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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 307 records · Page 17

High-Performance Computation of Distributed-Memory Parallel 3D Voronoi and Delaunay Tessellation

Computing a Voronoi or Delaunay tessellation from a set of points is a core part of the analysis of many simulated and measured datasets: N-body simulations, molecular dynamics codes, and LIDAR point clouds are just a few examples. Such computational geometry methods are common in data analysis and visualization; but as the scale of simulations and observations surpasses billions of particles, the existing serial and shared-memory algorithms no longer suffice. A distributed-memory scalable parallel algorithm is the only feasible approach. The primary contribution of this paper is a new parallel Delaunay and Voronoi tessellation algorithm that automatically determines which neighbor points need to be exchanged among the subdomains of a spatial decomposition. Other contributions include periodic and wall boundary conditions, comparison of our method using two popular serial libraries, and application to numerous science datasets.

97 MATHEMATICS AND COMPUTING↗

Uncertainty Visualization of Critical Points of 2D Scalar Fields for Parametric and Nonparametric Probabilistic Models

This paper presents a novel end-to-end framework for closed-form computation and visualization of critical point uncertainty in 2D uncertain scalar fields. Critical points are fundamental topological descriptors used in the visualization and analysis of scalar fields. The uncertainty inherent in data (e.g., observational and experimental data, approximations in simulations, and compression), however, creates uncertainty regarding critical point positions. Uncertainty in critical point positions, therefore, cannot be ignored, given their impact on downstream data analysis tasks. Here, in this work, we study uncertainty in critical points as a function of uncertainty in data modeled with probability distributions. Although Monte Carlo (MC) sampling techniques have been used in prior studies to quantify critical point uncertainty, they are often expensive and are infrequently used in production-quality visualization software. We, therefore, propose a new end-to-end framework to address these challenges that comprises a threefold contribution. First, we derive the critical point uncertainty in closed form, which is more accurate and efficient than the conventional MC sampling methods. Specifically, we provide the closed-form and semianalytical (a mix of closed-form and MC methods) solutions for parametric (e.g., uniform, Epanechnikov) and nonparametric models (e.g., histograms) with finite support. Second, we accelerate critical point probability computations using a parallel implementation with the VTK-m library, which is platform portable. Finally, we demonstrate the integration of our implementation with the ParaView software system to demonstrate near-real-time results for real datasets.

97 MATHEMATICS AND COMPUTING↗

EAGLEView: A surface and grid generation program and its data management

An old and proven grid generation code, the EAGLE grid generation package, is given an added dimension of a graphical interface and a real time data base manager. The Numerical Aerodynamic Simulation (NAS) Panel Library is used for the graphical user interface. Through the panels, EAGLEView constructs the EAGLE script command and sends it to EAGLE to be processed. After the object is created, the script is saved in a mini-buffer which can be edited and/or saved and reinterpreted. The graphical objects are set-up in a linked-list and can be selected or queried by pointing and clicking the mouse. The added graphical enhancement to the EAGLE system emphasizes the unique capability to construct field points around complex geometry and visualize the construction every step of the way.

Remotigue, M. G.↗

An Ontology-Based Virtual Orrery

Tutorials in this technical memorandum explain how to use the Protégé ontology editor to import data from Excel and export data from Protégé in the JavaScript Object Notation Linked Data (JSON-LD) format then how to transform the JSON-LD file into variables for web apps. These tutorials apply JavaScript and R programming languages and 3D graphics libraries. Ontologies enable standardization, data sharing, and semantic interoperability. An ontology models a domain of knowledge as taxonomies of annotated classes, data properties, relational object properties, and inference rules. This technical memorandum includes a data dictionary for a subset of the Space Situational Awareness Ontology (SSAO).

Ontologies↗

MILK : a Python scripting interface to MAUD for automation of Rietveld analysis

Modern diffraction experiments ( e.g. in situ parametric studies) present scientists with many diffraction patterns to analyze. Interactive analyses via graphical user interfaces tend to slow down obtaining quantitative results such as lattice parameters and phase fractions. Furthermore, Rietveld refinement strategies ( i.e. the parameter turn-on-off sequences) tend to be instrument specific or even specific to a given dataset, such that selection of strategies can become a bottleneck for efficient data analysis. Managing multi-histogram datasets such as from multi-bank neutron diffractometers or caked 2D synchrotron data presents additional challenges due to the large number of histogram-specific parameters. To overcome these challenges in the Rietveld software Material Analysis Using Diffraction ( MAUD ), the MAUD Interface Language Kit ( MILK ) is developed along with an updated text batch interface for MAUD . The open-source software MILK is computer-platform independent and is packaged as a Python library that interfaces with MAUD . Using MILK , model selection ( e.g. various texture or peak-broadening models), Rietveld parameter manipulation and distributed parallel batch computing can be performed through a high-level Python interface. A high-level interface enables analysis workflows to be easily programmed, shared and applied to large datasets, and external tools to be integrated with MAUD . Through modification to the MAUD batch interface, plot and data exports have been improved. The resulting hierarchical folders from Rietveld refinements with MILK are compatible with Cinema: Debye–Scherrer , a tool for visualizing and inspecting the results of multi-parameter analyses of large quantities of diffraction data. In this manuscript, the combined Python scripting and visualization capability of MILK is demonstrated with a quantitative texture and phase analysis of data collected at the HIPPO neutron diffractometer.

97 MATHEMATICS AND COMPUTING↗

Combined Imaging and RNA-Seq on a Microfluidic Platform for Viral Infection Studies

The goal of this work was to pioneer a novel, low-overhead protocol for simultaneously assaying cell-surface markers and intracellular gene expression in a single mammalian cell. The purpose of developing such a method is to be able to understand the mechanisms by which pathogens engage with individual mammalian cells, depending on their cell surface proteins, and how both host and pathogen gene expression changes are reflective of these mechanisms. The knowledge gained from such analyses of single cells will ultimately lead to more robust pathogen detection and countermeasures. Our method was aimed at streamlining both the upstream cell sample preparation using microfluidic methods, as well as the actual library making protocol. Specifically, we wanted to implement a random hexamer-based reverse transcription of all RNA within a single cell (as opposed to oligo dT-based which would only capture polyadenylated transcripts), and then use a CRISPR-based method called scDash to deplete ribosomal DNAs (since ribosomal RNAs make up the majority of the RNA in a mammalian cell). After significant troubleshooting, we demonstrate that we are able to prepare cDNA from RNA using the random hexamer primer, and perform the rDNA depletion. We also show that we can visualize individually stained cells, setting up the pipeline for connecting surface markers to RNA-sequencing profiles. Finally, we test a number of devices for various parts of the pipeline, including bead generation, optical barcoding and cell dispensing, and demonstrate that while some of these have potential, more work is needed to optimize this part of the pipeline.

59 BASIC BIOLOGICAL SCIENCES↗

Status of FUDGE [Slides]

This presentation discusses the nuclear data management code FUDGE (For Updating Data and Generating Evaluations). While FUDGE is designed to support GNDS, the presentation also states that ENDF-6 and ENDL data files are also supported but must first be translated into GNDS; translators are included with FUDGE. It also states that FUDGE supports plotting, manipulating, checking for physical content, resonance reconstruction, Doppler broadening, etc. FUDGE also supports processing for Monte Carlo and deterministic transport. FUDGE is open source, and the latest public release was FUDGE-4.2.3 with support for GNDS-1.9. In summation, FUDGE capabilities include translating older formats into GNDS, translating GNDS back to ENDF-6, and visualizing, modifying, checking, and processing GNDS data. It also states that a new version of FUDGE is coming soon. The plan is to support GNDS-2.0 specification, but it may be released sooner if v2.0 is delayed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A Study on the Effect of Communication Performance on Message-Passing Parallel Programs: Methodology and Case Studies

From a source-program perspective, the performance achieved on distributed/parallel systems is governed by the underlying message-passing library overhead and the network capabilities of the architecture. Studying the impact of changes in these features on the source-program. can have a significant influence in the development of next-generation system designs. In this paper we introduce a simple and robust tool that can be used for this purpose. This tool is based on event-driven simulation of programs that generates a new set of trace events - that preserves causality and partial order - corresponding to the expected execution of the program in the simulated environment. Trace events can be visualized and source-level profile information can be used to pin-point locations of program which are most significantly affected with changing system parameters in the simulated environment. We present a number of examples from the NAS benchmark suite, executed on the Intel Paragon and iPSC/860 that are used to identify and expose performance bottlenecks with varying system parameters. Specific aspects of the system that significantly effect these benchmarks are presented and discussed,

Sarukkai, Sekhar R.↗

Lunar Science Investigations and Exploration in Celestial Mapping System

Introduction: As NASA expands the mission portfolio on the lunar surface, there is a need for applications with a broad range of analytical and functional capabilities that can be simultaneously deployed onto multiple mobile and desktop platforms to perform in-situ operations and hence enabling extensive Lunar exploration. Celestial Mapping System (CMS) [1,2] is developed to address the need for tools for science investigations, mission planning, operations and support for planetary sciences. Built on top of NASA WorldWind libraries, CMS can be simultaneously deployed onto multiple platforms, has the flexibility to update to the latest imagery and terrain datasets as they are being acquired (in real time) before and/or during the exploration mission and has the potential to enable traverse path planning suited for rovers, EVA and surface mobility units. It can provide critical functionalities such as equipment planning and optimized placement on Lunar surface, line of sight analysis to inform the coverage area for various equipment, powerful measurement tools based on 3D terrain, 3D COLLADA models to represent rovers, humans and equipment, visualization of derived mapping products (e.g. resource maps), and a data engine for hosting new observations that are not available in other contemporary lunar data tools [1]. Visualization of PSRs: The current presentation focuses on the work performed by the authors, to consume a unique dataset of super-enhanced images of the permanently shadowed regions (PSRs) at the lunar poles which were produced by the Hyper-effective nOise Removal U-net Software (HORUS) tool [3]. This tool was developed in direct support of NASA's VIPER and Artemis programs to enhance the extremely low-light images of the interior of PSRs and provide the first-time ability to see within these regions at and discern surface features (i.e. boulders and craters) down to 3 meters in size. We focused on the region near Nobili crater near Lunar south pole, selected site for VIPER mission and stitched several images to create a high-resolution map within one of the PSR of Nobile crater. Line of Sight Analysis and Traverse Planning in PSRs: We have developed an in-built line of sight analysis (LOS) tool in CMS that analyzes the terrain profile and obstructions and provides the visibility of a given terrain for a remote observer. This tool was utilized to perform viewshed analysis to investigate the area inside the PSR, a remote observer such as a rover could see without actually crossing the region. Figure 1 shows the viewshed analysis on the PSR in Nobile region. The yellow pin shows the observer location outside the PSR. The yellow area shows the visible part of PSR. The obstructed area with no visibility for the observer is shown in red. Figure 1: (left) PSR image on top of a high-resolution mosaic of sunlit images of a crater, in Nobile region (right) Viewshed Analysis of the same PSR with observer location shown by yellow pin. This analysis was extended further to set different heights for various observers and then perform the viewshed analysis. Combining the different visibility profiles can help designing improved traverses within the crater. Future plans: Eventually, HORUS datasets will be integrated into CMS as a layer in selected lunar polar regions. Hazard Maps will then be created based on terrain analysis in those regions. This integration will enable multiple scientific and exploration applications, such as designing traverses within PSRs, analyzing potential landing and science mission targets, investigating the meter-scale geomorphology of PSRs, including craters, boulder, surface roughness, mass wasting features and other indications of the presence of water-ice and other volatiles. Acknowledgments: CMS developers team including Kaitlyn J. Dickinson, Tyler A. Lucarz, Tyler W. Choi from USRA, NASA WorldWind Advisory team including Mark Peterson and Guillermo Miguel Del Castillo, HORUS team member V.T. Bickel, Robinson, M., LRO MOON LROC 2 EDR V1.0, LRO-L-LROC-2-EDR-V1.0, NASA Planetary Data System (PDS), 2009. https://doi.org/10.17189/1520643 References: [1] https://celestial.arc.nasa.gov [2] Agrawal et. al. “Celestial Mapping System for Lunar Surface Mapping and Analytics”, Lunar Surface Innovation Consortium, 2021 [3] Bickel V. et al. (2021) Nat Commun 12, 5607

Lunar Mapping↗

One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites

Interrogating fragment libraries by X-ray crystallography is a powerful strategy for discovering allosteric ligands for protein targets. Cryocooling of crystals should theoretically increase the fraction of occupied binding sites and decrease radiation damage. However, it might also perturb protein conformations that can be accessed at room temperature. Using data from crystals measured consecutively at room temperature and at cryogenic temperature, we found that transient binding sites could be abolished at the cryogenic temperatures employed by standard approaches. Finally, changing the temperature at which the crystallographic data was collected could provide a deliberate perturbation to the equilibrium of protein conformations and help to visualize hidden sites with great potential to allosterically modulate protein function.

36 MATERIALS SCIENCE↗

System-of-Systems Technology-Portfolio-Analysis Tool

Advanced Technology Life-cycle Analysis System (ATLAS) is a system-of-systems technology-portfolio-analysis software tool. ATLAS affords capabilities to (1) compare estimates of the mass and cost of an engineering system based on competing technological concepts; (2) estimate life-cycle costs of an outer-space-exploration architecture for a specified technology portfolio; (3) collect data on state-of-the-art and forecasted technology performance, and on operations and programs; and (4) calculate an index of the relative programmatic value of a technology portfolio. ATLAS facilitates analysis by providing a library of analytical spreadsheet models for a variety of systems. A single analyst can assemble a representation of a system of systems from the models and build a technology portfolio. Each system model estimates mass, and life-cycle costs are estimated by a common set of cost models. Other components of ATLAS include graphical-user-interface (GUI) software, algorithms for calculating the aforementioned index, a technology database, a report generator, and a form generator for creating the GUI for the system models. At the time of this reporting, ATLAS is a prototype, embodied in Microsoft Excel and several thousand lines of Visual Basic for Applications that run on both Windows and Macintosh computers.

O'Neil, Daniel↗

SU-E-T-622: Planning Technique for Passively-Scattered Involved-Node Proton Therapy of Mediastinal Lymphoma with Consideration of Cardiac Motion

Purpose: To develop a treatment planning method for passively-scattered involved-node proton therapy of mediastinal lymphoma robust to breathing and cardiac motions. Methods: Beam-specific planning treatment volumes (bsPTV) are calculated for each proton field to incorporate pertinent uncertainties. Geometric margins are added laterally to each beam while margins for range uncertainty due to setup errors, breathing, and calibration curve uncertainties are added along each beam. The calculation of breathing motion and deformation effects on proton range includes all 4DCT phases. The anisotropic water equivalent margins are translated to distances on average 4DCT. Treatment plans are designed so each beam adequately covers the corresponding bsPTV. For targets close to the heart, cardiac motion effects on dosemaps are estimated by using a library of anonymous ECG-gated cardiac CTs (cCT). The cCT, originally contrast-enhanced, are partially overridden to allow meaningful proton dose calculations. Targets similar to the treatment targets are drawn on one or more cCT sets matching the anatomy of the patient. Plans based on the average cCT are calculated on individual phases, then deformed to the average and accumulated. When clinically significant dose discrepancies occur between planned and accumulated doses, the patient plan is modified to reduce the cardiac motion effects. Results: We found that bsPTVs as planning targets create dose distributions similar to the conventional proton planning distributions, while they are a valuable tool for visualization of the uncertainties. For large targets with variability in motion and depth, integral dose was reduced because of the anisotropic margins. In most cases, heart motion has a clinically insignificant effect on target coverage. Conclusion: A treatment planning method was developed and used for proton therapy of mediastinal lymphoma. The technique incorporates bsPTVs compensating for all common sources of uncertainties and estimation of the effects of cardiac motion not commonly performed.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Next Generation Flight Displays Using HTML5

The Human Integrated Vehicles and Environments (HIVE) lab at Johnson Space Center (JSC) is focused on bringing together inter-disciplinary talent to design and integrate innovative human interface technologies for next generation manned spacecraft. As part of this objective, my summer internship project centered on an ongoing investigation in to building flight displays using the HTML5 standard. Specifically, the goals of my project were to build and demo "flight-like" crew and wearable displays as well as create a webserver for live systems being developed by the Advanced Exploration Systems (AES) program. In parallel to my project, a LabVIEW application, called a display server, was created by the HIVE that uses an XTCE (XML (Extensible Markup Language) Telemetry and Command Exchange) parser and CCSDS (Consultative Committee for Space Data System) space packet decoder to translate telemetry items sent by the CFS (Core Flight Software) over User Datagram Protocol (UDP). It was the webserver's job to receive these UDP messages and send them to the displays. To accomplish this functionality, I utilized Node.js and the accompanying Express framework. On the display side, I was responsible for creating the power system (AMPS) displays. I did this by using HTML5, CSS and JavaScript to create web pages that could update and change dynamically based on the data they received from the webserver. At this point, I have not started on the commanding, being able to send back to the CFS, portion of the displays but hope to have this functionality working by the completion of my internship. I also created a way to test the webserver's functionality without the display server by making a JavaScript application that read in a comma-separate values (CSV) file and converted it to XML which was then sent over UDP. One of the major requirements of my project was to build everything using as little preexisting code as possible, which I accomplished by only using a handful of JavaScript libraries. As a side project, I created a model of the HIVE lab and Building 29 using SketchUp. I obtained the floorplans of the building from the JSC Geographic Information Systems (GIS), which were computer-aided design (CAD) files, and imported them into SketchUp. I then took those floorplans and created a 3D model of the building from them. Working in conjunction with the Hybrid Reality lab in Building 32, the SketchUp model was imported into Unreal Engine for use with the HTC Vive. Using the Vive, I was able to interact with the model I created in virtual reality (VR). The purpose of this side project was to be able to visualize potential lab layouts and mockup designs as they are in development in order to finalize design decisions. Pending approval, the model that I created will be used in the Build-As-You-Test: Can Hybrid Reality Improve the SE/HSI Design Process project in the fall. Getting the opportunity to work at NASA has been one of the most memorable experiences of my life. Over the course of my internship, I improved my programming and web development abilities substantially. I will take all the skills and experiences I have had while at NASA back to school with me in the fall and hope to pursue a career in the aerospace industry after graduating in the spring.

Greenwood, Brian↗

Grist : grid-based data mining for astronomy

The Grist project is developing a grid-technology based system as a research environment for astronomy with massive and complex datasets. This knowledge extraction system will consist of a library of distributed grid services controlled by a workflow system, compliant with standards emerging from the grid computing, web services, and virtual observatory communities. This new technology is being used to find high redshift quasars, study peculiar variable objects, search for transients in real time, and fit SDSS QSO spectra to measure black hole masses. Grist services are also a component of the 'hyperatlas' project to serve high-resolution multi-wavelength imagery over the Internet. In support of these science and outreach objectives, the Grist framework will provide the enabling fabric to tie together distributed grid services in the areas of data access, federation, mining, subsetting, source extraction, image mosaicking, statistics, and visualization.

grid computing↗

A Compilation of MATLAB Scripts and Functions for MACGMC Analyses

The primary aim of the current effort is to provide scripts that automate many of the repetitive pre- and post-processing tasks associated with composite materials analyses using the Micromechanics Analysis Code with the Generalized Method of Cells. This document consists of a compilation of hundreds of scripts that were developed in MATLAB (The Mathworks, Inc., Natick, MA) programming language and consolidated into 16 MATLAB functions. (MACGMC). MACGMC is a composite material and laminate analysis software code developed at NASA Glenn Research Center. The software package has been built around the generalized method of cells (GMC) family of micromechanics theories. The computer code is developed with a user-friendly framework, along with a library of local inelastic, damage, and failure models. Further, application of simulated thermo-mechanical loading, generation of output results, and selection of architectures to represent the composite material have been automated to increase the user friendliness, as well as to make it more robust in terms of input preparation and code execution. Finally, classical lamination theory has been implemented within the software, wherein GMC is used to model the composite material response of each ply. Thus, the full range of GMC composite material capabilities is available for analysis of arbitrary laminate configurations as well. The pre-processing tasks include generation of a multitude of different repeating unit cells (RUCs) for CMCs and PMCs, visualization of RUCs from MACGMC input and output files and generation of the RUC section of a MACGMC input file. The post-processing tasks include visualization of the predicted composite response, such as local stress and strain contours, damage initiation and progression, stress-strain behavior, and fatigue response. In addition to the above, several miscellaneous scripts have been developed that can be used to perform repeated Monte-Carlo simulations to enable probabilistic simulations with minimal manual intervention. This document is formatted to provide MATLAB source files and descriptions of how to utilize them. It is assumed that the user has a basic understanding of how MATLAB scripts work and some MATLAB programming experience.

Materials Engineering↗

Small Molecule Inhibitors of the BfrB–Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity

The iron storage protein bacterioferritin (BfrB) is central to bacterial iron homeostasis. The mobilization of iron from BfrB, which requires binding by a cognate ferredoxin (Bfd), is essential to the regulation of cytosolic iron levels in P. aeruginosa . This paper describes the structure-guided development of small molecule inhibitors of the BfrB–Bfd protein–protein interaction. The process was initiated by screening a fragment library and followed by obtaining the structure of a fragment hit bound to BfrB. The structural insights were used to develop a series of 4-(benzylamino)- and 4-((3-phenylpropyl)amino)-isoindoline-1,3-dione analogs that selectively bind BfrB at the Bfd binding site. Challenging P. aeruginosa cells with the 4-substituted isoindoline analogs revealed a dose-dependent growth phenotype. Further investigation determined that the analogs elicit a pyoverdin hyperproduction phenotype that is consistent with blockade of the BfrB–Bfd interaction and ensuing irreversible accumulation of iron in BfrB, with concomitant depletion of iron in the cytosol. The irreversible accumulation of iron in BfrB prompted by the 4-substituted isoindoline analogs was confirmed by visualization of BfrB-iron in P. aeruginosa cell lysates separated on native PAGE gels and stained for iron with Ferene S. Challenging P. aeruginosa cultures with a combination of commercial fluoroquinolone and our isoindoline analogs results in significantly lower cell survival relative to treatment with either antibiotic or analog alone. Collectively, these findings furnish proof of concept for the usefulness of small molecule probes designed to dysregulate bacterial iron homeostasis by targeting a protein–protein interaction pivotal for iron storage in the bacterial cell.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

HDF5 As a Vehicle for in Transit Data Movement

For in transit processing, one of the fundamental challenges is the efficient movement of data from producers to consumers. Exploiting the flexibility offered by the SENSEI generic in situ framework, we have developed a number of different in transit data transport mechanisms. In this work, we focus on the transport mechanism that leverages the HDF5 parallel I/O library, and investigate the performance characteristics of this transport mechanism. For in transit use cases at scale on HPC platforms, one might expect that an in transit data transport mechanism that uses faster layers of the storage hierarchy, such as DRAM memory, would always outperform a transport that uses slower layers of the storage hierarchy, such as an NVRAM-based persistent storage presented as a distributed file system. However, our test results show that the performance of the transport using NVRAM is competitive with the transport that uses socket-based data movement across varying levels of producer and consumer concurrency.}, booktitle = {Proceedings of the Workshop on In Situ Infrastructures for Enabling Extreme-Scale Analysis and Visualization

Gu, Junmin↗

Securing Your ICS Software with the AttackSurface Host Analyzer (AHA)

Implementing a secure development lifecycle (SDL) presents increasing challenges to software developers as they must ensure software correctly integrates both underlying operating system security features while also managing dependencies on third-party libraries or executables. There are a growing number of security functions that require a close integration between the OS security features and software builds to ensure strong protection. Furthermore, as software platforms grow in complexity, they present many opportunities for misconfigurations and inadequate defenses. This challenge is especially prevalent for industrial control systems (ICS), which oten depend on both legacy sotware platforms, or out of date operating systems. This paper presents the AttackSurface Host Analyzer (AHA) tool, which is used to assess the security of a software platform through its integration with a host operating system. The tool collects data from the various platforms running on an OS, evaluates an array of security properties, and then introduces metrics and visualizations to provide feedback on the system's attack surface based on the external interconnections and the completeness of the available security protections. The paper then explores the attack surface of a variety of industry-standard ICS platforms to provide insight into the current degree of protection enabled by them.

24 POWER TRANSMISSION AND DISTRIBUTION↗