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epJSON Editor

The software provides an interface to the EnergyPlus input file, providing similar functionality to the IdfEditor tool but written in Python and specifically targeting the JSON-formatted input file. This interface occupies (as IdfEditor did previously) the niche between directly editing the input file and use of a more full-featured graphical user interface, providing both advanced and novice users with a simple interface. An extensive effort was made to gather stakeholder feedback in order to avoid merely duplicating the features of IdfEditor and to build an interface that met the needs of users both now and into the future.

Glazer, Jason↗

NEQAIR v15.0 Release Notes: Nonequilibrium and Equilibrium Radiative Transport and Spectra Program

NEQAIR v15.0 provides the first steps to improved coupling between NEQAIR and the DPLR CFD code, which will be fully realized in v15.1. The plan is to release NEQAIR v15.1 and DPLR 4.05 at the same time. The improvements implemented in NEQAIR v15.0 have focused on improving stability, solution robustness, usability and providing different options for running the code. It is also the first version of the code to have a new input file and line of sight format since 2009. Backward compatibility with previous formats of the input files (neqair.inp and LOS.dat) has also been provided. NEQAIR v15.0 supersedes the prerelease of this version, as well as NEQAIR v14.0, v13.2, v13.1 and the suite of NEQAIR2009 versions. These updates have predominantly been performed by Brett Cruden and Aaron Brandis from AMA Inc at NASA Ames Research Center between 2016 and 2018. NEQAIR v15.0 is a standalone software tool for line-by-line spectral computation of radiative intensities and/or radiative heat flux, with one-dimensional transport of radiation. In order to accomplish this, NEQAIR v15.0, as in previous versions, requires the specification of distances (in cm), temperatures (in K) and number densities (in parts/cc) of constituent species along lines of sight. Therefore, it is assumed that flow quantities have been extracted from flow fields computed using other tools, such as CFD codes like DPLR or LAURA, and that lines of sight have been constructed and written out in the format required by NEQAIR v15.0. There are two principal modes for running NEQAIR v15.0. In the first mode NEQAIR v15.0 is used as a tool for creating synthetic spectra of any desired resolution (including convolution with a specified instrument/slit function). The first mode is typically exercised in simulating/interpreting spectroscopic measurements of different sources (e.g. shock tube data, plasma torches, etc.). In the second mode, NEQAIR v15.0 is used as a radiative heat flux prediction tool for flight projects. Correspondingly, NEQAIR has also been used to simulate the radiance measured on previous flight missions. This report summarizes the database updates, corrections that have been made to the code, changes to input files, parallelization, the current usage recommendations, including test cases, and an indication of the performance enhancements achieved.

Brandis, Aaron M.↗

Uncertainty Quantification for Electronic Hamiltonian

This program will generate random points for electrons within the dimensions given by a parameter input file. Based on these randomly generated electron positions and the nuclear positions given by a position input file it will generate a value for the total electronic energy of an isolated system. This total electronic energy is calculated using the electronic Hamiltonian for a monoatomic system with atoms having the same number of protons and neutrons. The size of the system is defined by the parameter input file. The program will do this many times to generate a distribution of theoretically possible electronic total energies of the system. A user can then compare the total electronic energy given by their electronic structure method to make sure it falls within the distribution of theoretically possible values.

Savchick, JuniperC↗

Interface Program for Reliability Predictions

CARE3MENU generates input file for CARE III program. Used to predict reliabilities of complex, redundant, fault-tolerant systems, including digital computers, aircraft, and nuclear and chemical control systems. CARE III input file often becomes complicated and not easily formatted with text editor. Provides easy interactive method of creating input file by automatically formatting set of user-supplied inputs for CARE III system. CARE3MENU provides detailed online help for most of its screen formats.

Bavuso, S. J.↗

Tool for Merging Proposals Into DSN Schedules

A Practical Extraction and Reporting Language (Perl) script called merge7da has been developed to facilitate determination, by a project scheduler in NASA's Deep Space Network, of whether a proposal for use of the DSN could create a conflict with the current DSN schedule. Prior to the development of merge7da, there was no way to quickly identify potential schedule conflicts: it was necessary to submit a proposal and wait a day or two for a response from a DSN scheduling facility. By using merge7da to detect and eliminate potential schedule conflicts before submitting a proposal, a project scheduler saves time and gains assurance that the proposal will probably be accepted. merge7da accepts two input files, one of which contains the current DSN schedule and is in a DSN-standard format called '7da'. The other input file contains the proposal and is in another DSN-standard format called 'C1/C2'. merge7da processes the two input files to produce a merged 7da-format output file that represents the DSN schedule as it would be if the proposal were to be adopted. This 7da output file can be loaded into various DSN scheduling software tools now in use.

Khanampornpan, Teerapat↗

General Rotorcraft Aeromechanical Stability Program (GRASP) version 1.03: User's manual

The Rotorcraft Dynamics Division, Aeroflightdynamics Directorate, U.S. Army Aviation Research and Technology Activity has developed the General Rotorcraft Aeromechanical Stability Program (GRASP) to perform calculations that will assess the stability of rotorcraft in hovering flight and ground contact conditions. The program is designed to be state-of-the-art, hybrid, finite-element/multibody code that can be applied to all existing and future helicopter configurations. While GRASP was specifically designed to solve rotorcraft stability problems, its innovative structure and formulation allow for application to a wide range of structures. This manual describes the preparation of the input file required by Version 1.03 of GRASP, the procedures used to invoke GRASP on the NASA Ames Research Center CRAY X-MP 48 computer, and the interpretation of the output produced by GRASP. The parameters used by the input file are defined, and summaries of the input file and the job control language are included.

Hopkins, A. Stewart↗

Wake Vortex Inverse Model User's Guide

NorthWest Research Associates (NWRA) has developed an inverse model for inverting landing aircraft vortex data. The data used for the inversion are the time evolution of the lateral transport position and vertical position of both the port and starboard vortices. The inverse model performs iterative forward model runs using various estimates of vortex parameters, vertical crosswind profiles, and vortex circulation as a function of wake age. Forward model predictions of lateral transport and altitude are then compared with the observed data. Differences between the data and model predictions guide the choice of vortex parameter values, crosswind profile and circulation evolution in the next iteration. Iterations are performed until a user-defined criterion is satisfied. Currently, the inverse model is set to stop when the improvement in the rms deviation between the data and model predictions is less than 1 percent for two consecutive iterations. The forward model used in this inverse model is a modified version of the Shear-APA model. A detailed description of this forward model, the inverse model, and its validation are presented in a different report (Lai, Mellman, Robins, and Delisi, 2007). This document is a User's Guide for the Wake Vortex Inverse Model. Section 2 presents an overview of the inverse model program. Execution of the inverse model is described in Section 3. When executing the inverse model, a user is requested to provide the name of an input file which contains the inverse model parameters, the various datasets, and directories needed for the inversion. A detailed description of the list of parameters in the inversion input file is presented in Section 4. A user has an option to save the inversion results of each lidar track in a mat-file (a condensed data file in Matlab format). These saved mat-files can be used for post-inversion analysis. A description of the contents of the saved files is given in Section 5. An example of an inversion input file, with preferred parameters values, is given in Appendix A. An example of the plot generated at a normal completion of the inversion is shown in Appendix B.

Lai, David↗

Model Data for the Mesh Convergence Study Demonstrating Benefits of Mixed-polyhedral Mesh in Integrated Hydrology Simulations

This archived model data is related to a study introducing a unique method that employs a stream-aligned mixed-polyhedral mesh to effectively and accurately represent river valleys, stream corridors, and narrow engineered channels in integrated hydrology simulations. The study finds that utilizing stream-aligned mixed-polyhedral meshes in integrated hydrology simulations achieves accuracy on par with a finely refined TIN-based mesh while markedly diminishing computational costs. This archive contains scripts and data files needed to generate the ATS model input, including mesh and ATS input files, for all mesh scenarios using the Watershed Workflow package. Additionally, this archive also provides key outputs from the model simulations that are used in the analysis and post-processing scripts to reproduce figures in the manuscript. The Watershed Workflow package is implemented in Python3. The Jupyter notebooks can be executed through multiple open-source tools, for example, Anaconda Jupyter Lab, VS Studio Code, etc. Other data files include CSV and HDF5 files, which can be read through Python scripts. The input files for the ATS model, open-source integrated hydrology, and transport model are in XML format and can be edited in any commonly used text editors.

54 ENVIRONMENTAL SCIENCES↗

Flow prediction for propfan engine installation effects on transport aircraft at transonic speeds

An Euler-based method for aerodynamic analysis of turboprop transport aircraft at transonic speeds has been developed. In this method, inviscid Euler equations are solved over surface-fitted grids constructed about aircraft configurations. Propeller effects are simulated by specifying sources of momentum and energy on an actuator disc located in place of the propeller. A stripwise boundary layer procedure is included to account for the viscous effects. A preliminary version of an approach to embed the exhaust plume within the global Euler solution has also been developed for more accurate treatment of the exhaust flow. The resulting system of programs is capable of handling wing-body-nacelle-propeller configurations. The propeller disks may be tractors or pushers and may represent single or counterrotation propellers. Results from analyses of three test cases of interest (a wing alone, a wing-body-nacelle model, and a wing-nacelle-endplate model) are presented. A user's manual for executing the system of computer programs with formats of various input files, sample job decks, and sample input files is provided in appendices.

Samant, S. S.↗

Developing and utilizing an Euler computational method for predicting the airframe/propulsion effects for an aft-mounted turboprop transport. Volume 1: Theory document

An Euler flow solver was developed for predicting the airframe/propulsion integration effects for an aft-mounted turboprop transport. This solver employs a highly efficient multigrid scheme, with a successive mesh-refinement procedure to accelerate the convergence of the solution. A new dissipation model was also implemented to render solutions that are grid insensitive. The propeller power effects are simulated by the actuator disk concept. An embedded flow solution method was developed for predicting the detailed flow characteristics in the local vicinity of an aft-mounted propfan engine in the presence of a flow field induced by a complete aircraft. Results from test case analysis are presented. A user's guide for execution of computer programs, including format of various input files, sample job decks, and sample input files, is provided in an accompanying volume.

Chen, H. C.↗

Dataset for scientific paper "Simulated plant‑mediated oxygen input has strong impacts on fine‑scale porewater biogeochemistry and weak impacts on integrated methane fluxes in coastal wetlands", a modeling study based on field observation at the tidal salt marshes of the Parker River Estuary, Massachusetts, United States

This dataset is the raw and processed data for the paper "Simulated plant ‑ mediated oxygen input has strong impacts on fine ‑ scale porewater biogeochemistry and weak impacts on integrated methane fluxes in coastal wetlands". This study investigated how plant-mediated oxygen input affects subsurface biogeochemical reactions of organic carbon degradation and the resulting methane emissions of coastal wetlands by model simulation. We used the subsurface geochemical simulator PFLOTRAN for the modeling, which produced the simulated changes in porewater chemical substances and methane emissions over 10 days under different scenarios of plant-mediated oxygen input.Specifically, this dataset contains: 1) the input files for PFLOTRAN of all simulation runs conducted in this study. Those files are with an extension of ".in", containing information of the biogeochemical reaction network (stoichiometry, reaction rate, Monod constants, etc), fluid flow rate and oxygen concentration in the fluid which together simulated the plant-mediated oxygen input, the configuration of artificial reactions that simulated the methane fluxes, etc. The PFLOTRAN input files are text files, which can be opened by NotePad, but running these input files will require proper installation of PFLOTRAN (instruction: https://documentation.pflotran.org/user_guide/how_to/installation/installation.html). 2) the raw and processed model output from PFLOTRAN of all simulation runs, and 3) the python scripts used to process the raw model output, including random allocation of root cells, converting raw data into organized formats, calculating the methane fluxes based on the model output, data visualization, etc. The raw and processed model output from PFLOTRAN are in .spydata format, which can be viewed with Python. and 3) the python scripts for data processing and analysis are programming scripts, which can be opened with Python.This modeling work, in particular the model parameterization of root density and initial conditions of porewater concentrations of biogeochemical substances, was based on field measurements at the salt marsh of the Upper Parker River Estuary, Massachusetts, United States.

54 ENVIRONMENTAL SCIENCES↗

(U) A Tool to Set Up an MCNP6 Input to Use Correlated Sampling with Batch Statistics

Correlated sampling using batch statistics with MCNP6’s tally fluctuation charts (TFCs) is a powerful means of reducing the statistical uncertainties of various combinations of tallies. Because MCNP6 prints a maximum of 20 entries in the TFCs, at least five inputs must be run to obtain the recommended number of at least 100 batches. A new software tool, MAKE_COSUBS, reads an MCNP6 input file and sets up a sequence of input files to be run. The user runs MAKE_COSUBS for the unperturbed and all perturbed MCNP6 inputs, runs MCNP6 for the inputs, and finally analyzes the outputs using COSUBS.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

LIM1TR: Lithium-Ion Modeling with 1-D Thermal Runaway (V.1.0)

LIM1TR (Lithium-Ion Modeling with 1-D Thermal Runaway) is an open-source code that uses the finite volume method to simulate heat transfer and chemical kinetics on a quasi 1-D domain. The target application of this software is to simulate thermal runaway in systems of lithium-ion batteries. The source code for LIM1TR can be found at https://github.com/ajkur/lim1tr. This user guide details the steps required to create and run simulations with LIM1TR starting with setting up the Python environment, generating an input file, and running a simulation. Additional details are provided on the output of LIM1TR as well as extending the code with custom reaction models. This user guide concludes with simple example analyses of common battery thermal runaway scenarios. The corresponding input files and processing scripts can be found in the “Examples” folder in the on-line repository, with select input files included in the appendix of this document.

25 ENERGY STORAGE↗

Application Program Interface for the Orion Aerodynamics Database

The Application Programming Interface (API) for the Crew Exploration Vehicle (CEV) Aerodynamic Database has been developed to provide the developers of software an easily implemented, fully self-contained method of accessing the CEV Aerodynamic Database for use in their analysis and simulation tools. The API is programmed in C and provides a series of functions to interact with the database, such as initialization, selecting various options, and calculating the aerodynamic data. No special functions (file read/write, table lookup) are required on the host system other than those included with a standard ANSI C installation. It reads one or more files of aero data tables. Previous releases of aerodynamic databases for space vehicles have only included data tables and a document of the algorithm and equations to combine them for the total aerodynamic forces and moments. This process required each software tool to have a unique implementation of the database code. Errors or omissions in the documentation, or errors in the implementation, led to a lengthy and burdensome process of having to debug each instance of the code. Additionally, input file formats differ for each space vehicle simulation tool, requiring the aero database tables to be reformatted to meet the tool s input file structure requirements. Finally, the capabilities for built-in table lookup routines vary for each simulation tool. Implementation of a new database may require an update to and verification of the table lookup routines. This may be required if the number of dimensions of a data table exceeds the capability of the simulation tools built-in lookup routines. A single software solution was created to provide an aerodynamics software model that could be integrated into other simulation and analysis tools. The highly complex Orion aerodynamics model can then be quickly included in a wide variety of tools. The API code is written in ANSI C for ease of portability to a wide variety of systems. The input data files are in standard formatted ASCII, also for improved portability. The API contains its own implementation of multidimensional table reading and lookup routines. The same aerodynamics input file can be used without modification on all implementations. The turnaround time from aerodynamics model release to a working implementation is significantly reduced

Robinson, Philip E.↗

Increased accuracy of multiphysics simulations through flexible execution, transient algorithms, and modular physics

The MOOSE framework is a foundational capability used by the NEAMS program to create over 15 different simulation tools for advanced nuclear reactors. Due to MOOSE’s broad use, improvements to the framework in support of modeling and simulation goals are critical to the program. Such improvements can take many forms, including optimization, improved user experience, streamlined application programming interfaces (APIs), parallelism, and new capabilities. The work described in this report was conducted in direct support of the simulation tools and has already been deployed. The capabilities were implemented in the same order as they are covered in this report: multiple time integrators in the same input file, initial design of framework Components, an input file Application block, extension of NetGen to 3D geometries in MOOSE, and deployment of executors in the multi-system paradigm. These five additions are fundamental capabilities that will be leveraged by many NEAMS applications.

97 MATHEMATICS AND COMPUTING↗

Rocket-Plume Spectroscopy Simulation for Hydrocarbon-Fueled Rocket Engines

The UV-Vis spectroscopic system for plume diagnostics monitors rocket engine health by using several analytical tools developed at Stennis Space Center (SSC), including the rocket plume spectroscopy simulation code (RPSSC), to identify and quantify the alloys from the metallic elements observed in engine plumes. Because the hydrocarbon-fueled rocket engine is likely to contain C2, CO, CH, CN, and NO in addition to OH and H2O, the relevant electronic bands of these molecules in the spectral range of 300 to 850 nm in the RPSSC have been included. SSC incorporated several enhancements and modifications to the original line-by-line spectral simulation computer program implemented for plume spectral data analysis and quantification in 1994. These changes made the program applicable to the Space Shuttle Main Engine (SSME) and the Diagnostic Testbed Facility Thruster (DTFT) exhaust plume spectral data. Modifications included updating the molecular and spectral parameters for OH, adding spectral parameter input files optimized for the 10 elements of interest in the spectral range from 320 to 430 nm and linking the output to graphing and analysis packages. Additionally, the ability to handle the non-uniform wavelength interval at which the spectral computations are made was added. This allowed a precise superposition of wavelengths at which the spectral measurements have been made with the wavelengths at which the spectral computations are done by using the line-by-line (LBL) code. To account for hydrocarbon combustion products in the plume, which might interfere with detection and quantification of metallic elements in the spectral region of 300 to 850 nm, the spectroscopic code has been enhanced to include the carbon-based combustion species of C2, CO, and CH. In addition, CN and NO have spectral bands in 300 to 850 nm and, while these molecules are not direct products of hydrocarbon-oxygen combustion systems, they can show up if nitrogen or a nitrogen compound is present as an impurity in the propellants and/or these can form in the boundary layer as a result of interaction of the hot plume with the atmosphere during the ground testing of engines. Ten additional electronic band systems of these five molecules have been included into the code. A comprehensive literature search was conducted to obtain the most accurate values for the molecular and the spectral parameters, including Franck-Cordon factors and electronic transition moments for all ten band systems. For each elemental transition in the RPSSC, six spectral parameters - Doppler broadened line width at half-height, pressure-broadened line width at half-height, electronic multiplicity of the upper state, electronic term energy of the upper state, Einstein transition probability coefficient, and the atomic line center - are required. Input files have been created for ten elements of Ni, Fe, Cr, Co, Cu, Ca, Mn, Al, Ag, and Pd, which retain only relatively moderate to strong transitions in 300 to 430 nm spectral range for each element. The number of transitions in the input files is 68 for Ni; 148 for Fe; 6 for Cr; 87 for Co; 1 for Ca; 3 for Mn; 2 each for Cu, Al, and Ag; and 11 for Pd.

Tejwani, Gopal D.↗

Operation of the helicopter antenna radiation prediction code

HARP is a front end as well as a back end for the AMC and NEWAIR computer codes. These codes use the Method of Moments (MM) and the Uniform Geometrical Theory of Diffraction (UTD), respectively, to calculate the electromagnetic radiation patterns for antennas on aircraft. The major difficulty in using these codes is in the creation of proper input files for particular aircraft and in verifying that these files are, in fact, what is intended. HARP creates these input files in a consistent manner and allows the user to verify them for correctness using sophisticated 2 and 3D graphics. After antenna field patterns are calculated using either MM or UTD, HARP can display the results on the user's screen or provide hardcopy output. Because the process of collecting data, building the 3D models, and obtaining the calculated field patterns was completely automated by HARP, the researcher's productivity can be many times what it could be if these operations had to be done by hand. A complete, step by step, guide is provided so that the researcher can quickly learn to make use of all the capabilities of HARP.

Braeden, E. W.↗

Automation of the CFD Process on Distributed Computing Systems

A script system was developed to automate and streamline portions of the CFD process. The system was designed to facilitate the use of CFD flow solvers on supercomputer and workstation platforms within a parametric design event. Integrating solver pre- and postprocessing phases, the fully automated ADTT script system marshalled the required input data, submitted the jobs to available computational resources, and processed the resulting output data. A number of codes were incorporated into the script system, which itself was part of a larger integrated design environment software package. The IDE and scripts were used in a design event involving a wind tunnel test. This experience highlighted the need for efficient data and resource management in all parts of the CFD process. To facilitate the use of CFD methods to perform parametric design studies, the script system was developed using UNIX shell and Perl languages. The goal of the work was to minimize the user interaction required to generate the data necessary to fill a parametric design space. The scripts wrote out the required input files for the user-specified flow solver, transferred all necessary input files to the computational resource, submitted and tracked the jobs using the resource queuing structure, and retrieved and post-processed the resulting dataset. For computational resources that did not run queueing software, the script system established its own simple first-in-first-out queueing structure to manage the workload. A variety of flow solvers were incorporated in the script system, including INS2D, PMARC, TIGER and GASP. Adapting the script system to a new flow solver was made easier through the use of object-oriented programming methods. The script system was incorporated into an ADTT integrated design environment and evaluated as part of a wind tunnel experiment. The system successfully generated the data required to fill the desired parametric design space. This stressed the computational resources required to compute and store the information. The scripts were continually modified to improve the utilization of the computational resources and reduce the likelihood of data loss due to failures. An ad-hoc file server was created to manage the large amount of data being generated as part of the design event. Files were stored and retrieved as needed to create new jobs and analyze the results. Additional information is contained in the original.

Tejnil, Ed↗