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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 433 records · Page 24

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DOE OSTI2023

Topological Guided Detection of Extreme Wind Phenomena: Implications for Wind Energy

Extreme wind phenomena play a crucial role in the efficient operation of wind farms for renewable energy generation. However, existing detection methods are computationally expensive, limited to specific coordinate. In real-world scenarios, understanding the occurrence of these phenomena over a large area is essential. Therefore, there is a significant demand for a fast and accurate approach to forecast such events. In this paper, we propose a novel method for detecting wind phenomena using topological analysis, leveraging the gradient of wind speed or critical points in a topological framework. By extracting topological features from the wind speed profile within a defined region, we employ topological distance to identify extreme wind phenomena. Our results demonstrate the effectiveness of utilizing topological features derived from regional wind speed profiles. We validate our approach using high-resolution simulations with the Weather Research and Forecasting model (WRF) over a month in the US East Coast.

MATHEMATICS AND COMPUTING,WIND ENERGY↗

DOE OSTI2023

Topological Guided Detection of Extreme Wind Phenomena: Implications for Wind Energy: Preprint

MATHEMATICS AND COMPUTING,WIND ENERGY↗

DOE OSTI2025

The Surface-Topography Challenge: A Multi-Laboratory Benchmark Study to Advance the Characterization of Topography

Surface performance is critically influenced by topography in virtually all real-world applications. The current standard practice is to describe topography using one of a few industry-standard parameters. The most commonly reported number is Ra, the average absolute deviation of the height from the mean line (at some, not necessarily known or specified, lateral length scale). However, other parameters, particularly those that are scale-dependent, influence surface and interfacial properties; for example the local surface slope is critical for visual appearance, friction, and wear. The present Surface-Topography Challenge was launched to raise awareness for the need of a multi-scale description, but also to assess the reliability of different metrology techniques. In the resulting international collaborative effort, 153 scientists and engineers from 64 research groups and companies across 20 countries characterized statistically equivalent samples from two different surfaces: a “rough” and a “smooth” surface. The results of the 2088 measurements constitute the most comprehensive surface description ever compiled. We find wide disagreement across measurements and techniques when the lateral scale of the measurement is ignored. Consensus is established through scale-dependent parameters while removing data that violates an established resolution criterion and deviates from the majority measurements at each length scale. Our findings suggest best practices for characterizing and specifying topography. The public release of the accumulated data and presented analyses enables global reuse for further scientific investigation and benchmarking.

42 ENGINEERING↗

DOE OSTI2025

Nanopolysaccharide Builder: A User-Friendly Tool for Atomistic Models of Polysaccharide-Based Nanostructures

Here, we introduce Nanopolysaccharide Builder (NPB), a user-friendly software tool designed to construct polysaccharide nanostructures─mainly those based on cellulose, chitin, and chitosan─using experimental data or user-defined parameters. NPB enables the generation of cellulose and chitin allomorphs with customizable biochemical topologies and also facilitates the construction of large bundles that replicate nanostructures found in biological support systems, including plant cell walls and arthropod cuticles. The software outputs atomic Cartesian coordinates in Protein Data Bank (PDB) format and also provides atom connectivity files in PSF and PARM formats, ensuring seamless integration with major molecular dynamics (MD) engines such as NAMD, CHARMM, GROMACS, AMBER, OpenMM, and LAMMPS. Built on an interactive visualization framework, NPB features a graphical user interface (GUI) and supports both macOS and Linux operating systems. By enabling detailed atomic-scale studies of polysaccharide evolution in extracellular matrices and cell walls of algae, bacteria, fungi, and plants, NPB is poised to advance AI-guided research in sustainable chemical development and biomass utilization.

Wan, Zhangmin [Univ. of British Columbia, Vancouve↗

DOE OSTI2025

X-ray Micro-Computed Tomography for Structural Analysis of All-Solid-State Battery at Pouch Cell Level

Characterizing the microstructure of all-solid-state batteries (ASSBs) during fabrication and operation is vital for their advancement, particularly as scaling to pouch cell levels introduces challenges in probing large-scale microstructural evolution. This work highlights the potential of synchrotron X-ray micro-computed tomography (sXCT) as a nondestructive, rapid (<30 min), and high-resolution technique for visualizing and quantifying key microstructural features, including overhang, porosity, contact loss, active surface area, and tortuosity, in all-solid-state pouch cells. The large field of view (up to millimeters) of sXCT enables detailed analysis at an industry-relevant scale, bridging the gap between laboratory research and commercial applications. Furthermore, integrating realistic sXCT-derived 3D models into multiphysics simulations could provide insights into chemo-mechanical degradation, particularly at the edges of the pouch cells, offering a pathway for designing robust, high-performance ASSBs. This perspective establishes sXCT as an indispensable tool for advancing both the understanding and the engineering of next-generation energy storage systems.

25 ENERGY STORAGE↗

DOE OSTI2020

Fat Crayon Toolkit

The Fat Crayon Toolkit (FCT) provides python modules for assisting in the design and visualization of boreholes and tunnels and their relationship with natural features such as fractures. Distances of closest approach among the boreholes can be calculated, along with other key design metrics. Additionally, the shear propensity of natural fractures (either deterministic or stochastic) can be visualized in either 3D (as VTK files) or in 2D (stereonets). The example provided demonstrates a test bed developed for the Enhanced Geothermal Systems (EGS) Collab project. This material is based upon work supported by the Geothermal Office of the Department of Energy and the Sanford Underground Research Facility and was prepared by LLNL under Contract DE-AC52-07NA27344.

Morris, JosephP.↗

DOE OSTI2020

2019 Quantum Materials Young Investigators Workshop Report

The fourth edition of the workshop “Quantum Materials Young Investigators” was held June 6-7, 2019 at the Oak Ridge National Laboratory (ORNL). This workshop followed up on previous meetings that took place at ORNL starting in 2016. This important series of annual workshops, organized by Adam Aczel and Stuart Calder, ensures continuous engagement with the early career principal investigators (PIs) of the quantum materials neutron scattering community. Through a series of short scientific talks presented by the external PIs, members of the Neutron Scattering Division (NSD) learn about their scientific interests and needs. Presentations from ORNL staff members also help to inform the external PIs about the current state of ORNL’s quantum materials neutron scattering program. Topics covered include the current instrument suites, sample environment, data reduction, visualization, and analysis, and future neutron scattering and complementary capabilities. Feedback is solicited from the external PIs in all these key areas and communicated to NSD management in the form of a workshop report. This workshop series also helps to foster collaborations between NSD scientists and the research groups of the external PIs and plays an important role in attracting new neutron scattering users.

43 PARTICLE ACCELERATORS↗

DOE OSTI2023

K-region tetrasubstituted deep-blue pyrene-based luminogens: Visual detection of trace nitroaniline

In recent years, fluorescence sensors have been widely used in explosive detection due to their portability and high efficiency. Here, in the present work, two K-region tetrasubstituted deep-blue pyrene-based luminogens were designed and synthesized by introducing electron-donating groups. The optical properties were investigated by experimental and density functional theory (DFT) methods. Reasonable luminescence efficiency and electron rich characteristic allowed for the possible detection of nitro-explosives. Both luminogens, especially TFPy, exhibit a sensitive response towards nitroanilines (NA), with a limit of detection (LOD) for p-NA as low as 2.75 × 10 –8 M, which is mainly attributed to the electron-donating substituents on the periphery of the pyrene core and the extended π-conjugated structure. These research results establish a low-cost and simple strategy for the detection of trace nitroaniline.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

UEMtomaton: A Source-Available Platform to Aid in Start-up of Ultrafast Electron Microscopy Labs

The steady rise in the number of ultrafast electron microscopy (UEM) labs, in addition to the opacity and lack of detailed descriptions of current approaches that would enable point-by-point construction, has created an opportunity for sharing common methods and instrumentation for (for example) automating data acquisition to assist in efficient lab start-up and to learn about common and robust protocols. In the spirit of open sharing of methods, we provide here a description of an entry-level method and user interface (UI) for automating UEM experiments, and we provide access to the source code and scripts (source-available) for ease of implementation or as a starting reference point for those entering or seeking to enter the field (https://github.com/CEMSFlannigan/UEMtomaton/releases/tag/v1.0). Core instrumentation and physical connections in the UEM lab at Minnesota are described. Interface communication schemes consisting of duo server-client pairs between critical components – the optical delay stage and the UEM digital camera – are presented, with emphasis placed on describing the logic and communications sequence designed to conduct automated series acquisitions. An application designed and programmed with C++/CLI as Windows Forms in Microsoft Visual Studio – dubbed UEMtomaton – is also presented. Key to the UI layout is centralization of the automation tasks and establishment of communication within the software rather than by interfacing with each individual workstation. It is our hope that this note provides useful insight for current and future UEM researchers, particularly with respect to generalizability and portability of the approach to emerging labs. Here, we note that while this basic, entry-level approach is certainly not the most sophisticated or comprehensive of those currently in use, we feel there is nevertheless value in clearly communicating a proven straightforward method to hopefully lower the barrier to entry into the field.

47 OTHER INSTRUMENTATION↗

DOE OSTI2022

gdess: A framework for evaluating simulated atmospheric CO 2 in Earth System Models

Atmospheric carbon dioxide (CO 2 ) plays a key role in the global carbon cycle and global warming. Climate-carbon feedbacks are often studied and estimated using Earth System Models (ESMs), which couple together multiple model components—including the atmosphere, ocean, terrestrial biosphere, and cryosphere—to jointly simulate mass and energy exchanges within and between these components. Despite tremendous advances, model intercomparisons and benchmarking are aspects of ESMs that warrant further improvement (Fer et al., 2021; Smith et al., 2014). Such benchmarking is critical because comparing the value of state variables in these simulations against observed values provides evidence for appropriately refining model components; moreover, researchers can learn much about Earth system dynamics in the process (Randall et al., 2019). We introduce `gdess` (a.k.a., Greenhouse gas Diagnostics for Earth System Simulations), which parses observational datasets and ESM simulation output, combines them to be in a consistent structure, computes statistical metrics, and generates diagnostic visualizations. In its current incarnation, `gdess` facilitates evaluating a model's ability to reproduce observed temporal and spatial variations of atmospheric CO 2 . The diagnostics implemented modularly in `gdess` support more rapid assessment and improvement of model-simulated global CO 2 sources and sinks associated with land and ocean ecosystem processes. We intend for this set of automated diagnostics to form an extensible, open source framework for future comparisons of simulated and observed concentrations of various greenhouse gases across Earth system models.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

Machine Learning-Based Anomaly Detection for PMT Data Quality Monitoring in the SBN and DUNE

Maintaining high-quality detector data is essential for achieving the scientific objectives of the Short-Baseline Neutrino (SBN) Program at Fermilab. Current data quality monitoring (DQM) procedures rely primarily on threshold-based metrics and manual inspection of detector monitoring plots, making the detection of subtle or gradually developing anomalies both time-consuming and dependent on expert interpretation. This project developed and evaluated a machine-learning workflow for automatically identifying anomalous photomultiplier tube (PMT) channels in the Short-Baseline Near Detector (SBND) using optical-hit amplitude data. A Python-based analysis program was developed to process ROOT files, extract statistical features describing individual PMT amplitude distributions, and generate feature vectors for anomaly detection. These features were used to train an Isolation Forest model using data representing normal detector operation. The trained model was subsequently applied to independent detector runs to identify channels exhibiting statistically unusual behavior relative to the learned reference response. To support expert interpretation, the workflow generated complementary diagnostic products, including anomaly score distributions, normalized amplitude comparisons, decision-tree visualizations, and principal component analysis (PCA) projections. This project demonstrated the feasibility of integrating unsupervised machine learning into detector data-quality monitoring and developed a complete workflow for automated PMT performance assessment to aid expert-driven review. Beyond its technical contributions, the VFP appointment fostered a research collaboration between Aurora University and Fermilab and provided direct workforce development benefits by training the visiting faculty member in detector-scale machine-learning methods that are now being incorporated into undergraduate coursework and research. The methodology developed here provides a foundation for future applications to ProtoDUNE and other liquid argon time projection chamber (LArTPC) detectors, contributing to ongoing efforts to improve detector reliability, reduce manual monitoring requirements, and enable scalable data quality monitoring for future large-scale neutrino experiments, including the Deep Underground Neutrino Experiment (DUNE).

Colón Santana, Juan A. [Unlisted, US, IL]↗

DOE OSTI2020

Analysis of ZTE MRI application to sandstone and carbonate

Micro-tomography (μCT) and nuclear magnetic resonance (NMR) have been used to characterize porous media for decades. Here, Magnetic Resonance Imaging (MRI) enables direct visualization of pore architecture and many pulse sequences exist. In this work, we tested the MRI pulse sequence Zero Echo Time (ZTE) to study sandstone and carbonate for its ability to address short relaxation times. We aimed at resolving two fluid conduit scales, i.e. pores and fractures. In this research, we study tighter porous systems than those previously reported using ZTE. Additionally, Pore Cluster Analysis (PCA), combined with ZTE, can be used to analyze pore-fracture connectivity of relatively large core plugs. We show that ZTE can resolve two-scale pore systems simultaneously, i.e. fractures and pores. By combining Time-Domain NMR pore-size analysis and PCA, we show that careful selection of resolution is necessary to understand transport in porous media.

02 PETROLEUM↗

DOE OSTI2020

Examining Perceptions of Spanish Language Health Information Among Hispanics Living in the United States: A Qualitative Study Assessing Videos, Brochures, and Websites

Background Nationally, Hispanics experience health disparities manifested as a higher prevalence of chronic diseases in comparison to non-Hispanic Whites. Factors that influence health disparities in this population include inadequate dissemination of culturally and linguistically appropriate health information. Method Our qualitative analysis is based on data obtained from three focus groups with Spanish-speaking Hispanic adults conducted at a clinic in Nebraska. Participants were asked about their perceptions of health information in the form of videos, brochures, and websites. We followed the consolidated criteria for reporting qualitative research and used the theoretical framework of content analysis. Results For videos, attributes associated with higher levels of trust included a friendly health professional, the logo or name of a health care institute, and a reference specifying “se habla Español.” For brochures, attributes associated with trust included use of visual aids, use of numerous colors and big font sizes, the year of printing, and a health care agency logo. For websites, characteristics associated with trust were inclusion of plain language, use of pictures and videos, and date of last update. In all focus groups, participants perceived the use of mixed English/Spanish language in health information from pamphlets and websites as unprofessional. The use of unknown governmental logos in health promotional videos and websites was perceived as untrustworthy information. Conclusions Spanish-speaking Hispanics prefer health information supported by a health care agency or delivered by a health care professional. Health communication strategies should avoid the use of mixed English/Spanish language in sensitive information especially when combined with governmental logos.

De Alba Rosales, Armando↗

DOE OSTI2022

Development of a Novel Electrical Characterization Technique for Measuring Hidden Joint Contacts in Weapons Cavities (LDRD Final Report 218470)

This report summarizes research performed in the context of a REHEDS LDRD project that explores methods for measuring electrical properties of vessel joints. These properties, which include contact points and associated contact resistance, are “hidden” in the sense that they are not apparent from a computer-assisted design (CAD) description or visual inspection. As is demonstrated herein, the impact of this project is the development of electromagnetic near-field scanning capabilities that allow weapon cavity joints to be characterized with high spatial and/or temporal resolution. Such scans provide insight on the hidden electrical properties of the joint, allowing more detailed and accurate models of joints to be developed, and ultimately providing higher fidelity shielding effectiveness (SE) predictions. The capability to perform high-resolution temporal scanning of joints under vibration is also explored, using a multitone probing concept, allowing time-varying properties of joints to be characterized and the associated modulation to SE to be quantified.

42 ENGINEERING↗

DOE OSTI2022

Using the Criticality Accident Alarm System modeling capabilities in SCALE [Slides]

The following is a summary of advice for CAAS modeling in SCALE. Refer to the SCALE Criticality Safety and Radiation Shielding training slides or to the SCALE manual for exact syntax. Use a mesh for the fission source that is the most adequate for the problem to solve (coarse/fine). Don’t spend unnecessary resources; simplify the model if it does not impact the final results of interest. Be careful to deactivate secondary fissions in MAVRIC or the calculation may never end. Check that k eff and $\overline{\upsilon}$ calculated results are logical. Between KENO and MAVRIC, cross section libraries, materials, geometry, and mesh grid can be the same or different. Iterative calculations are usually complex problems that need variance reduction. It will be hard to find the best solving parameters in the first attempt; expert judgement is needed. Check each step separately. Use Fulcrum to visualize fission source, mesh source, and spatial/energy distributions to find potential errors or impactful imprecisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Visualizing Comparisons of Bill of Materials

Protecting critical infrastructure from cyber attacks, natural disasters, and other disruptions is a priority of the U.S. Government. Critical infrastructure includes providing electricity to homes and businesses, supplying natural gas for heating, and producing renewable energy sources. A loss of these services, as seen in the Solarwinds supply chain attack in 2020 , Texas snowstorm of 2021, the Colonial Pipeline cyber incident of 2021, and the Washington power substation attacks in 2022 result in high costs to consumers, disruption of everyday life, and even death. To protect the infrastructure, we first have to know what equipment we are protecting. The complexity of distributed manufacturing and development coupled with the increasing prevalence of cyber and supply chain attacks necessitates a greater understanding of the hardware and software components that comprise equipment in critical infrastructure. When a vulnerability in a single software library can have disastrous consequences, it is vital to understand critical equipment and systems at a granular level. This need has led to increased energy around the development and incorporation of bill-of-materials (BOM) into existing asset management practices to aid in mitigating, and responding to future attacks \cite{noauthor_software_nodate}. While much of the current research is devoted to creating BOMs, it is equally important to develop methodologies for leveraging BOMs to answer questions, such as: How has my software changed? Are two pieces of equipment equivalent? Does this piece of equipment that just arrived match my historical information? In this work, we demonstrate how BOMs can be represented by graph structures. We then describe how these structures can be fed into a graph comparison algorithm to produce a novel interactive visualization that allows us to not only identify differences in BOMs, but show exactly where they are in the product.

Jones, Rebecca D.↗

DOE OSTI2023

2022 Quantum Materials Young Investigators Workshop Report

The fifth edition of the workshop “Quantum Materials Young Investigators” was held August 18-19, 2022 at the Oak Ridge National Laboratory (ORNL). This workshop followed up on previous meetings that took place at ORNL starting in 2016. This important series of annual workshops, organized by Adam Aczel and Stuart Calder, ensures continuous engagement with the early career principal investigators (PIs) of the quantum materials neutron scattering community. Through a series of short scientific talks presented by the external PIs, members of the Neutron Scattering Division (NSD) learn about their scientific interests and needs. Presentations from ORNL staff members also help to inform the external PIs about the current state of ORNL’s quantum materials neutron scattering program. Topics covered include neutron scattering instruments, sample environment, neutron polarization, data reduction, visualization, and analysis, and future neutron scattering and complementary capabilities. Feedback is solicited from the external PIs in some or all of these key areas and communicated to NSD management in the form of a workshop report. This workshop series also helps to foster collaborations between NSD scientists and the research groups of the external PIs and plays an important role in attracting new neutron scattering users.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Resilience of Interdependent Water and Power Systems: A Literature Review and Conceptual Modeling Framework

As increasing pressures of population growth and climate change arise, water and power systems (WPS) are becoming increasingly interdependent. This interdependency has resulted in an increased potential for cascading failures, whereby the service interruption of one system can propagate to interdependent ones. This paper makes four contributions. First, we present an extensive literature review in the field of integrated water and power resilience, leveraging both institutional and technical literature research landscapes. We compare various modeling approaches used to model interdependent WPS and discuss the different metrics and definitions that are typically employed to quantify and define resilience. Relevant challenges and gaps related to modeling tools and metrics are also discussed, and appropriate recommendations are made. Second, the paper presents a visualization prototype for interdependent WPS to showcase water and power system interdependencies and reveal co-managed resilience strategies that can be used to improve resilience under different types of common threats. Third, we provide a conceptual decision support framework that simultaneously optimizes a portfolio of co-managed resilience strategies in the face of multiple, uncertain threats and addresses WPS interdependencies. Finally, we present future trends regarding digitalization, integrated planning, collaborative governance, and equity needs for building more resilient WPS.

24 POWER TRANSMISSION AND DISTRIBUTION↗