SEARCH · Search NASA

Results for “Visual Analytics”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 613 records · Page 34

All sources NASA NTRS DOE OSTI

DOE OSTI2022

An Alternative Timing and Synchronization Approach for Situational Awareness and Predictive Analytics

Accurate and synchronized timing information is required by power system operators for controlling the grid infrastructure (relays, Phasor Measurement Units (PMUs), etc.) and determining asset positions. Satellite-based global positioning system (GPS) is the primary source of timing information. However, GPS disruptions today (both intentional and unintentional) can significantly compromise the reliability and security of our electric grids. A robust alternate source for accurate timing is critical to serve both as a deterrent against malicious attacks and as a redundant system in enhancing the resilience against extreme events that could disrupt the GPS network. To achieve this, we rely on the highly accurate, terrestrial atomic clock-based network for alternative timing and synchronization. In this paper, we discuss an experimental setup for an alternative timing approach. The data obtained from this experimental setup is continuously monitored and analyzed using various time deviation metrics. We also use these metrics to compute deviations of our clock with respect to the National Institute of Standards and Technologys (NIST) GPS data. The results obtained from these metric computations are elaborately discussed. Finally, we discuss the integration of the procedures involved, like real-time data ingestion, metric computation, and result visualization, in a novel microservices-based architecture for situational awareness.

Chinthavali, Supriya↗

DOE OSTI2020

Building Electron/Proton Nanohighways for Full Utilization of Water Splitting Catalysts

Low electron/proton conductivities of electrochemical catalysts, especially earth-abundant nonprecious metal catalysts, severely limit their ability to satisfy the triple-phase boundary (TPB) theory, resulting in extremely low catalyst utilization and insufficient efficiency in energy devices. In this study, an innovative electrode design strategy is proposed to build electron/proton transport nanohighways to ensure that the whole electrode meets the TPB, therefore significantly promoting enhance oxygen evolution reactions and catalyst utilizations. It is discovered that easily accessible/tunable mesoporous Au nanolayers (AuNLs) not only increase the electrode conductivity by more than 4000 times but also enable the proton transport through straight mesopores within the Debye length. The catalyst layer design with AuNLs and ultralow catalyst loading (≈0.1 mg cm -2 ) augments reaction sites from 1D to 2D, resulting in an 18-fold improvement in mass activities. Furthermore, using microscale visualization and unique coplanar-electrode electrolyzers, the relationship between the conductivity and the reaction site is revealed, allowing for the discovery of the conductivity-determining and Debye-length-determining regions for water splitting. These findings and strategies provide a novel electrode design (catalyst layer + functional sublayer + ion exchange membrane) with a sufficient electron/proton transport path for high-efficiency electrochemical energy conversion devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Geometric imaging of borophene polymorphs with functionalized probes

A common characteristic of borophene polymorphs is the presence of hollow hexagons (HHs) in an otherwise triangular lattice. The vast number of possible HH arrangements underlies the polymorphic nature of borophene, and necessitates direct HH imaging to definitively identify its atomic structure. While borophene has been imaged with scanning tunneling microscopy using conventional metal probes, the convolution of topographic and electronic features hinders unambiguous identification of the atomic lattice. Here, we overcome these limitations by employing CO-functionalized atomic force microscopy to visualize structures corresponding to boron-boron covalent bonds. Additionally, we show that CO-functionalized scanning tunneling microscopy is an equivalent and more accessible technique for HH imaging, confirming the v1/5 and v1/6 borophene models as unifying structures for all observed phases. Using this methodology, a borophene phase diagram is assembled, including a transition from rotationally commensurate to incommensurate phases at high growth temperatures, thus corroborating the chemically discrete nature of borophene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

The Conventional Gas Diffusion Electrode May Not Be Resistant to Flooding during CO 2 /CO Reduction

The electrochemical CO 2 or CO reduction to chemicals and fuels using renewable energy is a promising way to reduce anthropogenic carbon emissions. The gas diffusion electrode (GDE) design enables low-carbon manufacturing of target products at a current density (e.g., 500 mA cm –2 ) relevant to industrial requirements. However, the long-term stability of the GDE is restricted by poor water management and flooding, resulting in a significant hydrogen evolution reaction (HER) within almost an hour. The optimization of water management in the GDE demands a thorough understanding of the role of the gas diffusion layer (GDL) and the catalyst layer (CL) distinctively. In this work, the hydrophobicity of the GDL and CL is independently adjusted to investigate their influence on gas transport efficiency and water management. The gas transport efficiency is more enhanced with the increase in hydrophobicity of the GDL than the CL. Direct visualization of water distribution by optical microscope and micro-computed tomography demonstrates that the water flow pattern transfers from the stable displacement to capillary fingering as GDL hydrophobicity increases. Unfortunately, only increasing the hydrophobicity is not sufficient to prevent flooding. A revolutionary change in the design of the GDE structure is essential to maintain the long-term stability of CO 2 /CO reduction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Ultrathin platinum nanowire based electrodes for high-efficiency hydrogen generation in practical electrolyzer cells

Significant reduction of noble metal catalyst loading and simplification of electrode fabrication are urgently needed in order to lower the cost of proton exchange membrane electrolyzer cells (PEMECs) for large-scale hydrogen production. Herein, we report an integrated electrode design comprising in-situ grown platinum nanowires (PtNW) on ultrathin titanium liquid/gas diffusion layers (LGDLs) via a cost-effective and green chemical synthesis approach. The ultrathin integrated PtNW electrodes showed a low cell voltage of 1.643 V and high efficiency of 90.08% at 1000 mA cm -2 using about 15 times lower catalyst loadings than a conventional catalyst-coated membrane in PEMEC tests. Ex-situ electrochemical characterizations and microscale visualizations further reveal that PtNW electrodes display highly efficient hydrogen evolution reactions and excellent electrode durability due to high active surface area, favorable bubble detachment, and structural stability. This work provides new insights into catalyst layer design and facile ultrathin electrode fabrication for more compact and low-cost PEM electrolyzers, fuel cells and other systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2018

Computer-aided discovery of a metal–organic framework with superior oxygen uptake

Current advances in materials science have resulted in the rapid emergence of thousands of functional adsorbent materials in recent years. This clearly creates multiple opportunities for their potential application, but it also creates the following challenge: how does one identify the most promising structures, among the thousands of possibilities, for a particular application? Here, we present a case of computer-aided material discovery, in which we complete the full cycle from computational screening of metal–organic framework materials for oxygen storage, to identification, synthesis and measurement of oxygen adsorption in the top-ranked structure. We introduce an interactive visualization concept to analyze over 1000 unique structure–property plots in five dimensions and delimit the relationships between structural properties and oxygen adsorption performance at different pressures for 2932 already-synthesized structures. We also report a world-record holding material for oxygen storage, UMCM-152, which delivers 22.5% more oxygen than the best known material to date, to the best of our knowledge.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Tracking Restoration And Closure (TRAC): Status Update on Story Maps for Communicating Site Cleanup and Closure Status - 19033

The U.S. Department of Energy (DOE) Office of Environmental Management (EM) initiated the development of a customized, web-based mapping tool for communicating technical information on groundwater plumes at sites within the EM complex. Although the online tool was initially conceived to be a simple conversion of a paper report on contaminant plume sizes, remedial approaches, and regulatory status, it has advanced to providing specific information on cleanup status and site closure. The story maps provide robust geospatial visualization of plumes at DOE sites, as well as explanatory text, photographs, and video for an entire site, or for a management unit within the site. This collection of story maps is called TRAC (Tracking Restoration And Closure), and not only communicates information for each individual site, but also summarizes pertinent metrics on cleanup and remaining contaminants across all EM sites. TRAC is focused on communicating cleanup status, technical challenges, and needs for site closure, with a key challenge of transforming data into relevant, easily understood information. Although DOE managers are the target audience, the story maps can also be used to contribute to public understanding of groundwater cleanup progress at EM sites. Unlike the data access tools maintained at some EM sites (e.g., Hanford, Portsmouth, and Paducah), TRAC is neither a portal for data downloads, nor a tool for performing data analytics. Rather, the goal of TRAC is to provide relevant information on cleanup progress and closure that is consistent across all sites, allowing the user to view summary information across all sites, or examine information relevant to a particular site. This information sharing is needed to maintain open communications with interested parties and communicate efforts that ensure long-term protection of human health and the environment. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2016

Dynamical observation and detailed description of catalysts under strong metal–support interaction

Understanding the structures of catalysts under realistic conditions with atomic precision is crucial to design better materials for challenging transformations. Under reducing conditions, certain reducible supports migrate onto supported metallic particles and create strong metal–support states that drastically change the reactivity of the systems. The details of this process are still unclear and preclude its thorough exploitation. Here, we report an atomic description of a palladium/titania (Pd/TiO 2 ) system by combining state-of-the-art in situ transmission electron microscopy and density functional theory (DFT) calculations with structurally defined materials, in which we visualize the formation of the overlayers at the atomic scale under atmospheric pressure and high temperature. We show that an amorphous reduced titania layer is formed at low temperatures, and that crystallization of the layer into either mono- or bilayer structures is dictated by the reaction environment and predicted by theory. Moreover, it occurs in combination with a dramatic reshaping of the metallic surface facets.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Sparse Symmetric Format for Tucker Decomposition

Tensor-based methods are receiving renewed attention in recent years due to their prevalence in diverse real-world applications. There is considerable literature on tensor representations and algorithms for tensor decompositions, both for dense and sparse tensors. Many applications in hypergraph analytics, machine learning, psychometry, and signal processing result in tensors that are both sparse and symmetric, making them an important class for further study. Similar to the critical Tensor Times Matrix chain operation (TTM c ) in general sparse tensors, the $\underline{S}$ parse $\underline{S}$ ymmetric $\underline{T}$ ensor $\underline{T}$ imes $\underline{S}$ ame $\underline{M}$ atrix $\underline{c}$ hain (S 3 TTM c ) operation is compute and memory intensive due to high tensor order and the associated factorial explosion in the number of non-zeros. We present the novel Compressed Sparse Symmetric (CSS) format for sparse symmetric tensors, along with an efficient parallel algorithm for the S 3 TTM c operation. We theoretically establish that S 3 TTM c on CSS achieves a better memory versus run-time trade-off compared to state-of-the-art implementations, and visualize the variation of the performance gap over the parameter space. We demonstrate experimental findings that confirm these results and achieve up to 2.72× speedup on synthetic and real datasets. The scaling of the algorithm on different test architectures is also showcased to highlight the effect of machine characteristics on algorithm performance.

42 ENGINEERING↗

DOE OSTI2022

Detecting Cage Crossing and Filling Clusters of Magnesium and Carbon Atoms in Zeolite SSZ-13 with Atom Probe Tomography

The conversion of methanol to valuable hydrocarbon molecules is of great commercial interest, as the process serves as a sustainable alternative for the production of, for instance, the base chemicals for plastics. The reaction is catalyzed by zeolite materials. By the introduction of magnesium as a cationic metal, the properties of the zeolite, and thereby the catalytic performance, are changed. With atom probe tomography (APT), nanoscale relations within zeolite materials can be revealed: i.e., crucial information for a fundamental mechanistic understanding. We show that magnesium forms clusters within the cages of zeolite SSZ-13, while the framework elements are homogeneously distributed. These clusters of just a few nanometers were analyzed and visualized in 3-D. Magnesium atoms seem to initially be directed to the aluminum sites, after which they aggregate and fill one or two cages in the zeolite SSZ-13 structure. The presence of magnesium in zeolite SSZ-13 increases the lifetime as well as the propylene selectivity. By using operando UV–vis spectroscopy and X-ray diffraction techniques, we are able to show that these findings are related to the suppression of aromatic intermediate products, while maintaining the formation of polyaromatic compounds. Further nanoscale analysis of the spent catalysts showed indications of magnesium redistribution after catalysis. Unlike zeolite H-SSZ-13, for which only a homogeneous distribution of carbon was found, carbon can be either homogeneously or heterogeneously distributed within zeolite Mg-SSZ-13 crystals as the magnesium decreases the coking rate. Carbon clusters were isolated, visualized, and analyzed and were assumed to be polyaromatic compounds. Small one-cage-filling polyaromatic compounds were identified; furthermore, large-cage-crossing aromatic molecules were found by isolating large coke clusters, demonstrating the unique coking mechanism in zeolite SSZ-13. Short-length-scale evidence for the formation of polyaromatic compounds at acid sites is discovered, as clear nanoscale relations between aluminum and carbon atoms exist.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

In situ nanoscale imaging of moiré superlattices in twisted van der Waals heterostructures

Abstract Direct visualization of nanometer-scale properties of moiré superlattices in van der Waals heterostructure devices is a critically needed diagnostic tool for study of the electronic and optical phenomena induced by the periodic variation of atomic structure in these complex systems. Conventional imaging methods are destructive and insensitive to the buried device geometries, preventing practical inspection. Here we report a versatile scanning probe microscopy employing infrared light for imaging moiré superlattices of twisted bilayers graphene encapsulated by hexagonal boron nitride. We map the pattern using the scattering dynamics of phonon polaritons launched in hexagonal boron nitride capping layers via its interaction with the buried moiré superlattices. We explore the origin of the double-line features imaged and show the mechanism of the underlying effective phase change of the phonon polariton reflectance at domain walls. The nano-imaging tool developed provides a non-destructive analytical approach to elucidate the complex physics of moiré engineered heterostructures.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2025

A Finite Element Method for Compressible and Turbulent Multiphase Flow Instabilities with Heat Transfer

We present a new finite element framework for modeling compressible, turbulent multiphase flows with heat transfer. For two-fluid systems with a free surface, the Volume of Fluid (VOF) method is implemented without the need for interface reconstruction, while turbulence is resolved using a dynamic Vreman large eddy simulation (LES) model. Unlike most two-phase VOF studies, which neglect heat transfer, the present approach incorporates energy transport equations within the VOF formulation to account for heat exchange, an effect particularly important in turbulent flows. Conjugate heat transfer is often challenging in finite volume methods, which require explicit specification of heat fluxes at the solid–fluid interface, limiting accuracy and predictive capability. By contrast, the finite element formulation does not require heat flux inputs, allowing more accurate and robust simulation of heat transfer between solids and fluids. The method is demonstrated through three representative cases. First, a two-fluid instability with a single-mode perturbation is simulated and validated against analytical growth rates. Second, conjugate heat transfer is examined in a high-temperature flow over a cold metal cylinder, with validation performed both quantitatively—via pressure coefficient comparisons with experimental data—and qualitatively using vector field topology. Finally, compressible spray injection and breakup are modeled, demonstrating the ability of the framework to capture interfacial dynamics and atomization under turbulent, high-speed conditions. In the compressible spray injection and breakup case, the results indicate that the finite element formulation achieved higher predictive accuracy and robustness than the finite-volume method. With the same mesh resolution, the FEM reduced the root mean square error (RMSE) and mean absolute percentage error (MAPE) from 6.96 mm and 26.0% (for the FVM) to 4.85 mm and 12.7%, respectively, demonstrating improved accuracy and robustness in capturing interfacial dynamics and heat transfer. The study also introduced vector field topology to visualize and interpret coherent flow structures and instabilities, offering insights beyond conventional scalar-field analyses.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

Repulsive tip tilting as the dominant mechanism for hydrogen bond-like features in atomic force microscopy imaging

Experimental atomic force microscopy (AFM) studies have reported distinct features in regions with little electron density for various organic systems. These unexpected features have been proposed to be a direct visualization of intermolecular hydrogen bonding. Here, we apply a computational method using ab initio real-space pseudopotentials along with a scheme to account for tip tilting to simulate AFM images of the 8-hydroxyquinoline dimer and related systems to develop an understanding of the imaging mechanism for hydrogen bonds. We find that contrast for the observed “hydrogen bond” feature comes not from the electrostatic character of the bonds themselves but rather from repulsive tip tilting induced by neighboring electron-rich atoms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Extraction and Analysis of Time Series Data from Building Automation Systems Using Large Language Models

Semantic schemas like Haystack 4, Brick and ASHRAE standard 223 enable the structured, standardized, and machine-readable representation of building data, facilitating interoperability, data integration, and advanced analytics. However, extracting information from these models requires specialized expertise in SPARQL and other programming languages, skills that are not commonly found among building professionals. Recent advancements in Large Language Models (LLMs), such as ChatGPT, enable the construction of queries using natural language, making it easier for individuals to interact with these systems in a manner that resembles everyday speech. However, these methods have not yet been tested on building semantic ontologies. This paper introduces a novel workflow and tool for enabling users to ask questions about a specific building's data, using natural language and receive answers automatically generated by GPT-4o. Our approach integrates semantic ontologies with advanced LLM capabilities to automate three critical steps: (1) generating SPARQL queries to retrieve time series references from ontological models, (2) extracting the corresponding time series data from the Building Automation System, and (3) performing computations and visualizations tailored to the user's query. The proposed method simplifies access to BAS data, allowing both domain experts and non-specialists to conduct sophisticated analyses without needing extensive technical knowledge of semantic web technologies. By demonstrating this pipeline, we facilitate more accessible and scalable data-driven decision-making in building operations and management.

Mulayim, Ozan Baris↗

DOE OSTI2025

Extraction and Analysis of Time Series Data from Building Automation Systems Using Large Language Models

Mulayim, Ozan Baris↗

DOE OSTI2021

A Multi-modal Approach to Understanding Degradation of Organic Photovoltaic Materials

State-of-the-art organic photovoltaic (OPV) materials are composed of complex, chemically diverse polymeric and molecular structures that form highly intricate solid-state interactions, collectively yielding exceptional tunability in performance and aesthetics. These properties are especially attractive for semitransparent power-generating windows or shades in living environments, greenhouses, or other architectural integrations. However, before such a future is realized, a broader and deeper understanding of property stability must be acquired. Stability during operating and environmental conditions is critical, namely, material color steadfastness, optoelectronic performance retention, morphological rigidity, and chemical robustness. To date, no single investigation encompasses all four distinct, yet interconnected, metrics. Here, we present a multimodal strategy that captures a dynamic and interconnected evolution of each property during the course of an accelerated photobleaching experiment. We demonstrate this approach across relevant length scales (from molecular to visual macroscale) using X-ray photoelectron spectroscopy, grazing-incidence X-ray scattering, microwave conductivity, and time-dependent photobleaching spectroscopies for two high-performance semitransparent OPV blends—PDPP4T:PC 60 BM and PDPP4T:IEICO-4F, with comparisons to the stabilities of the individual components. We present direct evidence that specific molecular acceptor (fullerene vs nonfullerene) designs and the resulting donor–acceptor interactions lead to distinctly different mechanistic routes that ultimately arrive at what is termed “OPV degradation.” We directly observe a chemical oxidation of the cyano endcaps of the IEICO-4F that coincides with a morphological change and large loss in photoconductivity while the fullerene acceptor-containing blend demonstrates a significantly greater fraction of oxygen uptake but retains 55% of the photoconductivity. Finally, this experimental roadmap provides meaningful guidance for future high-throughput, multimodal studies, benchmarking the sensitivity of the different analytical techniques for assessing stability in printable active layers, independent of complete device architectures.

14 SOLAR ENERGY↗

DOE OSTI2020

Solid-State Ionic Rectification in Perovskite Nanowire Heterostructures

Halide perovskites have attracted increasing research attention with regard to their potential for optoelectronic applications. Because of its low activation energy, ion migration is implicated in the long-term stability and many unusual transport behaviors of halide perovskite devices. However, direct observation and precise control of the ionic transport in halide perovskite crystals remain challenging. Here, we have designed an axial CsPbBr 3 -CsPbCl 3 nanowire heterostructure, in which electric-field-induced halide ion migration was clearly visualized and quantified. We demonstrated that halide ion migration is dependent on the applied electric field and exhibits ionic rectification in this solid-state system, which is due to the nonuniform distribution of the ionic vacancies in the nanowire that results from a competition between electrical screening and their creation/destruction at the electrodes' interfaces. Furthermore, the asymmetric heterostructure characteristics add an additional knob to control the ion movement in the design of advanced ionic circuits with halide perovskites as building blocks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Ion correlations drive charge overscreening and heterogeneous nucleation at solid–aqueous electrolyte interfaces

Significance Ion distributions at charged solid–water interfaces, referred to as the electrical double layer (EDL), are poorly understood at high ion concentrations, in part due to the lack of molecular-scale descriptions of the interactions between adsorbed hydrated ions. Here, direct visualization of the salinity-dependent evolution of EDL structure reveals molecular origins of nonclassical transformation of the EDL, in which charge overscreening and heterogeneous nucleation are driven by ion–ion correlations at the interfaces. This manifestation of the atomistic basis of nonclassical behaviors provides a much-needed understanding of the impact of ion cooperativity at charged interfaces for the development of predictive models for element transport in natural environments and advanced technologies for material growth and synthesis in saline environments.

36 MATERIALS SCIENCE↗