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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Systematic and objective evaluation of Earth system models: PCMDI Metrics Package (PMP) version 3

Systematic, routine, and comprehensive evaluation of Earth system models (ESMs) facilitates benchmarking improvement across model generations and identifying the strengths and weaknesses of different model configurations. By gauging the consistency between models and observations, this endeavor is becoming increasingly necessary to objectively synthesize the thousands of simulations contributed to the Coupled Model Intercomparison Project (CMIP) to date. The Program for Climate Model Diagnosis and Intercomparison (PCMDI) Metrics Package (PMP) is an open-source Python software package that provides quick-look objective comparisons of ESMs with one another and with observations. The comparisons include metrics of large- to global-scale climatologies, tropical inter-annual and intra-seasonal variability modes such as the El Niño–Southern Oscillation (ENSO) and Madden–Julian Oscillation (MJO), extratropical modes of variability, regional monsoons, cloud radiative feedbacks, and high-frequency characteristics of simulated precipitation, including its extremes. The PMP comparison results are produced using all model simulations contributed to CMIP6 and earlier CMIP phases. An important objective of the PMP is to document the performance of ESMs participating in the recent phases of CMIP, together with providing version-controlled information for all datasets, software packages, and analysis codes being used in the evaluation process. Among other purposes, this also enables modeling groups to assess performance changes during the ESM development cycle in the context of the error distribution of the multi-model ensemble. Quantitative model evaluation provided by the PMP can assist modelers in their development priorities. In this paper, we provide an overview of the PMP, including its latest capabilities, and discuss its future direction.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

gpCAM v8

gpCAM is a Python software for large-scale Gaussian-Process driven uncertainty quantification, Bayesian Optimization, and Autonomous Experimentation. It is designed with maximum flexibility and customizability while offering record-breaking computing capabilities. In 2023 gpCAM broke the world record for Gaussian processes on large datasets set in 2019. Through clever programming and math, Gaussian Process building blocks, such as prior mean, kernel, and noise functions maintain their mathematical flexibility while supporting acceleration and scaling. This flexibility means that the approximation and uncertainty quantification can be domain-aware and extended over exotic input and output spaces.

Noack, Marcus↗
NASA NTRS2017

Kepler Planet Detection Metrics: Per-Target Detection Contours for Data Release 25

A necessary input to planet occurrence calculations is an accurate model for the pipeline completeness (Burke et al., 2015). This document describes the use of the Kepler planet occurrence rate products in order to calculate a per-target detection contour for the measured Data Release 25 (DR25) pipeline performance. A per-target detection contour measures for a given combination of orbital period, Porb, and planet radius, Rp, what fraction of transit signals are recoverable by the Kepler pipeline (Twicken et al., 2016; Jenkins et al., 2017). The steps for calculating a detection contour follow the procedure outlined in Burke et al. (2015), but have been updated to provide improved accuracy enabled by the substantially larger database of transit injection and recovery tests that were performed on the final version (i.e., SOC 9.3) of the Kepler pipeline (Christiansen, 2017; Burke Catanzarite, 2017a). In the following sections, we describe the main inputs to the per-target detection contour and provide a worked example of the python software released with this document (Kepler Planet Occurrence Rate Tools KeplerPORTs)1 that illustrates the generation of a detection contour in practice. As background material for this document and its nomenclature, we recommend the reader be familiar with the previous method of calculating a detection contour (Section 2 of Burke et al.,2015), input parameters relevant for describing the data quantity and quality of Kepler targets (Burke Catanzarite, 2017b), and the extensive new transit injection and recovery tests of the Kepler pipeline (Christiansen et al., 2016; Burke Catanzarite, 2017a; Christiansen, 2017).

Planet Detection Metrics↗
NASA NTRS2018

PYSAT: Python Satellite Data Analysis Toolkit

A common problem in space science data analysis is combining complementary data sources that are provided and analyzed in different formats and programming languages. The Python Satellite Data Analysis Toolkit (pysat) addresses this issue by providing an open source toolkit that implements the general process of space science data analysis, from beginning to end, in an instrumentindependent manner. This toolkit uses an Instrument object that enables systematic analysis of science data from a variety of platforms within a single interface. Basic functions such as downloading, loading, and cleaning are included for all supported instruments. Common analysis routines are also included, which are instrument and data source independent. A nanokernel is used to provide instrument independence, it is attached to the Instrument object and mediates the systematic and arbitrary modification of loaded data. Pysat uses the nanokernel to improve the rigor of time series analysis, support onthefly orbit determination, and cleanly span file breaks. Pysat's functions and higherlevel scientific analysis features are validated through the use of unit testing. Further adoption by the community provides a set of scientific results produced by a common core, constituting a distributed heritage that supports the validity of the underlying processing and scientific output. These features are used to demonstrate consistency between derived electron density profiles and measured ion drifts, particularly downward ion drifts in the afternoon hours during extreme solar minimum. Pysat builds upon open source Python software that is freely available and encourages communitydriven development.

Stoneback, R.A.↗
NASA NTRS2019

Analysis of Mercury Laser Altimeter Crossovers with Improved Mercury and MESSENGER Ephemerides

Based on previous applications of laser altimetry to planetary geodesy at GSFC [Mazarico et al. (2014),(2016)] and taking advantage of new accurate Mercury and MESSENGER orbits by [Genova et al. (2019)], we analyze altimetric crossovers from the MESSENGER (Mercury Surface, Space Environment, Geochemistry and Ranging) Laser Altimeter (MLA) to solve for orbital and geodetic parameters (e.g., rotation and orientation). We present our results based on a new Python software package recently developed at GSFC that can simulate and process altimetry data in a closed-loop. Realistic simulations of MLA data, including an appropriate range noise from the instrument and realistic terrain roughness, are performed in order to fully characterize the robustness of the solution. The simulation results are then applied to our analysis of the full dataset acquired by the MLA instrument.

Bertone, Stefano↗
NASA NTRSDate not supplied

Cross-Validation of Computational and Experimental Distributed Surface Pressures on the Space Launch System

This paper presents a new workflow for comparing experimental pressure-sensitive paint (PSP) data to computational fluid dynamic (CFD) simulations by way of mapping data from corresponding grids utilizing interpolation methods. In addition to generating quantitative and qualitative point-to-point comparisons between PSP and CFD data, this workflow extracts sectional loading data from both grids and generates lineload comparison charts for corresponding PSP and CFD runs. Experimental PSP data presented in this paper were taken from a 2016 NASA Ames Research Center Unitary Plan Wind Tunnel 11- by 11-Foot Transonic WindTunnel Facility test of the NASA Space Launch System. CFD simulation data for comparison purposes were generated using the FUN3D code. Overall, interpolation onto PSP grids versus CFD grids yields comparable surface pressure fields. However, lineload comparisons are easier to make on the CFD grid-mapped data due to the grid topology and the current capabilities of the lineload analysis tools at NASA Langley Research Center. This workflow is written using contemporary software (Python, Tecplot, PyTecplot), is compatible with existing tools at NASA Langley, and is developed to be adaptable depending on the situation.

SLS↗
DOE OSTI2021

Simulations of Quantum Circuits with Approximate Noise using qsim and Cirq

We introduce multinode quantum trajectory simulations with qsim, an open source high performance simulator of quantum circuits. qsim can be used as a backend of Cirq, a Python software library for writing quantum circuits. We present a novel delayed inner product algorithm for quantum trajectories which can result in an order of magnitude speedup for low noise simulation. We also provide tools to use this framework in Google Cloud Platform, with high performance virtual machines in a single mode or multinode setting. Multinode configurations are well suited to simulate noisy quantum circuits with quantum trajectories. Finally, we introduce an approximate noise model for Google's experimental quantum computing platform and compare the results of noisy simulations with experiments for several quantum algorithms on Google's Quantum Computing Service.

Isakov, Sergei V.↗
DOE OSTI2021

Deep-Lynx-Python-Package

This software is a python package that interacts with the Application Programming Interface (API) suite provided by Deep Lynx. A python codebase may import this package in order to have access to these methods for communicating with a Deep Lynx instance.

Browning, JerenM↗
DOE OSTI2022

Python Group Additivity (pGrAdd) software for estimating species thermochemical properties

ncreasingly complex chemistry models require thermochemical data for many species often estimated from costly first-principles DFT computations. Here we introduce the Python Group Additivity software (pGrAdd) that implements comprehensive group additivity in a simple, modular, lightweight Python package that is extensible and easy to implement. It includes 6 group additivity databases for gas species and Pt(111) adsorbates allowing users to immediately compute thermochemical properties for a wide range of molecules and build new databases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Validation and Verification of Python based Neutron Spectrum Unfolding Software

To validate and verify the python-based code (PySL), designed to replicate the programs used by STAYSL for Beam Correction Factor (BCF) and Self-Shielding Factor (SHIELD), a series of tests were performed. To test BCF a python script was written to generate a random flux history file and both versions of the code processed the data. The test verified matching values up to at least one decimal place, approximately 10,000 tests where run and each one passed. Isotopes began to fail the tests once neutron saturation was reached. To verify this the total time of exposure was varied the isotopes that failed were compared to a list of their half-lives. The test process for SHIELD was very similar but, in this case, the code began by producing an input file with varying thickness and device type/environment for the SHIELD input. The failure condition for this test was if any of the data points for an isotope had a difference above 3%. Approximately 40 of these tests were run and there were only 3 isotopes that had reoccurring failures but only 2% of their points were above the 3% difference. A visual comparison was conducted by plotting the results from both programs. Although the test failed, the differences between their values were minuscule, and the self-shielding factor’s shape was preserved when plotted. Next steps for this project will be validating and verifying the python-based SigPhi code and then reproducing and testing the least squares unfolding performed by STAYSL.

73 - NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

MCM (Marine Carbon Management) [SWR-24-122]

The marine carbon management software is an open-source Python based software that contains generic models for marine carbon capture, marine carbon dioxide removal, marine carbon capture and utilization, marine carbon capture and storage. The models include design parameters, operational conditions and scenarios and technology costs.

Niffenegger, James↗
NASA NTRS2006

Distributed Computing Framework for Synthetic Radar Application

We are developing an extensible software framework, in response to Air Force and NASA needs for distributed computing facilities for a variety of radar applications. The objective of this work is to develop a Python based software framework, that is the framework elements of the middleware that allows developers to control processing flow on a grid in a distributed computing environment. Framework architectures to date allow developers to connect processing functions together as interchangeable objects, thereby allowing a data flow graph to be devised for a specific problem to be solved. The Pyre framework, developed at the California Institute of Technology (Caltech), and now being used as the basis for next-generation radar processing at JPL, is a Python-based software framework. We have extended the Pyre framework to include new facilities to deploy processing components as services, including components that monitor and assess the state of the distributed network for eventual real-time control of grid resources.

synthetic aperture radar (SAR)↗
DOE OSTI2026

geoPFA: A Python-Based Open-Source Software for 3D Geothermal PFA

This work presents a novel Python-based framework, geoPFA, for conducting 3D play fairway analysis (PFA) tailored to superhot geothermal systems. The workflow has been applied to the Nesjavellir field in Iceland, a candidate site for the third Iceland Deep Drilling Project's superhot production scenarios. This application demonstrates the value of modular, transparent, and extensible workflows for integrating geological, geophysical, and simulation-derived datasets in high-enthalpy environments. Preliminary results indicate favorable zones consistent with known hydrothermal activity. The geoPFA library will soon be publicly available, offering a scalable and reproducible approach to geothermal exploration across varied geological contexts.

15 GEOTHERMAL ENERGY↗
DOE OSTI2022

SBbadger: biochemical reaction networks with definable degree distributions

Abstract Motivation An essential step in developing computational tools for the inference, optimization and simulation of biochemical reaction networks is gauging tool performance against earlier efforts using an appropriate set of benchmarks. General strategies for the assembly of benchmark models include collection from the literature, creation via subnetwork extraction and de novo generation. However, with respect to biochemical reaction networks, these approaches and their associated tools are either poorly suited to generate models that reflect the wide range of properties found in natural biochemical networks or to do so in numbers that enable rigorous statistical analysis. Results In this work, we present SBbadger, a python-based software tool for the generation of synthetic biochemical reaction or metabolic networks with user-defined degree distributions, multiple available kinetic formalisms and a host of other definable properties. SBbadger thus enables the creation of benchmark model sets that reflect properties of biological systems and generate the kinetics and model structures typically targeted by computational analysis and inference software. Here, we detail the computational and algorithmic workflow of SBbadger, demonstrate its performance under various settings, provide sample outputs and compare it to currently available biochemical reaction network generation software. Availability and implementation SBbadger is implemented in Python and is freely available at https://github.com/sys-bio/SBbadger and via PyPI at https://pypi.org/project/SBbadger/. Documentation can be found at https://SBbadger.readthedocs.io. Supplementary information Supplementary data are available at Bioinformatics online.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2015

Python-Based Scientific Analysis and Visualization of Precipitation Systems at NASA Marshall Space Flight Center

At NASA Marshall Space Flight Center (MSFC), Python is used several different ways to analyze and visualize precipitating weather systems. A number of different Python‐based software packages have been developed, which are available to the larger scientific community. The approach in all these packages is to utilize pre‐existing Python modules as well as to be object‐oriented and scalable. The first package that will be described and demonstrated is the Python Advanced Microwave Precipitation Radiometer (AMPR) Data Toolkit, or PyAMPR for short. PyAMPR reads geolocated brightness temperature data from any flight of the AMPR airborne instrument over its 25‐year history into a common data structure suitable for user‐defined analyses. It features rapid, simplified (i.e., one line of code) production of quick‐look imagery, including Google Earth overlays, swath plots of individual channels, and strip charts showing multiple channels at once. These plotting routines are also capable of significant customization for detailed, publication‐ready figures. Deconvolution of the polarization‐varying channels to static horizontally and vertically polarized scenes is also available. Examples will be given of PyAMPR's contribution toward real‐time AMPR data display during the Integrated Precipitation and Hydrology Experiment (IPHEx), which took place in the Carolinas during May‐June 2014. The second software package is the Marshall Multi‐Radar/Multi‐Sensor (MRMS) Mosaic Python Toolkit, or MMM‐Py for short. MMM‐Py was designed to read, analyze, and display three‐dimensional national mosaicked reflectivity data produced by the NOAA National Severe Storms Laboratory (NSSL). MMM‐Py can read MRMS mosaics from either their unique binary format or their converted NetCDF format. It can also read and properly interpret the current mosaic design (4 regional tiles) as well as mosaics produced prior to late July 2013 (8 tiles). MMM‐Py can easily stitch multiple tiles together to provide a larger regional or national picture of precipitating weather systems. Composites, horizontal and vertical crosssections, and combinations thereof are easily displayed using as little as one line of code. MMM‐Py can also write to the native MRMS binary format, and sub‐sectioning of tiles (or multiple stitched tiles) is anticipated to be in place by the time of this meeting. Thus, MMM‐Py also can be used to power the creation of custom mosaics for targeted regional studies. Overlays of other data (e.g., lightning observations) are easily accomplished. Demonstrations of MMM‐Py, including the creation of animations, will be shown. Finally, Marshall has done significant work to interface Python‐based analysis routines with the U.S. Department of Energy's Py‐ART software package for radar data ingest, processing, and analysis. One example of this is the Python Turbulence Detection Algorithm (PyTDA), an MSFC‐based implementation of the National Center for Atmospheric Research (NCAR) Turbulence Detection Algorithm (NTDA) for the purposes of convective‐scale analysis, situational awareness, and forensic meteorology. PyTDA exploits Py‐ART's radar data ingest routines and data model to rapidly produce aviation‐relevant turbulence estimates from Doppler radar data. Work toward processing speed optimization and better integration within the Py‐ART framework will be highlighted. Python‐based analysis within the Py‐ART framework is also being done for new research related to intercomparison of ground‐based radar data with satellite estimates of ocean winds, as well as research on the electrification of pyrocumulus clouds.

Lang, Timothy J.↗
DOE OSTI2024

Fox Trails

1. This software utilizes python pandas to pull data from P6 databases or XER files. The software transforms the datasets into multiple main tables by joining, filtering, iteratively flattening hierarchical structured data, and pivoting datasets to give simple flat output tables. The activity table includes all of the information related to an activity including activity codes, global, EPS, and project codes, UDFs, and WBS information as separate columns. This includes the code id, code value and sequence number for all levels in hierarchical codes. The resource table is similar to the activity table and includes all of the information related to resources on activities including UPFs and resource codes. The resource time phased table takes the resource information and time phases it for the budget, forecast, late, and actual dates/units/costs that closely matches P6's user interface's values as it implements the resource curve and calendars. The wbs table contains the WBS structure broken out by levels and includes UDFs, codes, and notebook topics. The final P6 data table is the relationships table which simply contains the relationships. 2. When a user updates the tool with data (via giving it P6 project names with database username/password information or XER files) the system creates the data in #1, then creates a networkx graph with the activity data imbedded in the node data and the relationships added as edges. Each edge also has it's float calculated (working time distance between the predecessor and successor) and attached to the edge. Activities are also tagged as a potential start of a path based on their constraints, constraint dates, remaining start date, and activity status. When a user enters an activity ID into the UI, it runs a shortest path calculation on the network graph between each node tagged as potential start to the entered activity id based on the float tagged on the edge. Each path returned by the algorithm contains all of the nodes on the path in order, as well as the total float of the edges that make the path. This data is then collected and returned to the user in the form of a gantt chart with groupings for each path that includes the total float for each group. 3. Similar to 2, if the user passes through a reference dataset each activity set in the path is checked to see if it had a path in the reference dataset, if that path was the primary path between the start and end activities, and what has changed regarding logic and durations. These changes are color coded and summarized before sent to the user to be displayed by the UI for simple discovery. 4. Utilizing the data from #1, the user can submit desired grouping code(s) and filters to the system. The system will then pull the activities, resources, and relationships and create a gantt chart based on the groupings sent and filtered based on the filters sent. 5. The system will produce a gantt chart in a similar method to #4, but allows interactivity with the data. As the user interacts with the gantt chart, the software captures the changes and stores it with the user making the change so that project controls and implement those changes in P6.

Fox, Ben↗
DOE OSTI2022

HOMP (Hybrid Operation and Maintenance Platform) [SWR-22-81]

The HOMP software module is contained within NREL's Hybrid Optimization and Performance Platform (HOPP) at this URL: https://github.com/NREL/HOPP/tree/feature/HOMP. HOMP is a python-based software module which can be used concurrently with the Hybrid Optimization and Performance Platform (HOPP) to model, simulate, and optimize degradation, reliability, and operations and maintenance of hybrid power plant components. The program currently models lithium ion battery, PEM electrolyzer, wind turbine, and solar PV array components, which enables users to understand the design and operation tradeoffs of hybrid power plants. For instance, HOMP enables users to answer questions like: how large does a battery bank need to be to achieve optimal charge/discharge rates for performance and reliability? How does plant design change for different objectives (e.g., profit versus resilience)? Under what conditions is it better to produce electricity versus hydrogen? How do we optimally control hybrid power plants to reduce downtime and increase performance?

Clark, Caitlyn↗
DOE OSTI2023

Automated descriptor selection, volcano curve generation, and active site determination using the DescMAP software

The material space for catalyst discovery is expansive. Volcano curves are traditionally employed to provide physical insights into optimal catalyst characteristics for new material selection. Their generation lies on a single descriptor picked using expert knowledge. Here we present DescMAP, a Python-based software, to automate the selection of descriptors, the generation of volcano maps, and the identification of active sites for structure-sensitive reactions. Here, we consider traditional energy-based and geometric descriptors for structure-sensitive reactions. DescMAP is integrated with the Virtual Kinetic Laboratory (VLab) to provide multiple functionalities. It inputs spreadsheets or template files for flexibility and outputs interactive graphs for post-processing. We demonstrate its features using the non-oxidative dehydrogenation of ethane to ethylene over (111) closed-packed surfaces and the methane total oxidation over various Pt facets. It can be easily applied to other complex chemistries and achieves quick screening of potential catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗