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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 595 records · Page 33

Prime VI

SAND2025-03757O Prime VI is a distribution-of-disease outbreak model calibration code based on variational inference. It accompanies a publication for submission to Statistics in Medicine journal, and the code will be maintained for open-source use on Sandia's GitLab. The software provides methods for calibrating an epidemiological model to measured case-count data for a multitude of correlated spatial regions. The code solves a Bayesian inverse problem for model calibration where the posterior over-model parameters are approximated through a custom implementation of variational inference. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Safta, Cosmin↗

TEAMER: Crossflow Turbine Fairing Geometry Optimization - Report and CFD Modeling Files

The dataset includes computational fluid dynamics (CFD) models and simulation files for crossflow turbines as well as a detailed project report. The report documents the project undertaken by the Ocean Renewable Power Company (ORPC) to design and optimize a modular fairing for the Modular RivGen Marine Hydrokinetic (MHK) turbine, which enhances the efficient deployment and operation of turbine arrays. The project focused on optimizing the hydrodynamic performance of the fairing using CFD, with an emphasis on two key geometric parameters: the fairing's cross-sectional shape and the spacing between the rotor and the fairing. The analysis aimed to maximize net power output while also assessing discretized loading to evaluate ultimate and fatigue loads on the turbine components. The numerical modeling was conducted using both the commercial CFD software Star-CCM+ and the open-source code openFOAM, with the latter utilizing the actuator line library, turbinesFOAM. This dual-code approach was intended to increase confidence in the results and demonstrate the viability of using open-source tools for high-fidelity marine energy modeling. This dataset includes all necessary files for actuator line simulations in openFOAM, as well as 2D blade-resolved CFD results, along with Python and Java scripts for setting up and post-processing simulations.

16 TIDAL AND WAVE POWER↗

Biomass Combustion in a Circulating Fluidized Bed Combustor

Interest in circulating fluidized bed (CFB) boilers as a power generation technology has skyrocketed in recent years because of several advantages this technology offers over conventional boilers, such as increased gas-solid mixing resulting in higher combustion efficiency and the ability to use lower quality fuels. CFB combustors are operated at lower temperatures than conventional thermal power generation combustors, thus reducing NO x emissions. SO 2 emissions are conveniently controlled through the addition of Ca-based sulphur sorbents within the combustor. This report summarizes the current modeling effort on a 50 kW th CFB combustor with a diameter of 10 cm and a height of 5 m; designed, built, and operated at CanmetENERGY in Ottawa, Canada employing the multiphase particle-in-cell (PIC) approach in the open-source Multiphase Flow with Interphase eXchanges (MFiX) Software Suite. The MFiX-PIC model parameters for the simulation are tuned against cold-flow experiments from CanmetENERGY using 9 kg of olivine sand as the inert bed material. It is shown that for the relatively coarse fluid meshes and large parcel sizes necessitated by the scale of the simulation, filter size dependent corrections to the drag law must be incorporated to ensure accuracy of the simulation results. The validated cold flow model is extended to simulate reacting flow with torrefied hardwood as the feedstock and to validate the combustion reaction scheme. The species concentrations at the riser outlet are compared against CanmetENERGY’s experiments and show satisfactory agreement. The simulations demonstrate the ability of MFiX-PIC to accurately capture the physics and chemistry of a circulating fluidized bed combustor at bench scales, which can be further extended to pilot- and industrial-scale systems.

20 FOSSIL-FUELED POWER PLANTS↗

Computational Fluid Dynamics Analysis of a 12 MW Circulating Fluidized Bed Rise

A three-dimensional (3D) two fluid model (TFM) model of the 12 MW circulating fluidized bed (CFB) riser at Chalmers University was developed using the open-source Multiphase Flow with Interphase eXchanges (MFiX) Software Suite. The hydrodynamic behavior of the riser was validated by comparing axial pressure profiles from experimental measurements with the results from the simulations. Under some of the operating conditions where there was no external circulation of solids, the pressure profiles from the simulation matched well with the experimental measurements. For the cases where there was external circulation of solids, the pressure profiles with the monodisperse solid phase modeling underpredicted the solids concentration in the freeboard region. With the inclusion of polydispersity in the model, the predicted pressure profiles agreed well with the experimental measurements. A two-dimensional (2D) model of the riser was used to perform simulations of coal combustion. The predicted flue gas outlet compositions of oxygen and carbon dioxide compared reasonably to experiments. The experiments also reported some concentration of carbon monoxide which was overpredicted in the simulations. Additional experimental data such as axial oxygen concentration profile and pressure profiles were also compared with the experiment. It was observed that the oxygen concentration in the bottom bed from the simulations was higher than in the experiments, which suggested that most of the oxidation reactions occurred in the bottom bed. The concentration of volatiles and char in the simulations was lower in the bottom bed than in the experiments, which suggest that there is not sufficient penetration of the solid phase species into the bed.

20 FOSSIL-FUELED POWER PLANTS↗

Full-Loop Simulation of the Combustion of Biomass in a Circulating Fluidized Bed Combustor

Interest in circulating fluidized bed (CFB) boilers as a power generation technology has skyrocketed in recent years because of several advantages this technology offers over conventional boilers, such as increased gas-solid mixing, which results in higher combustion efficiency, and the ability to use lower rank fuels. CFB combustors are operated at lower temperatures than conventional thermal power generation combustors, thus reducing NO x emissions, while SO 2 emissions can be conveniently controlled through the addition of Ca-based sulfur sorbents within the combustor. This report summarizes the development of a comprehensive computational fluid dynamics (CFD) model for biomass combustion in a 50 kW th CFB combustor employing the multiphase particle-in-cell (PIC) approach in the open-source Multiphase Flow with Interphase eXchanges (MFiX) Software Suite at the U.S. Department of Energy (DOE) National Energy Technology Laboratory (NETL). The experimental combustor was designed, built, and operated at CanmetENERGY, Natural Resources Canada in Ottawa, Canada. This work is the culmination of a multi-year collaboration between NETL and CanmetENERGY. The hydrodynamics in the full loop are validated against cold-flow experiments conducted at CanmetENERGY. To mimic the dense packing in the standpipe in the absence of a collisional model in the MFiX-PIC approach, the ram valve in the return leg is partially closed to obstruct the flow. A combustion reaction scheme was developed that considers the volatiles released by the fuel as a lumped species that fully converts to CO 2 and H 2 O. The so-called enhanced simplified combustion scheme produces an excellent match with experimental data in terms of the species concentrations of CO 2 and O 2 at the outlet and the freeboard, demonstrating the utility of the comprehensive model for a range of flow conditions and operating temperatures. Furthermore, the model can be readily adapted to simulate combustion of a variety of biomass fuels as well as co-fired systems under air and oxy-fuel conditions.

09 BIOMASS FUELS↗

PBjam: A Python Package for Automating Asteroseismology of Solar-like Oscillators

Asteroseismology is an exceptional tool for studying stars using the properties of observed modes of oscillation. So far the process of performing an asteroseismic analysis of a star has remained somewhat esoteric and inaccessible to nonexperts. In this software paper we describe PBjam, an open-source Python package for analyzing the frequency spectra of solar-like oscillators in a simple but principled and automated way. The aim of PBjam is to provide a set of easy-to-use tools to extract information about the radial and quadropole oscillations in stars that oscillate like the Sun, which may then be used to infer bulk properties such as stellar mass, radius, age, or even structure. Asteroseismology and its data analysis methods are becoming increasingly important as space-based photometric observatories are producing a wealth of new data, allowing asteroseismology to be applied in a wide range of contexts such as exoplanet, stellar structure and evolution, and Galactic population studies.

79 ASTRONOMY AND ASTROPHYSICS↗

Numerical Modelling of a Two-Body Point Absorber Featuring Variable Geometry

This work presents a novel wave energy converter (WEC) device concept that incorporates variable geometry modules into a two-body point absorber type WEC. The variable geometry modules consist of air inflatable bags in the surface float and a water inflatable ring in the reaction body. The variable geometry floats are able to provide greater control over the device hydrodynamics; they can be inflated or deflated to emphasize either power absorption or load shedding. The device geometry is controlled in a quasi-static fashion, while the power take-off (PTO) unit is controlled on a wave-to-wave timescale. The surface float is tethered directly to the submerged reaction body through PTO tether lines. A linear time-domain analysis, conducted using open-source Wave Energy Converter (WEC-Sim) software, was used to estimate the absorbed power of the WEC in sea states defined by the Wave Energy Prize. WEC power performance was weighted against the expected capital cost of building the load bearing structure of the device, providing an estimated ACE value. The inclusion of the variable geometry modules was shown to be effective in altering the device geometry to improve power capture with a near proportional increase in expected costs, providing a nearly constant power-to-cost ratio.

cost of energy↗

An Accelerated Clip Algorithm for Unstructured Meshes: A Batch-Driven Approach

The clip technique is a popular method for visualizing complex structures and phenomena within 3D unstructured meshes. Meshes can be clipped by specifying a scalar isovalue to produce an output unstructured mesh with its external surface as the isovalue. Similar to isocontouring, the clipping process relies on scalar data associated with the mesh points, including scalar data generated by implicit functions such as planes, boxes, and spheres, which facilitates the visualization of results interior to the grid. In this paper, we introduce a novel batch-driven parallel algorithm based on a sequential clip algorithm designed for high-quality results in partial volume extraction. Our algorithm comprises five passes, each progressively processing data to generate the resulting clipped unstructured mesh. The novelty lies in the use of fixed-size batches of points and cells, which enable rapid workload trimming and parallel processing, leading to a significantly improved memory footprint and run-time performance compared to the original version. On a 32-core CPU, the proposed batch-driven parallel algorithm demonstrates a run-time speed-up of up to 32.6x and a memory footprint reduction of up to 4.37x compared to the existing sequential algorithm. The software is currently available under an open-source license in the VTK visualization system.

Tsalikis, Spiros↗

Generalizable Web User Interface for Scalable and Streamlined Deployment of Building Energy Management Systems in Small and Medium-Sized Commercial Buildings

Small and medium-sized commercial buildings (SMCBs) comprise 94% of US commercial buildings yet face significant barriers to implementing building energy management systems despite advances in smart device technology. Existing solutions present critical limitations: cloud-based API solutions simplify deployment but create vendor lock-in constraints; commercial integrated software solutions ensure compatibility via standardized protocols but require substantial cost and technical expertise; open-source IoT platforms offer cost-effective vendor independence but provide insufficient standardized protocol support for commercial building automation. This research presents a generalizable web user interface framework that bridges the gap between evolving smart device capabilities and lagging software infrastructure for SMCBs. The proposed system integrates VOLTTRON open-source middleware with an automated configuration converter that transforms unified specifications written in YAML, a human-readable data-serialization format, into system-specific files, streamlining manual setup processes. The vendor-agnostic architecture supports industry-standard protocols (BACnet and Modbus) and semantic building models while providing adaptive web interfaces that dynamically adjust to various building configurations. Demonstrations through simulation-based testing and a field deployment show automatic interface adaptation across heterogeneous HVAC systems and multizone monitoring. The automated configuration converter also substantially reduces labor-intensive setup.

Chung, Jihoon [ORNL] (ORCID:0000000184880815)↗

Machine learning tools for epigenetics

The software provides machine learning analysis and visualization to detect patterns in epigenetic data, including conventional machine learning and statistical methods, and open-source packages like pyBigWig (https://github.com/deeptools/pyBigWig) for data processing. The software is written in python, it uses some python libraries.

Kim, Anastasiia↗

Fortran Compiler Test Suite v0.1.0

There is no currently available, open-source, easily adapted test suite for checking a compiler's conformance to the Fortran Standard. The main innovation of this software is in the framework to make the test suite apply to a new compiler. Making it open-source will enable community contributions of the test cases. Single organization construction of a comprehensive test suite is something that would be financially infeasible.

Richardson, Bradley↗

VotE-Dams: a compilation of global dams' locations and attributes (v1)

This dataset represents a compilation of two global and three USA-specific datasets of dam locations and their attributes. The major hurdle toward developing this compilation was the identification of duplicates within the source datasets, especially given the variable precision of dam location coordinates. The most immediately-useful product in this dataset is a spreadsheet (VotE-Dams_v1.csv) that documents the unique dams found across the datasets, their coordinates, and their ids within the respective source datasets. We do not reproduce the source datasets (GRaND, GOODD, GeoDAR, NID, and EHA) here, but their download locations are provided in the README files ('Overview' tab). Some of the source datasets are provided as shapefiles, which require geospatial data software to open (e.g. QGIS/ArcGIS for graphical display, geopandas for Python, rgdal for R, many others freely available). The provided README documents metadata of the source datasets and provides attribute-linking information (i.e. matches attributes among various source datasets that contain the same, or similar, information but have different names). Note that the README is provided as both .xslx and a collection of .csvs (one per tab in the .xslx file). We suggest using the .xlsx version that preserves images, formatting, and sheets. .xlsx files can be viewed using (free) Google Docs or Microsoft Excel.Finally, we provide Technical Documentation.pdf that describes the procedures used to identify unique and duplicate dams.The title of this dataset refers to our 'Veins of the Earth' (VotE) project, which seeks to provide a flexible, scale-free representation of the Earth's river networks. Dams are a critical component of VotE as they heavily influence flows throughout river networks.

54 ENVIRONMENTAL SCIENCES↗

Pele: An Exascale-Ready Suite of Combustion Codes

High fidelity simulations of realistic combustion devices are extremely demanding computationally because of the requirements to capture complex fuel chemical decomposition, its intricate interactions with turbulent, often multiphase, flows, and the wide separation of space and time scales between the thin flame and the device boundaries. Software required to carry out such computations tends to be extremely complex, particularly when designed to exploit hardware accelerators, and can be difficult to port and maintain. We present Pele, a performance portable suite of tools for the simulation of combustion systems, including codes to evolve reactive multiphase configurations in the low Mach number and compressible flow regimes, along with a set of inter-compatible post processing and in situ analysis tools. The Pele suite of tools is built on top of the AMReX framework for block-structured adaptive mesh refinement, which provides efficient data structures and algorithms that enable the development of a wide variety of efficient mesh and particle based PDE integration schemes. A hierarchical MPI+X parallelism scheme supports CPU-only and accelerated architectures, where X can be OpenMP, CUDA, and HIP based approaches for intra-node computational work distribution. The algorithms and data structures underlying the Pele simulation and analysis tools are highly scalable and performant across a wide variety of high-performance computing platforms, including DOEs newest exascale-class machines, Frontier and Aurora. The simulation and analysis tools are fully documented and freely distributed as open source via GitHub. We present key algorithmic and software challenges, solution strategies, performance and resulting set of capabilities.

AMReX↗

PlantCV v4: Image analysis software for high‐throughput plant phenotyping

PlantCV is an open-source Python project aimed at developing tools to address a range of image-based, plant phenotyping questions. PlantCV has been used for more than 10 years to automate trait collection from image data, and the newest release, PlantCV version 4, continues to lower the barrier to entry for users without substantial coding experience through extensive example use-case tutorials and simplified installation. In addition to usability, we document added functionality since the release of PlantCV v2, including support for more image types such as fluorescence, thermal, and hyperspectral data. Finally, we describe the development of a new subpackage focused on morphological trait measurements like leaf angle, and demonstrate its utility as compared to more manual methods of data collection.

Schuhl, Haley [Donald Danforth Plant Science Cente↗

LANL contribution to ryujin, an open source finite element solver

Ryujin (https://github.com/conservation-laws/ryujin) is a high-performance finite-element software for solving mathematical partial differential equations (PDEs) with dominant hyperbolic structures. The author of this request, Eric Tovar, is using Ryujin as a high-performance tool for his Mark Kac postdoctoral fellowship research at LANL. Eric would like to contribute openly to the ryujin software without changing its core functionality. This includes: (i) bug fixes; (ii) re-organization of code for performance and syntactic updates including documentation; (iii) implementation of new PDE numerical methods that align with the core solver; (iv) implementation of new initial state configurations for target applications.

Tovar, Eric↗

Reducing the computational burden of a microgrid energy management system

As renewable technology advances and decreases in cost, microgrids are becoming an appealing means of distributed generation both for isolated communities and integrated with existing electrical grid systems. Due to their small size, however, microgrids may have financial limitations which preclude them from using commercial software to optimize control of their assets. Open-source optimization solvers are a viable alternative, but increase computation time. This work expands on a rolling horizon optimization framework for economic dispatch within an existing residential microgrid located in Hoover, Alabama. The microgrid has an open-source solver requirement and a need for quick solution time on a rolling horizon as opposed to a day-ahead commitment. We present a method of reducing integer variables by relaxation which completes two goals: reduction in computation time for real-time operations, and reduction in daily operational cost for the microgrid. Seasonal data for load and photovoltaic (PV) power was also collected from the microgrid to facilitate simulation testing. Computation time was successfully reduced using multiple variations of the relaxation method, while obtaining solution quality with operational cost similar to or better than the original model.

24 POWER TRANSMISSION AND DISTRIBUTION↗

SootLib: A soot model library for combustion simulation

Soot formation in combustion is an important process that affects radiative heat transfer, flame temperatures, and emissions with health and environmental impacts. Soot formation involves complex chemistry for nucleation, growth, oxidation, and coagulation processes. The soot particles vary widely in size and accurate modeling requires representation of the particle size distribution (PSD). Modeling soot is not trivial, and is only one of several physical processes active in combustion systems. This paper presents a software package called SootLib, which is an open-source library for modeling soot formation and other aerosol systems. SootLib is written in C++, is documented with Doxygen, and is available on GitHub. The library includes several models for soot chemistry and coagulation, and it represents the PSD using either a sectional model or the method of moments (MOM). Four closure approaches for the MOM are implemented allowing up to eight moments: monodispersed, an assumed-shape lognormal distribution, the quadrature method of moments, and the method of moments with interpolative closure. SootLib provides an interface for inclusion in other combustion packages including CFD or reacting flow solvers. The range of models allows comparisons and sensitivity studies, and the modularity facilitates extension to other soot models.

97 MATHEMATICS AND COMPUTING↗