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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

ToPolyAgent: AI agents for coarse-grained bead-spring topological polymer simulations

We introduce ToPolyAgent, a multi-agent AI framework for performing coarse-grained molecular dynamics (MD) simulations of topological polymers through natural language instructions. By integrating large language models (LLMs) with domain-specific computational tools, ToPolyAgent supports both interactive and autonomous simulation workflows across diverse polymer architectures, including linear, ring, brush, and star polymers, as well as dendrimers. The system consists of four LLM-powered agents: a Config Agent for generating initial polymer–solvent configurations, a Simulation Agent for executing LAMMPS-based MD simulations and conformational analyses, a Report Agent for compiling markdown reports, and a Workflow Agent for streamlined autonomous operations. Interactive mode incorporates user feedback loops for iterative refinements, while autonomous mode enables end-to-end task execution from detailed prompts. We demonstrate ToPolyAgent's versatility through case studies involving diverse polymer architectures under varying solvent conditions, thermostats, and simulation lengths. Furthermore, we highlight its potential as a research assistant by directing it to investigate the effect of interaction parameters on the linear polymer conformation, and the influence of grafting density on the persistence length of the brush polymer. By coupling natural language interfaces with rigorous simulation tools, ToPolyAgent lowers barriers to complex computational workflows and advances AI-driven materials discovery in polymer science. It lays the foundation for autonomous and extensible multi-agent scientific research ecosystems.

Ding, Lijie [Oak Ridge National Laboratory (ORNL),↗
NASA NTRS2000

A natural basis for efficient brain-actuated control

The prospect of noninvasive brain-actuated control of computerized screen displays or locomotive devices is of interest to many and of crucial importance to a few 'locked-in' subjects who experience near total motor paralysis while retaining sensory and mental faculties. Currently several groups are attempting to achieve brain-actuated control of screen displays using operant conditioning of particular features of the spontaneous scalp electroencephalogram (EEG) including central mu-rhythms (9-12 Hz). A new EEG decomposition technique, independent component analysis (ICA), appears to be a foundation for new research in the design of systems for detection and operant control of endogenous EEG rhythms to achieve flexible EEG-based communication. ICA separates multichannel EEG data into spatially static and temporally independent components including separate components accounting for posterior alpha rhythms and central mu activities. We demonstrate using data from a visual selective attention task that ICA-derived mu-components can show much stronger spectral reactivity to motor events than activity measures for single scalp channels. ICA decompositions of spontaneous EEG would thus appear to form a natural basis for operant conditioning to achieve efficient and multidimensional brain-actuated control in motor-limited and locked-in subjects.

NASA Discipline Space Human Factors↗
DOE OSTI2023

R “SHINY” GUI DEVELOPMENT FOR URANIUM ISOTOPIC ANALYSIS WITH MATRIX-ASSISTED IONIZATION MASS SPECTROMETRY

The international nuclear safeguards community continues to seek rapid, accurate, and precise characterization capabilities for the in-field measurement of uranium isotopic compositions in nuclear facilities. Mass spectrometry (MS) is considered the “gold standard” for analysis of relatively long-lived actinides such as uranium (U) and plutonium; however, conventional MS analysis often requires time consuming sample preparation and complex analytical methodologies that are difficult to perform in-field or in-facility. Matrix assisted ionization (MAI) is a novel ambient ionization MS technique (i.e., MAI-MS) that potentially addresses these challenges due to the relative simplicity of the ionization phenomenon and ruggedness of ambient MS instrumentation. Savannah River National Laboratory (SRNL, USA) has demonstrated this technique for nanogram-level 235U/238U isotope ratio measurements within seconds, with percent-level analytical uncertainties capable of discriminating depleted, natural, and low-enriched uranium. Current experimental work on developing MAI methods for uranium isotopic analysis has been enabled by parallel development of a comprehensive MAI-MS data analysis suite at SRNL. Development of this bespoke data analysis software was necessary because commercially available ambient MS software is poorly suited for uranium isotope ratio measurement. The effort leverages the power of R, a popular open-source programming language, and Shiny, an R package providing tools for graphical user interface (GUI) and web interface coding. This software allows researchers without any programming experience to harness and utilize R’s considerable data analysis/visualization power.

LaBone, Elizabeth D.↗
NASA NTRS1997

A Comparison of Two Control Display Unit Concepts on Flight Management System Training

One of the biggest challenges for a pilot in the transition to a 'glass' cockpit is understanding the flight management system (FMS). Because of both the complex nature of the FMS and the pilot-FMS interface, a large portion of transition training is devoted to the FMS. The current study examined the impact of the primary pilot-FMS interface, the control display unit (CDU), on FMS training. Based on the hypothesis that the interface design could have a significant impact on training, an FMS simulation with two separate interfaces was developed. One interface was similar to a current-generation design, and the other was a multiwindows CDU based on graphical user interface techniques. For both application and evaluation reasons, constraints were applied to the graphical CDU design to maintain as much similarity as possible with the conventional CDU. This preliminary experiment was conducted to evaluate the interface effects on training. Sixteen pilots with no FMS experience were used in a between-subjects test. A time-compressed, airline-type FMS training environment was simulated. The subjects were trained to a fixed-time criterion, and performance was measured in a final, full-mission simulation context. This paper describes the technical approach, simulation implementation, and experimental results of this effort.

Abbott, Terence S.↗
DOE OSTI2023

Local Weather Station Design and Development for Cost-Effective Environmental Monitoring and Real-Time Data Sharing

Current weather monitoring systems often remain out of reach for small-scale users and local communities due to their high costs and complexity. This paper addresses this significant issue by introducing a cost-effective, easy-to-use local weather station. Utilizing low-cost sensors, this weather station is a pivotal tool in making environmental monitoring more accessible and user-friendly, particularly for those with limited resources. It offers efficient in-site measurements of various environmental parameters, such as temperature, relative humidity, atmospheric pressure, carbon dioxide concentration, and particulate matter, including PM 1, PM 2.5, and PM 10. The findings demonstrate the station’s capability to monitor these variables remotely and provide forecasts with a high degree of accuracy, displaying an error margin of just 0.67%. Furthermore, the station’s use of the Autoregressive Integrated Moving Average (ARIMA) model enables short-term, reliable forecasts crucial for applications in agriculture, transportation, and air quality monitoring. Furthermore, the weather station’s open-source nature significantly enhances environmental monitoring accessibility for smaller users and encourages broader public data sharing. With this approach, crucial in addressing climate change challenges, the station empowers communities to make informed decisions based on real-time data. In designing and developing this low-cost, efficient monitoring system, this work provides a valuable blueprint for future advancements in environmental technologies, emphasizing sustainability. The proposed automatic weather station not only offers an economical solution for environmental monitoring but also features a user-friendly interface for seamless data communication between the sensor platform and end users. This system ensures the transmission of data through various web-based platforms, catering to users with diverse technical backgrounds. Furthermore, by leveraging historical data through the ARIMA model, the station enhances its utility in providing short-term forecasts and supporting critical decision-making processes across different sectors.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1997

Evaluating a Web-Based Interface for Internet Telemedicine

The objective is to introduce the usability engineering methodology, heuristic evaluation, to the design and development of a web-based telemedicine system. Using a set of usability criteria, or heuristics, one evaluator examined the Spacebridge to Russia web-site for usability problems. Thirty-four usability problems were found in this preliminary study and all were assigned a severity rating. The value of heuristic analysis in the iterative design of a system is shown because the problems can be fixed before deployment of a system and the problems are of a different nature than those found by actual users of the system. It was therefore determined that there is potential value of heuristic evaluation paired with user testing as a strategy for optimal system performance design.

Lathan, Corinna E.↗
DOE OSTI2024

DOE BSSD Performance Management Metrics Report Q1

Microbes play key roles in our biosphere, from driving global nutrient cycling to impacting plant, animal and human health and disease. Complex data from microbial genomes, proteins, and metabolites provide a window into these tiny engines that drive life on our planet. Yet these data are dispersed among researchers’ laboratories and various repositories, making it difficult to access. This calls for new ways of managing data, improving data interoperability, advancing community standards, and creating an infrastructure where data are shared efficiently. We have built the National Microbiome Data Collaborative (NMDC) to advance how scientists create, use, and reuse data to redefine the way we understand and harness the power of microbes. The vision of the National Microbiome Data Collaborative (NMDC) is to drive a microbiome data sharing network connecting data, people, and ideas to advance microbiome innovation and discovery. The NMDC was launched in 2019 and brought together DOE National Laboratories to collaborate across resources, capabilities, and expertise. The NMDC team was strategically assembled to include software developers, microbial researchers, metadata experts, and multi-omics specialists. The diversity of the NMDC team reflects the inherently interdisciplinary nature of microbiome science, and we leverage the strengths of the DOE National Laboratory system. Towards BER’s goal of advancing an iterative systems biology approach to the understanding of microbial genomes, the NMDC serves as a foundation for infrastructure, data standards, and community building. Together with the flagship DOE User Facilities, the Joint Genome Institute (JGI) and the Environmental Molecular Sciences Laboratory (EMSL), we are developing core capabilities in metadata standards for environmental descriptors and sample handling and processing; standardized bioinformatic workflows; an interface for data search and access; and robust community engagement activities. The NMDC production platform supports long-term data infrastructure and community building for BER’s bioenergy and environmental research goals. Our approach leverages lessons learned and an ambitious framework for collaborative, interdisciplinary data infrastructure to support microbiome research. The NMDC supports data, information, and knowledge access through three defined software tools – the Submission Portal, NMDC EDGE, and the Data Portal – driven by community needs. Herein, we describe the value proposition for the microbiome research community, our overarching strategy, and challenges and opportunities for developing the NMDC as both an infrastructure and community engagement program.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1996

Combining Acceleration and Displacement Dependent Modal Frequency Responses Using an MSC/NASTRAN DMAP Alter

Solving for dynamic responses of free-free launch vehicle/spacecraft systems acted upon by buffeting winds is commonly performed throughout the aerospace industry. Due to the unpredictable nature of this wind loading event, these problems are typically solved using frequency response random analysis techniques. To generate dynamic responses for spacecraft with statically-indeterminate interfaces, spacecraft contractors prefer to develop models which have response transformation matrices developed for mode acceleration data recovery. This method transforms spacecraft boundary accelerations and displacements into internal responses. Unfortunately, standard MSC/NASTRAN modal frequency response solution sequences cannot be used to combine acceleration- and displacement-dependent responses required for spacecraft mode acceleration data recovery. External user-written computer codes can be used with MSC/NASTRAN output to perform such combinations, but these methods can be labor and computer resource intensive. Taking advantage of the analytical and computer resource efficiencies inherent within MS C/NASTRAN, a DMAP Alter has been developed to combine acceleration- and displacement-dependent modal frequency responses for performing spacecraft mode acceleration data recovery. The Alter has been used successfully to efficiently solve a common aerospace buffeting wind analysis.

Barnett, Alan R.↗
NASA NTRS1997

Computer Based Training: Field Deployable Trainer and Shared Virtual Reality

Astronaut training has traditionally been conducted at specific sites with specialized facilities. Because of its size and nature the training equipment is generally not portable. Efforts are now under way to develop training tools that can be taken to remote locations, including into orbit. Two of these efforts are the Field Deployable Trainer and Shared Virtual Reality projects. Field Deployable Trainer NASA has used the recent shuttle mission by astronaut Shannon Lucid to the Russian space station, Mir, as an opportunity to develop and test a prototype of an on-orbit computer training system. A laptop computer with a customized user interface, a set of specially prepared CD's, and video tapes were taken to the Mir by Ms. Lucid. Based upon the feedback following the launch of the Lucid flight, our team prepared materials for the next Mir visitor. Astronaut John Blaha will fly on NASA/MIR Long Duration Mission 3, set to launch in mid September. He will take with him a customized hard disk drive and a package of compact disks containing training videos, references and maps. The FDT team continues to explore and develop new and innovative ways to conduct offsite astronaut training using personal computers. Shared Virtual Reality Training NASA's Space Flight Training Division has been investigating the use of virtual reality environments for astronaut training. Recent efforts have focused on activities requiring interaction by two or more people, called shared VR. Dr. Bowen Loftin, from the University of Houston, directs a virtual reality laboratory that conducts much of the NASA sponsored research. I worked on a project involving the development of a virtual environment that can be used to train astronauts and others to operate a science unit called a Biological Technology Facility (BTF). Facilities like this will be used to house and control microgravity experiments on the space station. It is hoped that astronauts and instructors will ultimately be able to share common virtual environments and, using telephone links, conduct interactive training from separate locations.

Mullen, Terence J.↗
NASA NTRS2017

The Profile Envision and Splice Tool (PRESTO): Developing an Atmospheric Wind Analysis Tool for Space Launch Vehicles Using Python

Tropospheric winds are an important driver of the design and operation of space launch vehicles. Multiple types of weather balloons and Doppler Radar Wind Profiler (DRWP) systems exist at NASA's Kennedy Space Center (KSC), co-located on the United States Air Force's (USAF) Eastern Range (ER) at the Cape Canaveral Air Force Station (CCAFS), that are capable of measuring atmospheric winds. Meteorological data gathered by these instruments are being used in the design of NASA's Space Launch System (SLS) and other space launch vehicles, and will be used during the day-of-launch (DOL) of SLS to aid in loads and trajectory analyses. For the purpose of SLS day-of-launch needs, the balloons have the altitude coverage needed, but take over an hour to reach the maximum altitude and can drift far from the vehicle's path. The DRWPs have the spatial and temporal resolutions needed, but do not provide complete altitude coverage. Therefore, the Natural Environments Branch (EV44) at Marshall Space Flight Center (MSFC) developed the Profile Envision and Splice Tool (PRESTO) to combine balloon profiles and profiles from multiple DRWPs, filter the spliced profile to a common wavelength, and allow the operator to generate output files as well as to visualize the inputs and the spliced profile for SLS DOL operations. PRESTO was developed in Python taking advantage of NumPy and SciPy for the splicing procedure, matplotlib for the visualization, and Tkinter for the execution of the graphical user interface (GUI). This paper describes in detail the Python coding implementation for the splicing, filtering, and visualization methodology used in PRESTO.

Orcutt, John M.↗
DOE OSTI2020

A database of battery materials auto-generated using ChemDataExtractor

A database of battery materials is presented which comprises a total of 292,313 data records, with 214,617 unique chemical-property data relations between 17,354 unique chemicals and up to five material properties: capacity, voltage, conductivity, Coulombic efficiency and energy. 117,403 data are multivariate on a property where it is the dependent variable in part of a data series. The database was auto-generated by mining text from 229,061 academic papers using the chemistry-aware natural language processing toolkit, ChemDataExtractor version 1.5, which was modified for the specific domain of batteries. The collected data can be used as a representative overview of battery material information that is contained within text of scientific papers. Public availability of these data will also enable battery materials design and prediction via data-science methods. To the best of our knowledge, this is the first auto-generated database of battery materials extracted from a relatively large number of scientific papers. We also provide a Graphical User Interface (GUI) to aid the use of this database.

25 ENERGY STORAGE↗
DOE OSTI2021

rmc-discord : reverse Monte Carlo refinement of diffuse scattering and correlated disorder from single crystals

A user-friendly program has been developed to analyze diffuse scattering from single crystals with the reverse Monte Carlo method. The approach allows for refinement of correlated disorder from atomistic supercells with magnetic or structural (occupational and/or displacive) disorder. The program is written in Python and optimized for performance and efficiency. Refinements of two user cases obtained with legacy neutron-scattering data demonstrate the effectiveness of the approach and the developed program. It is shown with bixbyite, a naturally occurring magnetic mineral, that the calculated three-dimensional spin-pair correlations are resolved with finer real-space resolution compared with the pair distribution function calculated directly from the reciprocal-space pattern. With the triangular lattice Ba 3 Co 2 O 6 (CO 3 ) 0.7 , refinements of occupational and displacive disorder are combined to extract the one-dimensional intra-chain correlations of carbonate molecules that move toward neighboring vacant sites to accommodate strain induced by electrostatic interactions. The program is packaged with a graphical user interface and extensible to serve the needs of single-crystal diffractometer instruments that collect diffuse-scattering data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1996

Virtual Keyboard for Hands-Free Operations

The measurement of direction of gaze (d.o.g.) has been used for clinical purposes to detect illness, such as nystagmus, unusual fixation movements and many others. It also is used to determine the points of interest in objects. In this study we employ a measurement of d.o.g. as a computer interface. The interface provides a full keyboard as well as a mouse function. Such an interface is important to computer users with paralysis or in environments where hand-free machine interface is required. The study utilizes the commercially available (ISCAN Model RK426TC) headset which consists of an InfraRed (IR) source and an IR camera to sense deflection of the illuminating beam. It also incorporates image processing package that provides the position of the pupil as well as the pupil size. The study shows the ability of implementing a full keyboard, together with some control functions, imaged on a head mounted monitor screen. This document is composed of four sections: (1) The Nature of the Equipment; (2) The Calibration Process; (3) Running Process; and (4) Conclusions.

Abou-Ali, Abdel-Latief↗
NASA NTRS1991

Intelligent systems technology infrastructure for integrated systems

A system infrastructure must be properly designed and integrated from the conceptual development phase to accommodate evolutionary intelligent technologies. Several technology development activities were identified that may have application to rendezvous and capture systems. Optical correlators in conjunction with fuzzy logic control might be used for the identification, tracking, and capture of either cooperative or non-cooperative targets without the intensive computational requirements associated with vision processing. A hybrid digital/analog system was developed and tested with a robotic arm. An aircraft refueling application demonstration is planned within two years. Initially this demonstration will be ground based with a follow-on air based demonstration. System dependability measurement and modeling techniques are being developed for fault management applications. This involves usage of incremental solution/evaluation techniques and modularized systems to facilitate reuse and to take advantage of natural partitions in system models. Though not yet commercially available and currently subject to accuracy limitations, technology is being developed to perform optical matrix operations to enhance computational speed. Optical terrain recognition using camera image sequencing processed with optical correlators is being developed to determine position and velocity in support of lander guidance. The system is planned for testing in conjunction with Dryden Flight Research Facility. Advanced architecture technology is defining open architecture design constraints, test bed concepts (processors, multiple hardware/software and multi-dimensional user support, knowledge/tool sharing infrastructure), and software engineering interface issues.

Lum, Henry↗
NASA NTRS1995

The Evaluation of Two CDU Concepts and Their Effects on FMS Training

One of the biggest challenges for a pilot in the transition to a "glass" cockpit is understanding the Flight Management System (FMS). This is due to both the complex nature of the FMS and to the pilot-FMS interface. For these reasons, a large portion of transition training is devoted to the FMS. The intent of the current study was to examine the impact of the primary pilot-FMS interface, the Control Display Unit (CDU), on FMS training. The hypothesis of this study was that the interface design could have a significant impact on training. An FMS simulation was developed with two separate interfaces. One interface was similar to a current-generation design and the other was a multi-windows CDU based on graphical user interface techniques. For both application and evaluation reasons, constraints were applied to the graphical CDU design to maintain as much similarity as possible with the conventional CDU.

Abbott, Terence S.↗
DOE OSTI2021

Simulating low-energy neutrino interactions with MARLEY

Monte Carlo event generators are a critical tool for the interpretation of data obtained by neutrino experiments. Several modern event generators are available which are well-suited to the GeV energy scale used in studies of accelerator neutrinos. However, theoretical modeling differences make their immediate application to lower energies difficult. In this paper, I present a new event generator, MARLEY, which is designed to better address the simulation needs of the low-energy (tens of MeV and below) neutrino community. The code is written in C++14 with an optional interface to the popular ROOT data analysis framework. The current release of MARLEY (version 1.2.0) emphasizes simulations of the reaction 40 Ar ( ν e , e − ) 40 K ⁎ but is extensible to other channels with suitable user input. This paper provides detailed documentation of MARLEY's implementation and usage, including guidance on how generated events may be analyzed and how MARLEY may be interfaced with external codes such as Geant4. Further information about MARLEY is available on the official website at http://www.marleygen.org. Program title:MARLEY 1.2.0 CPC Library link to program files:https://doi.org/10.17632/4v7zxnc8j3.1 Developer's respository link:http://github.com/MARLEY-MC/marley Code Ocean capsule:https://codeocean.com/capsule/9868179 Licensing provisions: GNU General Public License 3.0 Programming language: C++14 External routines/libraries used: GNU Scientific Library [1,2] (required), ROOT [3,4] (optional) Nature of problem: Simulation of neutrino-nucleus scattering events at energies of tens-of-MeV and below Solution method: Initial two-to-two scattering kinematics are sampled using the allowed approximation differential cross section and tables of precomputed nuclear matrix elements. Subsequent de-excitations of the remnant nucleus are simulated using a Monte Carlo implementation of the Hauser-Feshbach statistical model and tabulated γ-ray decay schemes for discrete nuclear levels. Additional comments including restrictions and unusual features: Input data are provided with the code that are suitable for producing simulations of the charged-current reaction 40 Ar ( ν e , e − ) 40 K ⁎ , coherent elastic neutrino-nucleus scattering on spin-zero target nuclei, and neutrino-electron elastic scattering on any atomic target. Preparation of new reaction input files (whose format is documented in Appendix B) would enable other reaction channels and nuclear targets to be handled by the existing code framework. Although there is no maximum neutrino energy enforced by the code itself, realistic neutrino-nucleus scattering events may be generated up to roughly 50 MeV. Above this energy, the effects of forbidden nuclear transitions, which are neglected in the current treatment of the cross sections (see section 2.1), become increasingly important.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

A Generalized Transformer-Based Pulse Detection Algorithm

Pulse-like signals are ubiquitous in the field of single molecule analysis, e.g., electrical or optical pulses caused by analyte translocations in nanopores. The primary challenge in processing pulse-like signals is to capture the pulses in noisy backgrounds, but current methods are subjectively based on a user-defined threshold for pulse recognition. Here, we propose a generalized machine-learning based method, named pulse detection transformer (PETR), for pulse detection. PETR determines the start and end time points of individual pulses, thereby singling out pulse segments in a time-sequential trace. It is objective without needing to specify any threshold. It provides a generalized interface for downstream algorithms for specific application scenarios. PETR is validated using both simulated and experimental nanopore translocation data. It returns a competitive performance in detecting pulses through assessing them with several standard metrics. Finally, the generalization nature of the PETR output is demonstrated using two representative algorithms for feature extraction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2005

Giovanni: A System for Rapid Access, Visualization and Analysis of Earth Science Data Online

Collecting data and understanding data structures traditionally are the first steps that a user must take, before the core investigation can begin. This is a time-consuming and challenging task, especially when science objectives require users to deal with large multi-sensor data that are usually in different formats and internal structures. The Goddard Earth Sciences Data and Information Services Center (GES DISC) has created the GES DISC Interactive Online Visualization and ANalysis Infrastructure, Giovanni, to enable Web-based visualization and analysis of satellite remotely sensed meteorological, oceanographic, and hydrologic data sets, without users having to download data. The current operational Giovanni interfaces provide the capability to process a number of important satellite measurements, such as (1) ozone and other trace gases from TOMS, OMI, HALOE, and MLS; (2) air temperature, water vapor, and geopotential height from AIRS; (3) aerosols from MODIS TerrdAqua, and GOCART model; (4) precipitation from TRMM and ground measurements; (5) chlorophyll and other ocean color products from SeaWiFS and MODIS Aqua; and (6) sea surface temperature from MODIS Aqua. Depending on the input data structure, the system provides simple statistical analysis and creates time-averaged area plot, area-averaged time series, animations, Hovmoller latitude vs. time and longitude vs. time plots, as well as vertical profiles. The inter-comparison interfaces allow a user to compare observations from different instruments, to conduct anomaly analysis, and to study basic relationships between physical parameters. Giovanni handles data with different temporal and spatial resolutions and, thus, enables both regional and global long-term climate research and short-term special events investigation, as well as data validations and assessments. Because of its simplicity of usage, Giovanni is powerful and versatile, able to assist a wide range of users, from the discipline scientists conducting preliminary research in various fields, to students in the classroom learning about weather, climate, and other natural phenomena. Giovanni can be accessed from: http://disc. esfc.nasa.gov/techlab/giovanni/index.shtml

Shen, S.↗