The Porous Microstructure Analysis (PuMA) Software for High-Temperature Microscale Modeling
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Thornton, John M.↗
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Porous Microstructure Analysis (PuMA) software
- Motivation and objectives - Overview of PuMA - Open-source release - Material properties computation - Artificial geometry generation - Property homogenization for anisotropic media - Fiber orientation - Conductivity - Elasticity - Permeability
homogenization↗
Tool Support for Parametric Analysis of Large Software Simulation Systems
The analysis of large and complex parameterized software systems, e.g., systems simulation in aerospace, is very complicated and time-consuming due to the large parameter space, and the complex, highly coupled nonlinear nature of the different system components. Thus, such systems are generally validated only in regions local to anticipated operating points rather than through characterization of the entire feasible operational envelope of the system. We have addressed the factors deterring such an analysis with a tool to support envelope assessment: we utilize a combination of advanced Monte Carlo generation with n-factor combinatorial parameter variations to limit the number of cases, but still explore important interactions in the parameter space in a systematic fashion. Additional test-cases, automatically generated from models (e.g., UML, Simulink, Stateflow) improve the coverage. The distributed test runs of the software system produce vast amounts of data, making manual analysis impossible. Our tool automatically analyzes the generated data through a combination of unsupervised Bayesian clustering techniques (AutoBayes) and supervised learning of critical parameter ranges using the treatment learner TAR3. The tool has been developed around the Trick simulation environment, which is widely used within NASA. We will present this tool with a GN&C (Guidance, Navigation and Control) simulation of a small satellite system.
Schumann, Johann↗
Spreadsheets for Analyzing and Optimizing Space Missions
XCALIBR (XML Capability Analysis LIBRary) is a set of Extensible Markup Language (XML) database and spreadsheet- based analysis software tools designed to assist in technology-return-on-investment analysis and optimization of technology portfolios pertaining to outer-space missions. XCALIBR is also being examined for use in planning, tracking, and documentation of projects. An XCALIBR database contains information on mission requirements and technological capabilities, which are related by use of an XML taxonomy. XCALIBR incorporates a standardized interface for exporting data and analysis templates to an Excel spreadsheet. Unique features of XCALIBR include the following: It is inherently hierarchical by virtue of its XML basis. The XML taxonomy codifies a comprehensive data structure and data dictionary that includes performance metrics for spacecraft, sensors, and spacecraft systems other than sensors. The taxonomy contains >700 nodes representing all levels, from system through subsystem to individual parts. All entries are searchable and machine readable. There is an intuitive Web-based user interface. The software automatically matches technologies to mission requirements. The software automatically generates, and makes the required entries in, an Excel return-on-investment analysis software tool. The results of an analysis are presented in both tabular and graphical displays.
Some, Raphael R.↗
A Virtual World of Visualization
In 1990, Sterling Software, Inc., developed the Flow Analysis Software Toolkit (FAST) for NASA Ames on contract. FAST is a workstation based modular analysis and visualization tool. It is used to visualize and animate grids and grid oriented data, typically generated by finite difference, finite element and other analytical methods. FAST is now available through COSMIC, NASA's software storehouse.
Source record↗
Evaluating software development by analysis of changes - Some data from the Software Engineering Laboratory
Basili and Weiss (1984) have discussed an approach for obtaining valid data which may be used to evaluate software development methodologies in a production environment. The methodology consists of five elements, including the identification of goals, the determination of questions of interest from the goals, the development of a data collection form, the development of data collection procedures, and the validation and analysis of the data. The current investigation is concerned with the presentation of the results from such an evaluation. The presented data were collected as part of studies reported by Basili et al. (1977). These studies had been conducted by NASA's Software Engineering Laboratory (SEL). Attention is given to an overview of the SEL, the application of the considered methodology, the results of a data analysis, and conclusions about the SEL environment.
Weiss, D. M.↗
Incorporation of a progressive failure analysis method in the CSM testbed software system
Analysis of the postbuckling behavior of composite shell structures pose many difficult and challenging problems in the field of structural mechanics. Current analysis methods perform well for most cases in predicting the postbuckling response of undamaged components. To predict component behavior accurately at higher load levels, the analysis must include the effects of local material failures. The CSM testbed software system is a highly modular structural analysis system currently under development at Langley Research Center. One of the primary goals of the CSM testbed is to provide a software environment for the development of advanced structural analysis methods and modern numerical methods which will exploit advanced computer architecture such as parallel-vector processors. Development of a progressive failure analysis method consists of the design and implementation of a processor which will perform the ply-level progressive failure analysis and the development of a geometrically nonlinear analysis procedure which incorporates the progressive failure processor. Regarding the development of the progressive failure processor, two components are required: failure criteria and a degradation model. For the initial implementation, the failure criteria of Hashin will be used. For a matrix failure which typically indicates the development of transverse matrix cracks, the ply properties will be degraded. Work to date includes the design of the progressive failure analysis processor and initial plans for the controlling geometrically nonlinear analysis procedure. The implementation of the progressive failure analysis has begun. Access to the model database and the Hashin failure criteria are completed. Work is in progress on the input/output operations for the processor related data and the finite element model updating procedures. In total the progressive failure processor is approximately one-third complete.
Arenburg, Robert T.↗
Machine learning framework for predicting uranium enrichments from M400 CZT gamma spectra
A machine learning framework was developed for predicting uranium enrichments from M400 CZT gamma spectra. This framework leverages the availability of a large amount of measured M400 gamma spectra and uses a recently updated version of Gamma Detector Response and Analysis Software (GADRAS) for gamma spectrum analysis and generation. It also leverages the existing machine learning modules in Python for gamma spectrum data processing, curation, model training, benchmarking, and optimization of the deep machine learning models. The framework is used to develop a deep learning model to analyze gamma spectra from a set of U 3 O 8 samples with enrichments ranging from 0.31 to 93.17% and UF 6 cylinders with enrichments ranging from 0.2 to 4.95%, and the model performance is tested using a set of measured spectra and the respective declared enrichment values. Results show that the model can correctly classify 99.35% of the U 3 O 8 sample enrichments, and can predict the samples’ enrichments within an average absolute error of 0.099% (in percentage points of enrichment). For the UF 6 cylinders, the average absolute error was approximately 0.03%, with an accuracy of 98% in classifying discrete enrichment values of UF 6 samples. Finally, the results also show that the model has performed significantly better in terms of predicting enrichments in UF 6 cylinders based on measured gamma spectra than the GEM code, with a standard deviation (of the relative errors) of 2.23% (compared with the 11.51% value for the GEM code) based on results from a set of test data.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Structural reliability methods: Code development status
The Probabilistic Structures Analysis Method (PSAM) program integrates state of the art probabilistic algorithms with structural analysis methods in order to quantify the behavior of Space Shuttle Main Engine structures subject to uncertain loadings, boundary conditions, material parameters, and geometric conditions. An advanced, efficient probabilistic structural analysis software program, NESSUS (Numerical Evaluation of Stochastic Structures Under Stress) was developed as a deliverable. NESSUS contains a number of integrated software components to perform probabilistic analysis of complex structures. A nonlinear finite element module NESSUS/FEM is used to model the structure and obtain structural sensitivities. Some of the capabilities of NESSUS/FEM are shown. A Fast Probability Integration module NESSUS/FPI estimates the probability given the structural sensitivities. A driver module, PFEM, couples the FEM and FPI. NESSUS, version 5.0, addresses component reliability, resistance, and risk.
Millwater, Harry R.↗
Hubble Space Telescope Astrometry Science Team
Topics considered include: Calibration and Astrometry Pipeline; Astrometry Anomaly Analysis; The STAT pipeline and software analysis tools; GTO Program; Parallaxes of Astrophysically Interesting Objects; HST- Hipparcos Extragalactic Link; Ground-Based Observations of Radial Velocities; GTO Globular Cluster Internal Motions; and GTO Hyades Cluster Member FGS Parallaxes.
Benedict, George F.↗
Retrieval of Temperature and Species Distributions from Multispectral Image Data of Surface Flame Spread in Microgravity
Weight, size, and power constraints severely limit the ability of researchers to fully characterize temperature and species distributions in microgravity combustion experiments. A powerful diagnostic technique, infrared imaging spectrometry, has the potential to address the need for temperature and species distribution measurements in microgravity experiments. An infrared spectrum imaged along a line-of-sight contains information on the temperature and species distribution in the imaged path. With multiple lines-of-sight and approximate knowledge of the geometry of the combustion flowfield, a three-dimensional distribution of temperature and species can be obtained from one hyperspectral image of a flame. While infrared imaging spectrometers exist for collecting hyperspectral imagery, the remaining challenge is retrieving the temperature and species information from this data. An initial version of an infrared analysis software package, called CAMEO (Combustion Analysis Model et Optimizer), has been developed for retrieving temperature and species distributions from hyperspectral imaging data of combustion flowfields. CAMEO has been applied to the analysis of multispectral imaging data of flame spread over a PMMA surface in microgravity that was acquired in the DARTFire program. In the next section of this paper, a description of CAMEO and its operation is presented, followed by the results of the analysis of microgravity flame spread data.
Annen, K. D.↗
LS-DYNA User-Defined Internal Ballistic Modeling
- LS-DYNA Explicit Finite Element Analysis software and CADPROG Internal Ballistic Analysis code are integrated as a single modeling tool to analyze pyro-mechanical devices. - Combining these two codes allows the ballistic calculations to be performed without modeling the propellant in an FEA mesh. At each LS-DYNA time step, CADPROG is analytically run using the kinematic data (stroke, velocity, chamber volume) fed back from the LS-DYNA simulation. Calculated pressure is then applied to a piston or any applicable surface mesh in LS-DYNA model interactively. -All external loads such as friction, damping loads, assisting/resisting loads, locking/unlocking loads are modeled in LS-DYNA and coupled with pressure loads from CADPROG to create a fully defined equation of motion -Both codes are written in Fortran 77. CADPROG is inserted in LS-DYNA source code as a user-defined subroutine and re-compiled to generate a custom executable.
pyrotechnics↗
LS-DYNA User-Defined Internal Ballistic Modeling
LS-DYNA Explicit Finite Element Analysis software and CADPROG Internal Ballistic Analysis code are integrated as a single modeling tool to analyze pyro-mechanical devices. Coupling these two codes allows the ballistic calculations to be performed without modeling the propellant in an FEA mesh. At each LS-DYNA time step, CADPROG is run analytically using the kinematic data (stroke, velocity, chamber volume) fed back from the LS-DYNA simulation. The calculated pressure is then applied to a piston or any applicable surface mesh in LS-DYNA model interactively. All external loads such as friction, damping loads, assisting/resisting loads, locking/unlocking loads are modeled in LS-DYNA and coupled with pressure loads from CADPROG to create a fully defined equation of motion Both codes are written in Fortran 77. CADPROG is integrated in the LS-DYNA source code as a user-defined subroutine and recompiled to generate a custom executable.
pyrotechnics↗
Statistical Energy Analysis (SEA) and Energy Finite Element Analysis (EFEA) Predictions for a Floor-Equipped Composite Cylinder
Comet Enflow is a commercially available, high frequency vibroacoustic analysis software founded on Energy Finite Element Analysis (EFEA) and Energy Boundary Element Analysis (EBEA). Energy Finite Element Analysis (EFEA) was validated on a floor-equipped composite cylinder by comparing EFEA vibroacoustic response predictions with Statistical Energy Analysis (SEA) and experimental results. Statistical Energy Analysis (SEA) predictions were made using the commercial software program VA One 2009 from ESI Group. The frequency region of interest for this study covers the one-third octave bands with center frequencies from 100 Hz to 4000 Hz.
Grosveld, Ferdinand W.↗
Training and onboarding initiatives in high energy physics experiments
In this article we document the current analysis software training and onboarding activities in several High Energy Physics (HEP) experiments: ATLAS, CMS, LHCb, Belle II and DUNE. Fast and efficient onboarding of new collaboration members is increasingly important for HEP experiments. With rapidly increasing data volumes and larger collaborations the analyses and consequently, the related software, become ever more complex. This necessitates structured onboarding and training. Recognizing this, a meeting series was held by the HEP Software Foundation (HSF) in 2022 for experiments to showcase their initiatives. Here we document and analyze these in an attempt to determine a set of key considerations for future HEP experiments.
analysis software↗
Evaluating software development by analysis of changes: The data from the software engineering laboratory
An effective data collection methodology for evaluating software development methodologies was applied to four different software development projects. Goals of the data collection included characterizing changes and errors, characterizing projects and programmers, identifying effective error detection and correction techniques, and investigating ripple effects. The data collected consisted of changes (including error corrections) made to the software after code was written and baselined, but before testing began. Data collection and validation were concurrent with software development. Changes reported were verified by interviews with programmers.
Source record↗
GLBRC Soil Yearlong Incubation 13C-SIP-Lipidomics
Data package for Lipids represent a dynamic, yet stable pool of microbially-derived soil carbon This data is published under a CC0 license. The authors encourage data reuse and request attribution by referencing the below citations for the data packages and associated manuscript. Please cite as: Rempfert KR, Bell SL, Kasanke CP, Kyle JE, Hofmockel KS. 2025. GLBRC Soil Yearlong Incubation 13C-SIP-Lipidomics. [Data Set] PNNL DataHub. doi: Rempfert KR, Bell SL, Kasanke CP, Kyle JE, Hofmockel KS. 2025. MSV000097435: GLBRC soil yearlong incubation 13C-SIP-Lipidomics [Data Set] MassIVE. doi:10.25345/C57659T3K Rempfert KR, Bell SL, Kasanke CP, Kyle JE, Hofmockel KS. 2025. Lipids represent a dynamic, yet stable pool of microbially-derived soil carbon. In Prep This data package consists of compound-specific 13C SIP-lipidomics data from a yearlong tracer incubation experiment designed to investigate microbial lipid persistence in switchgrass bioenergy crop soils. In order to explore how lipid structure may modulate the persistence of C in soil lipids, we leveraged soils from two sites (Michigan - sandy texture, Wisconsin - silty texture) operated by the U.S. Department of Energy-funded Great Lakes Bioenergy Research Center (GLBRC). These sites had comparable climates, identical management practices, but contrasting soil textures, allowing us to assess the variability of lipid accrual or degradation in soils as well as provide insight regarding the degree to which edaphic properties may regulate the retention of soil lipids. Untargeted lipidomics analyses were performed to identify 13C-labeled lipids in the soil microbiome after long-term incubation. Soils were supplemented with 100 micrograms glucose per gram dry soil (99 atom % 13C or natural abundance for paired control) and incubated; samples were collected two months and one year after glucose addition. Lipid extracts (MPLEx) were analyzed by LC-MS/MS and identified using LIQUID. Calculation of isotopic enrichment of lipids was performed by targeted approach using TarMet to quantify lipid isotopologues and IsoCorrectoR to correct for natural abundance isotopes. Contents: Data package contents reported here are the first version and contain downstream analysis files for the raw LC-MS mass spectrometry files (.mzXML) deposited at the MassIVE database repository under accession MSV000097435 (80 experimental runs; 5.85 GB) | MassIVE DOI: 10.25345/C57659T3K. Support files include the additional data download 'Read Me' file containing data descriptor information. Reported data download contents are structured for compliance with project data sharing guidelines, community standards initiatives, and sponsor stakeholder policies supporting FAIR data principles. Data processing software, analysis tools, and data workflows are listed below corresponding to the host repository long-term location. Available Data Downloads (0.3 GB): "GLBRC soil yearlong incubation 13C-SIP-Lipidomics_readme.txt" - 'Read Me' data package content file (txt) "GLBRC_DataPackage_analysis files" - Data processing files (Rmd) and saved intermediate data processing outputs (rds, csv, xlsx) "GLBRC_13C_lipidomics_dataset.xlsx" - processed data in tabular format (xlsx) Linked Software: LIQUID LC-MS Analysis Software | 10.5281/zenodo.6459462 Lipid Mini-On Software Tools | 10.5281/zenodo.1492803 pmartR Omics Statistical Software | 10.5281/zenodo.6108667 xcms (v4.3.3) TarMet (v1.1.1) IsoCorrectoR (1.24.0) Funding Acknowledgments: This research was supported by an Early Career Research Program award funded by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research (OBER) Genomic Science program under FWP 68292, FWP 07880 and EMSL Exploratory Research Project 51095. A portion of this work was performed in the William R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by OBER and located at Pacific Northwest National Laboratory (PNNL). PNNL is a multi-program national laboratory operated by Battelle for the DOE under Contract DE-AC05-76RLO1830.
Rempfert, Kaitlin R [Pacific Northwest National La↗
Comparison of Comet Enflow and VA One Acoustic-to-Structure Power Flow Predictions
Comet Enflow is a commercially available, high frequency vibroacoustic analysis software based on the Energy Finite Element Analysis (EFEA). In this method the same finite element mesh used for structural and acoustic analysis can be employed for the high frequency solutions. Comet Enflow is being validated for a floor-equipped composite cylinder by comparing the EFEA vibroacoustic response predictions with Statistical Energy Analysis (SEA) results from the commercial software program VA One from ESI Group. Early in this program a number of discrepancies became apparent in the Enflow predicted response for the power flow from an acoustic space to a structural subsystem. The power flow anomalies were studied for a simple cubic, a rectangular and a cylindrical structural model connected to an acoustic cavity. The current investigation focuses on three specific discrepancies between the Comet Enflow and the VA One predictions: the Enflow power transmission coefficient relative to the VA One coupling loss factor; the importance of the accuracy of the acoustic modal density formulation used within Enflow; and the recommended use of fast solvers in Comet Enflow. The frequency region of interest for this study covers the one-third octave bands with center frequencies from 16 Hz to 4000 Hz.
Grosveld, Ferdinand W.↗