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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

A new database website for nuclear level densities

We introduce a new open-access, web-based database (http://nld.ascsn.net), Current Archive of Nuclear Density of Levels (CANDL), that hosts experimental nuclear level density (NLD) datasets from a variety of techniques and energy ranges. Built using the Dash framework in Python, the database is designed to be interactive and user-friendly, allowing researchers to search, visualize, fit, and export NLD data with minimal effort. This resource includes data extracted from evaporation spectra, Oslo method variants, and other experimental techniques that cover excitation energies beyond the neutron resonance region. The database supports on-the-fly fitting with two widely-used phenomenological models—the Constant Temperature (CT) model and the Back-Shifted Fermi Gas (BSFG) model—selected for their simplicity and computational efficiency. Future versions aim to include additional datasets and model types, as well as easy-to-use interfaces to data science techniques. Here, this platform offers a vital tool for the nuclear physics, astrophysics, medicine, and reactor design communities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Utilizing HYSPLIT for Emergency Response Modeling at SRS

The threat of a disaster happening at the Savannah River Site (SRS) is low, but not zero. When an emergency arises, emergency responders utilize a variety of tools to detect, track, and mitigate the disaster. HYSPLIT is a community atmospheric dispersion model that is highly configurable and has been used operationally to simulate particle, chemical, and radionuclide releases. We have developed a preliminary user interface (UI) that configures HYSPLIT to run for a variety of Emergency Action Level (EAL) scenarios at SRS. Using a hypothetical EAL scenario of an accidental release of Pu-238 in H-area and K-area onsite, an analysis was done to show how a preliminary UI framework allows HYSPLIT to be run on a terminal without the need form an active network connection. The study was successful in multiple aspects. For the preliminary UI, users were able to input certain characteristics of the hypothetical EAL such as hours of emission (how long was Pu-238 being released), curies of release, release start time (when does the model run start), and type of radionuclide directly into the terminal. For HYSPLIT, the model was successful in being able to take the UI input, calculate the results from the inputs and output multiple figures of both total volumetric airborne concentrations and surface deposition. We used the Pu-238 Derived Intervention Level (DIL) deposition thresholds for produce, dairy, and beef for visualization of the surface deposition, showing how a release would impact ingestion pathways.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2024

Transportation and System Analysis Collaborations in Support of a Federal Consolidated Interim Storage Facility

The U.S. Department of Energy’s Integrated Waste Management (IWM) program under the Office of Nuclear Energy is planning for the future transportation, storage, and eventual disposal of spent nuclear fuel (SNF) and high-level radioactive waste (HLW) from nuclear power plant and waste custodian sites across the United States. To better enable informed decision-making regarding the back end of the nuclear fuel cycle, the IWM program has been sponsoring the development and application of system analysis tools capable of analyzing various options for managing SNF and HLW. With these tools, integrated waste management system (IWMS) architecture analyses are being conducted to support the future deployment of a comprehensive nuclear waste management system that considers all major back-end aspects of the nuclear fuel cycle (i.e., transportation, storage, and disposal). System analyses and assessments typically use these modeling and simulation tools to investigate implications of changes in various assumptions and parameters such as acceptance rates, receipt logic, facility capacities and capabilities, use of standardized canisters, start and stop dates of facilities, etc. The Next Generation System Analysis Model (NGSAM) is an agent-based simulation toolkit that is used for a system-level simulation and analysis focused on SNF management in the United States. NGSAM’s primary purpose is to provide a system analyst with capabilities to model the IWMS and gain insights into SNF and HLW management alternatives including the impact of system choices, associated cost estimates, and development of integrated yet flexible approaches. An analyst using NGSAM can define several factors like the number of storage facilities, capacity at each facility, transportation schedules, shipment rates, and other conditions. IWM is also developing the Stakeholder Tool for Assessing Radioactive Transportation (START). START is a web-based geospatial tool developed to provide the visualization and initial evaluation of transportation options associated with future SNF and HLW shipment planning and operations. This includes characterizing safety, economic, and environmental conditions at and in proximity to shipment origins as well as along prospective transportation routes. Information from the START tool can be presented/shared as maps, graphics, geospatial files, and tabular form to enable easy data representation and export functionality. The system analysis, NGSAM, and START teams have been working closely for several years before formalizing this collaboration. START provides the SNF transportation routing information for use in NGSAM. System analysts use the NGSAM tool to generate results (schedule, costs, infrastructure acquisitions, shipment rates, etc.). Subject-matter experts and system analysts work together to inform how NGSAM should model the waste management system. Specifically, this paper discusses the collaborations between the system analysis, NGSAM, and START teams and their accomplishments over the past year. Some examples of these efforts include calibrating and adding data to the START output files to meet NGSAM needs, gaining a better understanding of START data used in NGSAM as well as how updates in START data could result in an improved NGSAM analysis. Detailed examples of various tasks that have been performed by the team will be discussed in the full paper. Continued efforts in this direction are expected in the coming years.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

An evaluation of the demand response potential of integrated dynamic window and HVAC systems

Demand response (DR) increases the flexibility and reliability of the electricity grid as use of intermittent renewable energy sources increases. HVAC and envelope DR measures present the largest aggregate energy and peak demand savings potential of all commercial building end uses because their net demand savings occur during critical peak demand periods. Controllable envelope measures include switchable electrochromic windows, operable window attachments such as outdoor louvers, roller shades, and awnings, as well as other innovative facade technologies that can modulate both solar heat gain and daylight admission over a broad solar-optical range. This study evaluated the technical potential of DR-enabled dynamic windows to reduce critical peak demand for a prototypical medium office building situated in all 16 U.S. climates. Model predictive control (MPC) algorithms were designed to minimize electricity cost in daylit perimeter office zones through control of an electrochromic window with and without HVAC thermostat setpoint control. Conventional and time-of-use rates were used to shape the degree of DR. Median annual peak demand savings with window and thermostat control across all climate zones were 24.3 kW (4.4 W/m 2 ) per building or 15.9 W/m 2 for non-north perimeter zones. Resource adequacy at the whole building level was estimated to be 13.1 to 43.4 $/kW per year over the 30-year life of the installation. Co-benefits were increased energy efficiency, and reduced electricity cost and emissions. Visual and thermal comfort requirements were met at all times. Dynamic facades controlled by MPC have substantial technical potential for DR across all U.S. climates and warrant serious consideration for inclusion in DR portfolios.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Inversion of coherent surface scattering images via deep learning network

Coherent surface scattering imaging is a powerful tool for imaging a surface/interface of a thin nanostructure deposited on an opaque substrate. A mathematical conversion of an object image from a scattering pattern is essential for coherent surface scattering imaging to visualize structures of specimens. It has been achieved by using phase retrieval algorithms requiring oversampling in scattering patterns and employing alternating projection approaches. It is a computationally challenging and time-consuming process. In this paper, we demonstrate CSSI-NN, which is a deep learning neural network model to predict images of objects from scattering intensities in coherent surface scattering imaging. This model allowing for the instant outcome from scattering patterns would be tremendously beneficial not only for effective experiments but also for data analysis of phase retrieval.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Nonlinear spectral analysis of ion acoustic solitons arising from a streaming charged object using the numerical inverse scattering transform

Observations of nonlinear coherent plasma phenomena in spacecraft and terrestrial experiments often rely on visual identification of solitary modes because nonlinear coherent modes are broadband in a Fourier transform based analysis. We implement an alternative spectral decomposition known as the inverse scattering transform and demonstrate its ability to successfully isolate nonlinear modes on the homogeneous and forced Korteweg–De Vries equation which models these nonlinear modes. We also demonstrate for the first time that this decomposition is useful when forcing is applied. This is because the stable modes generated by localized forcing are similar to the homogeneous solutions where the inverse scattering transform is a rigorous decomposition. This spectral technique is then applied to simulations of ion acoustic waves generated by a 10 mm spherical debris object interacting with the ionospheric plasma orbiting at 2000 km altitude. The algorithm is found to successfully detect the resultant solitons. This demonstrates the feasibility of using this spectral technique as a real time analysis tool for screening spacecraft data for nonlinear solitary modes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Review: knots and other new topological effects in liquid crystals and colloids

Abstract Humankind has been obsessed with knots in religion, culture and daily life for millennia, while physicists like Gauss, Kelvin and Maxwell already involved them in models centuries ago. Nowadays, colloidal particles can be fabricated to have shapes of knots and links with arbitrary complexity. In liquid crystals, closed loops of singular vortex lines can be knotted by using colloidal particles and laser tweezers, as well as by confining nematic fluids into micrometer-sized droplets with complex topology. Knotted and linked colloidal particles induce knots and links of singular defects, which can be interlinked (or not) with colloidal particle knots, revealing the diversity of interactions between topologies of knotted fields and topologically nontrivial surfaces of colloidal objects. Even more diverse knotted structures emerge in nonsingular molecular alignment and magnetization fields in liquid crystals and colloidal ferromagnets. The topological solitons include hopfions, skyrmions, heliknotons, torons and other spatially localized continuous structures, which are classified based on homotopy theory, characterized by integer-valued topological invariants and often contain knotted or linked preimages, nonsingular regions of space corresponding to single points of the order parameter space. A zoo of topological solitons in liquid crystals, colloids and ferromagnets promises new breeds of information displays and a plethora of data storage, electro-optic and photonic applications. Their particle-like collective dynamics echoes coherent motions in active matter, ranging from crowds of people to schools of fish. This review discusses the state of the art in the field, as well as highlights recent developments and open questions in physics of knotted soft matter. We systematically overview knotted field configurations, the allowed transformations between them, their physical stability and how one can use one form of knotted fields to model, create and imprint other forms. The large variety of symmetries accessible to liquid crystals and colloids offer insights into stability, transformation and emergent dynamics of fully nonsingular and singular knotted fields of fundamental and applied importance. The common thread of this review is the ability to experimentally visualize these knots in real space. The review concludes with a discussion of how the studies of knots in liquid crystals and colloids can offer insights into topologically related structures in other branches of physics, with answers to many open questions, as well as how these experimentally observable knots hold a strong potential for providing new inspirations to the mathematical knot theory.

Physics↗
DOE OSTI2020

Imaging transient solidification behavior

Solidification processing offers the first opportunity to control microstructure, properties, and performance in metallic alloy components. Until recently, microstructural evaluations were limited to post-solidification characterization by destructive methods. We review the development of time-resolved, in situimaging techniques capable of capturing solid-liquid interfacial evolution in metallic alloys with high spatial and temporal resolution underdiverse solidification conditions relevant for applications ranging from conventional directional solidification, crystal growth, and casting,to welding and additive manufacturing. These experiments enable direct visualization of transient behaviors that would otherwise remain unknown, uniquely providinginsights into the physics that impact microstructure and defect development and strategies for microstructuralcontrol and defect mitigation. Understanding microstructural evolution and the characteristics that form under various solidification conditions is essential for the development of multiscale, experimentallyinformed predictive modeling. This is highlightedby solidification simulations that utilize in situmeasurements of solidification dynamics from state-of-the-art experimental techniques.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Frameworks, Algorithms, and Scalable Technologies for Mathematics (FASTMath) SciDAC Institute

As computational models scale to larger computers, the rate at which they produce data has far outstripped the same computers ability to write that data and further the file systems ability to store that data. Almost all of the SciDAC applications, but especially those related to fusion solve very large scale PDEs whose scientific output his impacted by this problem. To gain access to dynamics in an exascale simulation that are not identifiable a priori and to make that dynamical data available to machine learning requires fundamental research in the area of in situ data data analytics. Here data analytics includes compression, visualization, uncertainty quantification, and machine learning. This in situ data analytics will enable on-the-fly spatial and temporal compression of solution dynamics, expose that space-time compressed field to machine learning algorithms that have been specialized to work with dynamically evolving data (existing machine learning algorithms treat data sets as static), greatly improving the opportunity for machine learning to provide feedback to the compression, all within an ongoing simulation, without the need to write data to files. The same concepts are also being applied to uncertainty quantification and multi-fidelity modeling which have similar needs for spatial and temporal compression of the ongoing exascale simulation to perform either without the typical, unacceptable writing of data to files.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Flow dynamics and heat transfer in simplified battery energy storage systems with heated battery modules

Large-scale energy storage systems (ESSs) composed of batteries show promise in addressing current energy challenges, but dissipation of generated heat is important. Here, this paper focuses on buoyant convective flows in simplified ESS battery racks. Natural convection is not generally the primary cooling strategy but can be important in abnormal scenarios where there is module overheat or potentially thermal runaway. We use computational fluid dynamics to investigate the flow dynamics and heat transfer mechanisms in a simplified parameterized rack design. Despite its simplicity, this configuration produces many of the relevant features expected in real ESSs without details of module geometry or hardware, allowing broad conclusions independent of manufacture-specific designs. We start by providing visualizations of the flowfield and measurements of entrainment, heat flux, and pressure. To characterize the dependence on the system parameters, we develop an integral-scale analysis of the average temperature equation to highlight the dominant source terms. We use results from this analysis to derive a steady network model composed of simple algebraic expressions to provide first-order predictions of entrainment through the rack. The network model leads to a linear scaling of the Reynolds number based on convective mass flux with respect to the Grashof number based on the heat source. We deduce empirical relationships that relate the heat exchanged between modules using a surface-averaged Nusselt number as a function of the local Reynolds and Rayleigh numbers. Lastly, we investigate how space between the modules and rack in the spanwise direction creates flow bypass, resulting in different flow pathways.

Battery thermal management↗
DOE OSTI2024

Uncertainty quantification for molecular property predictions with graph neural architecture search

Graph Neural Networks (GNNs) have emerged as a prominent class of data-driven methods for molecular property prediction. However, a key limitation of typical GNN models is their inability to quantify uncertainties in the predictions. This capability is crucial for ensuring the trustworthy use and deployment of models in downstream tasks. To that end, we introduce AutoGNNUQ, an automated uncertainty quantification (UQ) approach for molecular property prediction. AutoGNNUQ leverages architecture search to generate an ensemble of high-performing GNNs, enabling the estimation of predictive uncertainties. Our approach employs variance decomposition to separate data (aleatoric) and model (epistemic) uncertainties, providing valuable insights for reducing them. In our computational experiments, we demonstrate that AutoGNNUQ outperforms existing UQ methods in terms of both prediction accuracy and UQ performance on multiple benchmark datasets, and generalizes well to out-of-distribution datasets. Additionally, we utilize t-SNE visualization to explore correlations between molecular features and uncertainty, offering insight for dataset improvement. AutoGNNUQ has broad applicability in domains such as drug discovery and materials science, where accurate uncertainty quantification is crucial for decision-making.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Enhancing synchrotron radiation micro-CT images using deep learning: an application of Noise2Inverse on bone imaging

In bone-imaging research, in situ synchrotron radiation micro-computed tomography (SRµCT) mechanical tests are used to investigate the mechanical properties of bone in relation to its microstructure. Low-dose computed tomography (CT) is used to preserve bone's mechanical properties from radiation damage, though it increases noise. To reduce this noise, the self-supervised deep learning method Noise2Inverse was used on low-dose SRµCT images where segmentation using traditional thresholding techniques was not possible. Simulated-dose datasets were created by sampling projection data at full, one-half, one-third, one-fourth and one-sixth frequencies of an in situ SRµCT mechanical test. After convolutional neural networks were trained, Noise2Inverse performance on all dose simulations was assessed visually and by analyzing bone microstructural features. Visually, high image quality was recovered for each simulated dose. Lacunae volume, lacunae aspect ratio and mineralization distributions shifted slightly in full, one-half and one-third dose network results, but were distorted in one-fourth and one-sixth dose network results. Following this, new models were trained using a larger dataset to determine differences between full dose and one-third dose simulations. Significant changes were found for all parameters of bone microstructure, indicating that a separate validation scan may be necessary to apply this technique for microstructure quantification. Noise present during data acquisition from the testing setup was determined to be the primary source of concern for Noise2Inverse viability. While these limitations exist, incorporating dose calculations and optimal imaging parameters enables self-supervised deep learning methods such as Noise2Inverse to be integrated into existing experiments to decrease radiation dose.

Obata, Yoshihiro (ORCID:0000000303659129)↗
DOE OSTI2022

Documentation on How to Run the NEAMS Workbench GUI on Sawtooth

This document provides guidelines on how to run Moose-based applications from the NEAMS WorkbenchGUI on the HPC platform Sawtooth located at Idaho National Laboratory. The different steps are illustrated with a multi-app example modeling a sodium-cooled fast reactor (SFR) taken from the virtual test bed (VTB) website. The workflow consists of four steps to demonstrate the capabilities of the NEAMS Workbench GUI, that covers log into Sawtooth, editing and validating input files, submission of the job to the queue and visualization of the numerical solution and the geometry. Each step is illustrated with figures in the text, and a demonstration video is also available.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Principles and Options for Designing Battery Energy Storage Zoning Ordinances

Deployment of battery energy storage (BESS) systems, both standalone and as part of hybrid systems paired with generation, has rapidly increased in the United States in recent years as utilities and communities have deployed storage to improve electric grid reliability and act as a cost-effective alternative to larger grid infrastructure. The modular nature of BESS technologies means systems may be built near other existing land uses, creating the potential for conflicts with neighboring landowners that can be managed and mitigated through zoning and permitting requirements established by local jurisdictions. While many cities and counties have adopted ordinances specific to BESS into their local zoning codes, these ordinances vary significantly in their requirements and level of detail. Meanwhile, many other jurisdictions, including those home to proposed or existing BESS projects, lack any specific language related to BESS in their zoning codes. Local planning and zoning officials have limited capacity and may lack the familiarity with BESS technologies needed to develop ordinances or otherwise make reasonable zoning decisions that balance safety, community impacts, and other goals. The resulting uncertainty at the local zoning level has led developers to withdraw projects in some areas and has spurred moratoria or bans on energy storage projects in others. This report intends to provide practical resources for practitioners interested in reasonable and effective local regulation of battery energy storage. It does not present a model zoning ordinance, but rather is intended to complement model ordinances developed by others by providing additional context and analysis regarding the structure of energy storage zoning ordinances and the decision points for local officials. Zoning ordinances at the city, town, and county level across the U.S. were surveyed alongside two template model ordinances to identify common elements and options for regulating the zoning and siting of BESS. Common elements identified and analyzed include definitions and general requirements, including cutoffs or tiers used to apply regulations to different system sizes and the permitted zones where jurisdictions allow BESS to be sited; visual, noise, and aesthetic requirements, including property line setbacks, fencing and visual screening, noise, and lighting requirements; and safety and planning requirements, such as site plans, decommissioning plans or funds, and requirements for access by emergency services. The report also summarizes some of the more unique regulations, including those that place additional restrictions on BESS at the local level.

25 ENERGY STORAGE↗
DOE OSTI2025

Drought adaptation index (DAI) based on BLUP as a selection approach for drought-resilient switchgrass germplasm

This study introduces a Drought Adaptation Index (DAI), derived from Best Linear Unbiased Prediction (BLUP), as a method to assess drought resilience in switchgrass (Panicum virgatum L.). A panel of 404 genotypes was evaluated under drought-stressed (CV) and well-watered (UC) conditions over four consecutive years (2019–2022). BLUP-estimated biomass yields were used to calculate the DAI, which enabled classification of genotypes into four adaptation groups: very well-adapted, well-adapted, adapted, and unadapted. The DAI was compared with conventional drought tolerance indices, including the Stress Susceptibility Index (SSI), Stress Tolerance Index (STI), Geometric Mean Productivity (GMP), and Yield Stability Index (YSI). Correlation analyses demonstrated strong agreement between DAI and these indices, supporting its validity and consistency. Biplot analyses using the Genotype plus Genotype-by-Environment Interaction (GGE) and Additive Main Effects and Multiplicative Interaction (AMMI) models revealed significant genotype-by-environment interactions (GEI) and identified J222.A, J463.A, and J295.A. A as high-performing genotypes, with J222.A exhibiting greater yield stability across treatments and years. Additionally, DAI isoline curves provided a graphical representation of differential genotype performance under drought and control conditions. These visualizations aided in distinguishing genotypes with stable and superior biomass yield across contrasting environments. Overall, the BLUP-based DAI is a robust and practical selection tool that improves the accuracy of identifying drought-resilient, high-yielding switchgrass genotypes. Its integration into breeding programs offers a comprehensive framework for improving biomass productivity and stress adaptation under variable climatic conditions. The application of DAI supports the development of climate-resilient cultivars and contributes to sustainable bioenergy and forage production systems.

BLUP↗
DOE OSTI2021

Model, data, and code for paper "Modeling of streamflow in a 30-kilometer-long reach spanning 5 years using OpenFOAM 5.x"

The data package includes data, model, and code that support the analyses and conclusions in the paper titled “modeling of streamflow in a 30-kilometer-long reach spanning 5 years using OpenFOAM 5.x”. The primary goal of this paper is to demonstrate that key streamflow properties such as water depth, flow velocity, and dynamic pressure in a natural river at 30-kilometer scale over 5 years can be reliably and efficiently modeled using the computational framework presented in this paper. To support the paper, various data types from remote sensing, field observations, and computational models are used. Specific details are described as follows. Firstly, the river bathymetry data was obtained from a Light Detection and Ranging (LiDAR) survey. This data is then converted to a triangulated surface format, STL, for mesh generation in OpenFOAM. The STL data can be found in Model_Setups/BaseCase_2013To2015/constant/triSurface. The OpenFOAM mesh generated using this STL file can be found in constant/polyMesh. Other model setups, boundary and initial conditions can be found in /system and /0.org under folder BaseCase_2013To2015. A similar data structure can also be found in BaseCase_2018To2019 for the simulations during 2018 and 2019. Secondly, the OpenFOAM simulations need the upstream discharge and water depth information at the upstream boundary to drive the model. These data are generated from a one-dimensional hydraulic model and the data can be found under the folder Model_Setups /1D model Mass1 data. The mass1_65.csv and mass1_191.csv files include the results of the 1D model at the model inlet and outlet, respectively. The Matlab source code Mass1ToOFBC20182019.m is used to convert these data into OpenFOAM boundary condition setups.With the above OpenFOAM model, it can generate data for water surface elevation, flow velocity, and dynamic pressure. In this paper, the water surface elevation was measured at 7 locations during different periods between 2011 and 2019. The exact survey locations (see Fig1_SurveyLocations.txt) can be found in folder Fig_1. The variation of water stage over time at the 7 locations can be found in folder /Observation_WSE. The data type include .txt, .csv, .xlsx, and .mat. The .mat data can be loaded by Matlab.We also measured the flow velocities at 12 cross-sections along the river. At each cross-section, we recorded the x, y locations, depth, three velocity components u,v,w. These data are saved to a Matlab format which can be found under folder /Observation_Velocity and /Fig_1. The relative locations of velocity survey locations to the river bathymetry can be found in Figure 1c.The water stage data at the 7 locations from OpenFOAM, 1D, and 2D hydraulic models are also provided to evaluate the long-term performance of 3D models vs 1D/2D models. The water stage data for the 7 locations from OpenFOAM have been saved to .mat format and can be found in /OpenFOAM_WSE. The water stage data from the 1D model are saved in .csv format and can be found in /Mass1_WSE. The water stage from the 2D model is saved as .mat format and can be found in / Mass2_WSEIn addition, the OpenFOAM model outputs the information of hydrostatic and hydrodynamic pressure. They are saved as .mat format under folder /Fig_11/2013_1. As the files are too large, we only uploaded the data for January 2013. The area of different ratio of dynamic pressure to static pressure for all simulation range, i.e., 2013-2015, are saved to .mat format. They can be found in /Fig_11/PA. Further, the data of wall clock time versus the solution time of the OpenFOAM modeling are also saved to .mat format under folder /Fig_13/LogsMat. In summary, the data package contains seven data types, including .txt, .csv, .xlsx, .dat, .stl, .m, and .mat. The former 4 types can be directly open using a text editor or Microsoft Office. The .mat format needs to be read by Matlab. The Matlab source code .m files need to be run with Matlab. The OpenFOAM setups can be visualized in ParaView. The .stl file can be opened in ParaView or Blender. The data in subfolders Fig_1 to Fig_10 and Fig_12 are copied from the aforementioned data folders to generate specific figures for the paper. A readME.txt file is included in each subfolder to further describe how the data in each folder are generated and used to support the paper.Please use the data package's DOI to cite the data package. Please contact yunxiang.chen@pnnl.gov if you need more data related to the paper.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

4D structural changes and pore network model of biomass during pyrolysis

Biochar is an engineered carbon-rich substance used for soil improvement, environmental management, and other diverse applications. To date, the understanding of how biomass affects biochar microstructure has been limited due to the complexity of analysis involved in tracing the changes in the physical structure of biomass as it undergoes thermochemical conversion. In this study, we used synchrotron x-ray micro-tomography to visualize changes in the internal structure of biochar from diverse feedstock (miscanthus straw pellets, wheat straw pellets, oilseed rape straw pellets, and rice husk) during pyrolysis by collecting a sequence of 3D scans at 50 °C intervals during progressive heating from 50 °C to 800 °C. The results show a strong dependence of biochar porosity on feedstock as well as pyrolysis temperature, with observed porosity in the range of 7.41–60.56%. Our results show that the porosity, total surface area, pore volume, and equivalent diameter of the largest pore increases with increasing pyrolysis temperature up to about 550 °C. The most dramatic development of pore structure occurred in the temperature range of 350–450 °C. This understanding is pivotal for optimizing biochar’s properties for specific applications in soil improvement, environmental management, and beyond. By elucidating the nuanced variations in biochar’s physical characteristics across different production temperatures and feedstocks, this research advances the practical application of biochar, offering significant benefits in agricultural, environmental, and engineering contexts.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

FLARE: field line analysis and reconstruction for 3D boundary plasma modeling

The FLARE code is a magnetic mesh generator that is integrated within a suite of tools for the analysis of the magnetic geometry in toroidal fusion devices. A magnetic mesh is constructed from field line segments and permits fast reconstruction of field lines in 3D boundary plasma codes such as EMC3-EIRENE. Both intrinsically non-axisymmetric configurations (stellarators) and those with symmetry breaking perturbations of an axisymmetric equilibrium (tokamaks) are supported. The code itself is written in Modern Fortran with MPI support for parallel computing, and it incorporates object-oriented programming for the definition of the magnetic field and the material surface geometry. Extended derived types for a number of different magnetohydrodynamic equilibrium and plasma response models are implemented. The core element of FLARE is a field line tracer with adaptive step-size control, and this is integrated into tools for the construction of Poincaré maps and invariant manifolds of X-points. A collection of high-level procedures that generate output files for visualization is build on top of that. The analysis modules are build with Python frontends that facilitate customization of tasks and/or scripting of parameter scans.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗