health monitoring and system wide modeling elements of the NASA Aviation Safety Program (AVSP) [Golding, 1997]. System-wide monitoring and modeling of aircraft and air safety systems will require access to all data sources which are relative factors when monitoring or modeling the national airspace such as radar, weather, aircraft performance, engine performance, schedule and planning, airport configuration, flight operations, etc. The data sharing portion of the overall AVSP program is responsible for providing the hardware and software architecture to access and distribute data, including real-time flight operations data, among all of the AVSP elements. The integration of an engine code capable of numerically "flying" through recorded flight paths and weather data using a software tool that allows for distributed access of data to this engine code demonstrates initial steps toward building a system capable of monitoring and modeling the National Airspace.

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