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

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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Study of the force coefficients on plates using an open source numerical wave tank

An open source numerical wave tank based on the OpenFOAM® software was setup and tested to solve the Navier-Stokes equations. This work focused on submerged plates because of their simple geometry, their importance as a design component (e.g., heave plates), and the broad availability of published experimental results. Two-dimensional plates in an oscillatory flow, as well as three-dimensional circular disks and square plates undergoing forced oscillations were simulated in conditions where the nonlinearity of hydrodynamic viscous drag and inertia forces can be probed easily. The effect of plate thickness as well as the ability of the numerical simulations to predict wave radiation damping at shallow plate submergence were also considered. Overall, force coefficient predictions were very satisfactory when compared to experimental data, and generally exhibited less scatter. Here, the influence of both Keulegan-Carpenter number and frequency parameter on the hydrodynamic force could be assessed as well from these numerical simulations as from past laboratory experiments.

13 HYDRO ENERGY↗
DOE OSTI2023

Data and Scripts associated with: “Laboratory evaluation of open source and commercial electrical conductivity sensor precision and accuracy”

This data package is associated with the publication “Laboratory evaluation of open source and commercial electrical conductivity sensor precision and accuracy: How do they compare?” submitted to PLOS ONE and accepted for publication (Fulton, S.G. et al. 2023; doi not yet available).Variation in electrical conductivity (EC) of water is important to reveal environmental disturbance and natural dynamics, including factors such as anthropogenic salinization. This data package supports a study addressing the need for a robust performance assessment of open source (OS) EC sensors. We evaluated the accuracy (mean error, %) and precision (sample standard deviation) of OS EC sensors in the laboratory via comparison to EC calibration standards using three different OS and OS/commercial-hybrid (OS/C) EC sensors and data logger configurations and two commercial (C) EC sensors and data logger configurations. We also evaluated the effect of cable length (7.5 m and 30 m) and sensor calibration on OS sensor accuracy and precision. This data package presents the results from the different testing laboratory configurations. It also includes an R script for statistical analysis of the data and an Arduino IDE file used to calibrate and collect data with the OS Atlas EC sensor. File types are .csv, .pdf, .R, and .ino.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Equation-based and data-driven modeling: Open-source software current state and future directions

Here, a review of current trends in scientific computing reveals a broad shift to open-source and higher-level programming languages such as Python and growing career opportunities over the next decade. Open-source modeling tools accelerate innovation in equation-based and data-driven applications. Significant resources have been deployed to develop data-driven tools (PyTorch, TensorFlow, Scikit-learn) from tech companies that rely on machine learning services to meet business needs while keeping the foundational tools open. Open-source equation-based tools such as Pyomo, CasADi, Gekko, and JuMP are also gaining momentum according to user community and development pace metrics. Integration of data-driven and principles-based tools is emerging. New compute hardware, productivity software, and training resources have the potential to radically accelerate progress. However, long-term support mechanisms are still necessary to sustain the momentum and maintenance of critical foundational packages.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Open Source Platform for Live Processing of High Data Rate Electron Microscopy (SBIR Phase I Award Topic 15, Subtopic B, Final Scientific / Technical Report)

4D scanning transmission electron microscopy (STEM) is experiencing a revolution both in terms of data size, and data veracity, as are many other areas of experimental data acquisition. This presents enormous opportunities to make new scientific discoveries, but is also hamstrung by aging software that is no longer fit for purpose. Experimental data acquisition platforms must make the same investments in software infrastructure that the simulation community made decades ago to take advantage of high-performance computing (HPC) if they hope to realize the full potential of the latest advances made in detector technology. This requires rethinking the design and deployment of hardware, moving away from small, fixed commodity computing capabilities with closed interfaces to open, modular, scalable systems designed for parallelism and throughput. The technical approach will leverage best-in-class open source technologies, and develop new approaches strategically to build an open source platform for experimental data acquisition targeting high data rate electron microscopy. The project will develop a software platform that uses the power and performance of modern HPC resources to ingest the large volume of data produced by electron microscopes using direct electron detectors. A set of configurable pipelines will be used to enable the processing to be tailored to the problem being investigated with builtin visualization of data at interactive rates. This project will leverage investments made by the DOE and other agencies to provide a powerful software platform for the experimental data community working with most powerful electron microscopes, such as 4D STEM detectors. It will create a platform that serves as a reference for the community. Permissive open source licensing will make the platform available to all, with a simple deployment strategy offering the ability to keep data close to where it is generated. This advanced software platform will require customization for each deployment, creating opportunities for software services that are typically offered to extend open source software platforms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

MOOSE Reactor Module: An Open-Source Capability for Meshing Nuclear Reactor Geometries

The U.S. Department of Energy (DOE) Nuclear Energy Advanced Modeling and Simulation (NEAMS) program has developed numerous physics solvers utilizing the open-source Multiphysics Object-Oriented Simulation Environment (MOOSE) framework for multiphysics reactor analysis. These solvers require input finite element meshes representing the discretized spatial domain. Typically, reactor analysts turn to licensed tools for the creation of reactor geometry meshes. Recently, open-source functionality has been added to the MOOSE framework to mesh common reactor geometries and improve MOOSE-based nuclear reactor application user workflows. The new functionality is primarily contained in the new Reactor module of MOOSE and includes support for hexagonal pins, assemblies, and cores, extended Cartesian geometry support, options for modeling static and rotating control drums within a hexagonal assembly, core periphery triangulation, and automatic tagging of pin, assembly, plane, and depletion regions for easier post processing of physics results. A set of reactor geometry mesh builder objects further streamlines the construction of hexagonal and Cartesian cores and allows mapping of materials to regions during mesh generation. The meshes produced with the MOOSE Reactor module may be used directly within MOOSE-based applications or exported as Exodus II files for use in other finite element solvers. The tools have been demonstrated and verified using a variety of NEAMS physics solvers on a range of reactor applications, including a sodium-cooled fast reactor core analysis using Griffin, a fast reactor assembly thermal deformation analysis using MOOSE Tensor Mechanics, and a heat pipe–cooled microreactor coupled analysis using Griffin, Bison, and Sockeye. MOOSE’s Reactor module provides significant advantages compared to the use of external meshing tools when analyzing Cartesian and hexagonal reactor lattices using MOOSE-based applications: immediate accessibility (open-source) to the end user, low barrier to entry for new users, speed of mesh generation, volume preservation of meshed fuel pins, and simplification of analysis workflow when used in conjunction with MOOSE-based applications.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2023

Developing Synthetic Distribution Models Using Open-Source Data Sets

The deployment of distributed generation resources at scale with the distribution side of the power system network over the last two decades has spurred a lot of research interest in distribution networks. Given, the sensitive nature of power system data sets, utilities are still reluctant to open-source distribution networks. Although some open-source data sets are available, they may not cover the region of interest. In this paper, we introduce the Synthetic dIstribution Network Generator (SING), new software that allows users to develop synthetic distribution models, using open-source data sets, in any region of interest within the continental US.

data set↗
DOE OSTI2020

Open Source dGen: Beta Release

This presentation provides an update on the dGen beta release as it approaches the full release in September 2020. The presentation includes the open source approach, updates for the open source, a dGen setup and demo, and the road map for the full release and upcoming reports.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2022

The Astropy Project: Sustaining and Growing a Community-oriented Open-source Project and the Latest Major Release (v5.0) of the Core Package

The Astropy Project supports and fosters the development of open-source and openly developed Python packages that provide commonly needed functionality to the astronomical community. A key element of the Astropy Project is the core package astropy, which serves as the foundation for more specialized projects and packages. In this article, we summarize key features in the core package as of the recent major release, version 5.0, and provide major updates on the Project. We then discuss supporting a broader ecosystem of interoperable packages, including connections with several astronomical observatories and missions. We also revisit the future outlook of the Astropy Project and the current status of Learn Astropy. We conclude by raising and discussing the current and future challenges facing the Project.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Open Source Modeling for Power Systems Dynamics

Time-domain simulations for power systems (both phasor and electromagnetic transients) are mostly dominated by commercial tools, such as PSS/E or PSCAD. However, with the increasing penetration of inverter-based resources and changes in model paradigm, new open-source tools are looking into become a possible alternative for a range of stakeholders. In this presentation we will focus on how to improve communication with industry and other stakeholders to properly showcase the value of open source simulators. Participants will identify current barriers facing the adoption of open-source time-domain tools, and will discuss how to improve the bench-marking processes across different tools, while maintaining software modularity to include new features and models as new challenges continue to happen in energy systems.

ENERGY PLANNING, POLICY, AND ECONOMY,MATHEMATICS A↗
DOE OSTI2018

Aimsgb: An algorithm and open-source python library to generate periodic grain boundary structures

An algorithm implemented in an open-source python library was developed for building periodic grain boundary models in a universal fashion. The software framework, aimsgb, aims to generate tilt and twist grain boundaries from an input cubic or non-cubic crystal structure for ab-initio and classical atomistic simulation. It can output a coincidence site lattice (CSL) grain boundary for a cubic input structure and a non-CSL grain boundary for a non-cubic input structure. This framework has two useful features: (i) it can calculate all the CSL matrices for generating CSL from a given Sigma (Σ) value and rotation axis, allowing the users to build the specific CSL and grain boundary models; (ii) it provides a convenient command line tool to enable high-throughput generation of tilt and twist grain boundaries by assigning an input crystal structure, Σ value, rotation axis, and grain boundary plane. Here, the developed algorithm in the open-source python library is expected to facilitate studies of grain boundary in materials science. The software framework is available on the website: aimsgb.org.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Phonon Olympics: Phonon property and lattice thermal conductivity benchmarking from open-source packages

Three widely used open-source packages for determining phonon properties and lattice thermal conductivities (ALAMODE, phono3py, and ShengBTE) are benchmarked by teams of expert users and the package developers. The phonons for Ge, RbBr, monolayer MoSe 2 , and AlN are modeled at zero temperature, and they scatter through three-phonon and phonon-isotope processes, with thermal conductivities obtained from the linearized Peierls–Boltzmann transport equation with input from density functional theory calculations. Over a wide range of temperatures, the thermal conductivities calculated by the teams fall within at most ±15% of their mean values for each of the four materials. The phonon frequencies, obtained from the harmonic force constants, do not show large differences between the calculations, indicating that the modal heat capacities and group velocities are not responsible for the thermal conductivity variations. It is the lifetimes associated with three-phonon scattering, obtained from the cubic force constants, that drive the variations. The many decisions required to calculate the cubic force constants (e.g., supercell size, atomic displacement, neighbor cutoff, and application of symmetries) make identification of the precise origin of the thermal conductivity variations challenging. The calculated thermal conductivities do not generally show agreement with experimental measurements, which is attributed to the limitations of the density functional theory calculations. Guidance for the development of best practices is provided, which will help to standardize protocols needed for building thermal conductivity databases. The results provide a baseline for future benchmarking of other packages and more advanced calculations.

McGaughey, Alan J. H. [Carnegie Mellon Univ., Pitt↗
DOE OSTI2016

SU-F-T-667: Development and Validation of Dose Calculation for An Open-Source KV Treatment Planning System for Small Animal Radiotherapy

Purpose: An open-source, convolution/superposition based kV-treatment planning system(TPS) was developed for small animal radiotherapy from previously existed in-house MV-TPS. It is flexible and applicable to both step and shoot and helical tomotherapy treatment delivery. For initial commissioning process, the dose calculation from kV-TPS was compared with measurements and Monte Carlo(MC) simulations. Methods: High resolution, low energy kernels were simulated using EGSnrc user code EDKnrc, which was used as an input in kV-TPS together with MC-simulated x-ray beam spectrum. The Blue Water™ homogeneous phantom (with film inserts) and heterogeneous phantom (with film and TLD inserts) were fabricated. Phantom was placed at 100cm SSD, and was irradiated with 250 kVp beam for 10mins with 1.1cm × 1.1cm open field (at 100cm) created by newly designed binary micro-MLC assembly positioned at 90cm SSD. Gafchromic™ EBT3 film was calibrated in-phantom following AAPM TG-61 guidelines, and were used for measurement at 5 different depths in phantom. Calibrated TLD-100s were obtained from ADCL. EGS and MNCP5 simulation were used to model experimental irradiation set up calculation of dose in phantom. Results: Using the homogeneous phantom, dose difference between film and kV-TPS was calculated: mean(x)=0.9%; maximum difference(MD)=3.1%; standard deviation(σ)=1.1%. Dose difference between MCNP5 and kV-TPS was: x=1.5%; MD=4.6%; σ=1.9%. Dose difference between EGS and kV-TPS was: x=0.8%; MD=1.9%; σ=0.8%. Using the heterogeneous phantom, dose difference between film and kV-TPS was: x=2.6%; MD=3%; σ=1.1%; and dose difference between TLD and kV-TPS was: x=2.9%; MD=6.4%; σ=2.5%. Conclusion: The inhouse, open-source kV-TPS dose calculation system was comparable within 5% of measurements and MC simulations in both homogeneous and heterogeneous phantoms. The dose calculation system of the kV-TPS is validated as a part of initial commissioning process for small animal radiotherapy. The kV-TPS has the potential for accurate dose calculation for any kV treatment or imaging modalities.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

A Survey of Open Source Software Repositories in the U.S. Department of Energy’s National Laboratories

There are 17 national laboratory systems in the United States operating under the auspices of the U.S. Department of Energy (DOE). These government labs employ tens of thousands of people engaging in research software engineering activities across a variety of missions. To support this work, many open source projects are maintained. Further, many of these projects have broad utility to the computing community at large and domain scientists in a variety of fields. However, the complexity and decentralized nature of the laboratory system has resulted in a situation where no one entity even knows about all the open source software projects in this ecosystem, let alone crude metrics of their health. In this article, we do the first external inventory of open source software repositories with a nexus to DOE labs. We posit that a project’s need for sustainability support can be determined by comparing measures of active use to measures of active maintenance.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Open‐Source Anaerobic Digestion Modeling Platform, Anaerobic Digestion Model No. 1 Fast (ADM1F)

An open‐source modeling platform, called Anaerobic Digestion Model No. 1 Fast (ADM1F), is introduced to achieve fast and numerically stable simulations of anaerobic digestion processes. ADM1F is compatible with an iPython interface to facilitate model configuration, simulation, data analysis, and visualization. Faster simulations and more stable results are accomplished by implementing an advanced open‐source library of numerical methods called Portable Extensive Toolkit for Scientific Computation (PETSc) to solve the ADM1 system of equations. Leveraging PETSc, ADM1F can consistently complete a steady‐state simulation under 0.2 s, over 99% faster than a benchmark ADM1 model implemented with MATLAB while achieving agreement of model outputs within 1% of those obtained with the benchmark model. For dynamic simulations, however, ADM1F has a computational speed advantage only when the influent characteristics update more frequently than every 4 h. The ability of ADM1F to be useful as a tool to study anaerobic digestion systems is demonstrated through two example implementations of ADM1F: (1) a two‐phase co‐digestion scenario evaluating the impact of the organic loading rate and the substrate composition on reactor performance and stability, and (2) a conventional digester scenario assessing the effectiveness of recovery strategies after disruptions that led to instability. These examples demonstrate how the high simulation speed and the convenience of the iPython interface allow ADM1F to complete complex analyses within minutes, much faster than computational strategies currently reported in the literature.

anaerobic co-digestion↗
DOE OSTI2021

RAVIS: Resource Forecast and Ramp Visualization for Situational Awareness - An Introduction to the Open-Source Tool and Use Cases

The Resource Forecast and Ramp Visualization for Situational Awareness (RAVIS) is an open-source tool for visualizing variable renewable resource forecasts and ramp alerts for significant up/down ramps in renewable resource and the consequent net-load. The modular dashboard of RAVIS contains configurable panes for viewing- probabilistic time series forecasts, ramp event alerts on the look-ahead timeline, spatially resolved resource sites and forecasts, and system simulation and market clearing data such as transmission lines utilization, nodal prices and available generation flexibility. RAVIS uses a technology suite that is assembled to provide optimum visualization facility while maintaining a wide pool of potential deployment and client environments. The tool is designed to take advantage of web application technologies, open source visualization libraries and tooling. Utilizing this technology will enable deployment in any environment, using any operating system, and is scalable to much higher spatial and temporal scales of visualization. As a prototype of the tool and demonstrating a use case of variable renewable integration, RAVIS currently integrates site-specific solar power forecasts in the California Independent System Operator (CAISO) and Mid-continent ISO (MISO) footprint from the IBM WattSun forecasting platform, and also superimposes market simulation data for CAISO footprint from as in-house NREL market clearing tool. The tool has the ability to alert the viewer for excessive up or down ramps for both individual solar sites as well as regionally aggregated net-load ramps, and alerts can also be qualified with respect to available flexible generation. This report will provide an introduction to the RAVIS tool, and summarize the above mentioned capabilities, typical use cases and possible extensions of the tool. The RAVIS development team believes there are likely to be high economic and reliability benefits of integrating probabilistic forecasts of variable renewables into control center visualizations and improved ramp events situational awareness for system operators and forecasting teams in the ISOs and electric utilities in comparison with their business as usual practices.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2026

ALPHANSO: Open-source modeling of (α, n) neutron source terms

Applications ranging from nuclear safeguards to dark matter detection require accurate predictions of neutron yields and energy spectra produced by (α, n) reactions. Legacy tools like SOURCES-4C remain widely used despite significant limitations, including outdated nuclear data, missing target nuclides, and restricted accessibility. Here, we present ALPHANSO, an open-source Python package for calculating (α, n) neutron source terms. ALPHANSO incorporates modern nuclear data libraries and formats covering all naturally occurring target nuclides and provides a transparent, modular framework for updating or extending the data as new evaluations are released. Comparison with an updated version of SOURCES-4A, NeuCBOT, and experimental measurements across a range of elements and materials shows that ALPHANSO reproduces neutron yields and spectra in good agreement with experimental data and state-of-the-art (α, n) calculations. These results demonstrate that ALPHANSO is a reliable, accessible, and modern alternative to legacy (α, n) source term codes such as SOURCES-4C. Its open-source design and modular data handling make it readily extensible to future evaluated nuclear data and low-background applications.

(α, n) reactions↗
DOE OSTI2024

Development and validation of fully open-source R2S shutdown dose rate capabilities in OpenMC *

We present the first fully open-source capabilities for shutdown dose rate (SDR) calculations of fusion energy facilities based on the Rigorous 2-Step (R2S) methodology. These capabilities have been implemented in the OpenMC Monte Carlo particle transport code, building on its existing capabilities while also leveraging new features that have been added to the code to support SDR calculations, such as decay photon source generation. Each of the individual physics components in the R2S workflow—neutron transport, activation, decay photon source generation, and photon transport—have been verified through code-to-code comparisons with MCNP6.2 and FISPACT-II 4.0. These comparisons generally demonstrate excellent agreement between codes for each of the physics components. The full cell-based R2S workflow was validated by performing a simulation of the first experimental campaign from the Frascati Neutron Generator (FNG) ITER dose rate benchmark problem from the Shielding INtegral Benchmark Archive and Database (SINBAD). For short cooling times, the dose calculated by OpenMC agrees with the experimental measurements within the stated experimental uncertainties. For longer cooling times, an overprediction of the shutdown dose was observed relative to experiment, which is consistent with previous studies in the literature. Altogether, these features constitute a combination of capabilities in a single, open-source codebase to provide the fusion community with a readily-accessible option for SDR calculations and a platform for rapidly analyzing the performance of fusion technology.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Verification and validation of the open-source plasma fluid code: Zapdos

Zapdos is an open-source finite element plasma fluid solver based on the MOOSE multiphysics framework. This paper outlines Zapdos verification, benchmarking, and validation efforts for 1D and 2D RF capacitively coupled plasma discharge models for mid-range pressures (0.1 - 1 Torr). The verification process involved using the method of manufactured solutions to assess Zapdos spatial and temporal error convergence. L2 errors ranged from 10 -2 to 10 -4 , while the convergence’s slope were in agreement with the predicted slopes for the tested variable and time integration orders. The benchmarking process involved comparisons to previously results from the validated finite element code, LSODI. These works included 1D and 2D simulations for a range of plasma parameters (densities, temperatures, voltage, etc.). For the 1D cases, Zapdos and LSODI results were in very good agreement. In the 2D cases, variable behaviors matched, with slight discrepancies in peak values. The validation process involved comparisons to experimental works including electron density measurements by microwave interferometry and metastable density measurements by planar laser-induced fluorescence imaging. Results shown reasonable agreement at higher pressure, with results starting to diverge at low pressures. Furthermore, probable causes for this diverges are the limitation of the fluid assumption for plasmas at low pressure, or the need for more robust boundary conditions. Overall, Zapdos shown reasonable results for the verification, benchmarking, and validation efforts, and Zapdos can be downloaded at https://github.com/shannon-lab/zapdos.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗