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All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Developing a Vision for Heliophysics Infrastructure: The LIKED Resource and the DIARieS Ecosystem

Heliophysics data and computational infrastracture are not equipped for 21st science, suffering from holes in the know-how to build better systems. Without a clear vision, efforts to improve the infrastructure have been incremental and incoherent. This poster presents both the vision and the technology required: an online LIbrary KnowledgE and Discovery (LIKED) resource for discovering and implementing knowledge, data, and infrastructure resources; and an online analysis ecosystem to simplify Discovery, Implementation, Analysis, Reproducibility, and Sharing (DIARieS) of scientific results and environments. The LIKED and DIARieS solutions adopt FAIR data principles and the best practices from the budding field of open science. The proposed new infrastructure components will close many of the current gaps in heliophysics’ infrastructure, such as the ability to search for data and knowledge by phenomenon across domains, and to find software and examples relevant to the desired data set (including model data). Further, these components will enable community members to more efficiently use the resources already present and improve upon the content via a community-curated and trusted library. Combining these solutions lowers the barriers to heliophysics resources for all, increasing the return on our investments. Finally, the structure behind these ideas are topic-agnostic, so they are fully extensible to other fields, leading to invaluable connections to other disciplines. Just as with the development and construction of a long-term satellite mission, we must work together as a community to build a vision of the infrastructure that will most benefit the community, and then collaborate to construct, assemble, and test all the necessary pieces individually and as a unit. Our purpose in presenting this work is to not only describe the proposed vision, but also to gather feedback from the community on this topic.

infrastructure↗
DOE OSTI2022

Hexagonal Distributed Embedded Energy Converters (HexDEECs)

Distributed Embedded Energy Converter Technologies (DEEC-Tec) is a new domain for marine renewable energy research that utilizes a conglomeration of small distributed embedded energy converters (DEECs) that, in aggregate, form larger metamaterial frameworks. These resulting DEEC-Tec metamaterials can then, in turn, be used to construct flexible ocean wave energy converters called flexWECs. DEEC-Tec enables flexWECs: (i) to be inherently broad-banded ocean wave frequency energy converters and (ii) to have an inherent lack of highly loaded rigid bodies. The DEEC-Tec domain also benefits the marine renewable energy domain by inherently availing ways that marine energy can be harvested and converted that heretofore has not yet been considered possible: real-time execution of transforming topologies (e.g., actively changing a flexWEC's shape and form) and morphologies (e.g., actively changing a flexWEC's stiffness and damping throughout its entire structure). Presented, is one specific type of DEEC, a HexDEEC, that shows promise in aiding the adoption and further development of the DEEC-Tec domain - it is a small energy transducer being developed by the United States National Renewable Energy Laboratory. The HexDEEC is a small (characteristic length approximating a centimeter) energy transducer that converts the dynamic deformations of an elastomer into electricity through a charging-discharging cycle of a capacitor whose capacitance is varied by those elastic deformations. The HexDEEC is composed of a hyperelastic hexagonal housing (nominally silicon rubber) with six electrodes on its inner faces. The upper three electrodes share the same charge while the lower three electrodes oppose the upper electrode charges. Externally, the HexDEEC has two arms extending away from the middle vertices of the hexagon. Via principles governing the relationship between electrical capacitance and electrical potential (voltage and charge), electricity is generated when the HexDEEC's arms are dynamically pulled or released under tensile loading as doing so causes the distance between the upper and lower sets of electrodes to change - varying the energy converter's overall capacitance. Analytical and numerical modeling have already been used to estimate the electrical energy produced by a HexDEEC. The cursory models approximate the HexDEEC as a parallel plate variable capacitor - simplifying from six to two opposing plates with a constant dielectric volume between those two plates. To account for the elastic HexDEEC material properties, software such as SolidWorks and STAR-CCM+ have been used to generate hyperelastic models; notably, Mooney-Rivlin based models. Individual HexDEECs have been fabricated by drawing uncured liquid silicon rubber into molds via vacuum pressure. To simplify manufacturing, HexDEEC sub-components - e.g., electrodes, wires - can be placed within those molds such that they are directly embedded into the hexagonal housing during the curing process. Furthermore, DEEC-Tec metamaterials can be created by interweaving or sequentially layering multiple HexDEEC strands together. The HexDEEC based metamaterial could then generate electricity through its gross deformations. Ultimately, HexDEECs represent a specific type of energy transducer that can be leveraged, by the DEEC-Tec domain, to create metamaterials used to construct novel flexWECs.

DEEC-Tec↗
NASA NTRS1995

Design, construction and testing of annular diffusers for high speed civil transportation combustor applications

A theoretical and an experimental design study of subsonic flow through curved-wall annular diffusers is being carried out in order to establish the most pertinent design parameters for such devices and the implications of their application in the design of engine components in the aerospace industries. This investigation consists of solving numerically the full Navier Stokes and Continuity equations for the time-mean flow. Various models of turbulence are being evaluated for adoption throughout the study and comparisons would be made with experimental data where they exist. Assessment of diffuser performance based on the dissipated mechanical energy would also be made. The experimental work involves the application of Computer Aided Design software tool to the development of a suitable annular diffuser geometry and the subsequent downloading of such data to a CNC machine at Central State University. The results of the investigations are expected to indicate that more cost effective component design of such devices as effective component design of such devices as diffusers which normally contain complex flows can still be achieved. In this regard a review paper was accepted and presented at the First International Conference on High Speed Civil Transportation Research held at North Carolina A&T in December of 1994.

Okhio, Cyril B.↗
DOE OSTI2015

SU-D-213-05: Design, Evaluation and First Applications of a Off-Site State-Of-The-Art 3D Dosimetry System

Purpose: To design, construct and commission a prototype in-house three dimensional (3D) dose verification system for stereotatic body radiotherapy (SBRT) verification at an off-site partner institution. To investigate the potential of this system to achieve sufficient performance (1mm resolution, 3% noise, within 3% of true dose reading) for SBRT verification. Methods: The system was designed utilizing a parallel ray geometry instigated by precision telecentric lenses and an LED 630nm light source. Using a radiochromic dosimeter, a 3D dosimetric comparison with our gold-standard system and treatment planning software (Eclipse) was done for a four-field box treatment, under gamma passing criteria of 3%/3mm/10% dose threshold. Post off-site installation, deviations in the system’s dose readout performance was assessed by rescanning the four-field box irradiated dosimeter and using line-profiles to compare on-site and off-site mean and noise levels in four distinct dose regions. As a final step, an end-to-end test of the system was completed at the off-site location, including CT-simulation, irradiation of the dosimeter and a 3D dosimetric comparison of the planned (Pinnacle{sup 3}) to delivered dose for a spinal SBRT treatment(12 Gy per fraction). Results: The noise level in the high and medium dose regions of the four field box treatment was relatively 5% pre and post installation. This reflects the reduction in positional uncertainty through the new design. This At 1mm dose voxels, the gamma pass rates(3%,3mm) for our in-house gold standard system and the off-site system were comparable at 95.8% and 93.2% respectively. Conclusion: This work will describe the end-to-end process and results of designing, installing, and commissioning a state-of-the-art 3D dosimetry system created for verification of advanced radiation treatments including spinal radiosurgery.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1989

The implementation of the graphics of program EAGLE: A numerical grid generation code on NASA Langley SNS computer system

Program EAGLE (Eglin Arbitrary Geometry Implicit Euler) Numerical Grid Generation System is a composite (multi-block) algebraic or elliptic grid generation system designed to discretize the domain in and/or around any arbitrarily shaped three dimensional regions. This system combines a boundary conforming surface generation scheme and includes plotting routines designed to take full advantage of the DISSPLA Graphics Package (Version 9.0). Program EAGLE is written to compile and execute efficiently on any Cray machine with or without solid state disk (SSD) devices. Also, the code uses namelist inputs which are supported by all Cray machines using the FORTRAN compiler CFT77. The namelist inputs makes it easier for the user to understand the inputs and operation of Program EAGLE. EAGLE's numerical grid generator is constructed in the following form: main program, EGG (executive routine); subroutine SURFAC (surface generation routine); subroutine GRID (grid generation routine); and subroutine GRDPLOT (grid plotting routines). The EAGLE code was modified to use on the NASA-LaRC SNS computer (Cray 2S) system. During the modification a conversion program was developed for the output data of EAGLE's subroutine GRID to permit the data to be graphically displayed by IRIS workstations, using Plot3D. The code of program EAGLE was modified to make operational subroutine GRDPLOT (using DI-3000 Graphics Software Packages) on the NASA-LaRC SNS Computer System. How to implement graphically, the output data of subroutine GRID was determined on any NASA-LaRC graphics terminal that has access to the SNS Computer System DI-300 Graphics Software Packages. A Quick Reference User Guide was developed for the use of program EAGLE on the NASA-LaRC SNS Computer System. One or more application program(s) was illustrated using program EAGLE on the NASA LaRC SNS Computer System, with emphasis on graphics illustrations.

Houston, Johnny L.↗
NASA NTRS2005

Tracking Retreat of the North Seasonal Ice Cap on Mars: Results from the THEMIS Investigation

The CO2 ice caps on Mars advance and retreat with the seasons. This phenomenon was first observed by Cassini and then confirmed by numerous ground based observations in 19th and 20th centuries. With the advent of the space age observations of the seasonal ice cap were done by all orbiting spacecraft starting with Mariner 7. Viking Orbiters and more recently the Mars Global Surveyor (particularly Mars Orbiter Camera (MOC) and Thermal Emission Spectrometer (TES) instruments) have accumulated significant data on the retreat of the CO2 seasonal cap. During Mars year 2 of THEMIS operations at Mars, we planned an observational campaign in which the THEMIS instrument (onboard the Mars Odyssey spacecraft) repeatedly observed the north seasonal polar cap from midwinter to late spring. THEMIS allows simultaneous observations in both Thermal IR (12.57 m) and Visible wavelengths (0.65 m). One of the goals for this work is to initiate an interannual program for observations of the seasonal ice caps using the THEMIS instrument. The most efficient way to detect the edge between frost and bare ground is directly onboard of the spacecraft. Prior to onboard software design effort, we have developed two groundbased algorithms for automatically finding the edge of the seasonal polar cap in THEMIS IR data. The first algorithm relies on fully calibrated data and can be used for highly reliable groundbased analyses. The second method was specifically developed for processing raw, uncalibrated data in a highly efficient way. It has the potential to enable automatic, onboard detections of the seasonal cap retreat. We have experimentally confirmed that both methods produce similar results, and we have validated both methods against a model constructed from the MGS TES data from the same season.

Ivanov, A. B.↗
NASA NTRS2012

Graphics Processing Unit Assisted Thermographic Compositing

Objective Develop a software application utilizing high performance computing techniques, including general purpose graphics processing units (GPGPUs), for the analysis and visualization of large thermographic data sets. Over the past several years, an increasing effort among scientists and engineers to utilize graphics processing units (GPUs) in a more general purpose fashion is allowing for previously unobtainable levels of computation by individual workstations. As data sets grow, the methods to work them grow at an equal, and often greater, pace. Certain common computations can take advantage of the massively parallel and optimized hardware constructs of the GPU which yield significant increases in performance. These common computations have high degrees of data parallelism, that is, they are the same computation applied to a large set of data where the result does not depend on other data elements. Image processing is one area were GPUs are being used to greatly increase the performance of certain analysis and visualization techniques.

Ragasa, Scott↗
DOE OSTI2026

Field Validation of a Grid-Interactive Efficient Building Software Solution

The U.S. General Services Administration's (GSA's) Green Proving Ground (GPG) program, in partnership with the National Laboratory of the Rockies (NLR), completed a field study of a Grid-Interactive Efficient Buildings (GEB) software solution. The study focused on a single testbed facility to test the GEB functionality of the software solution, along with other features. The testbed facility - a courthouse - is a common building type in GSA's vast building portfolio, offering potentially impactful findings on a scalable level. The study evaluated Prescriptive Data's technology, Nantum OS, a connected building operating system ("GEB Solution") which aggregates multiple sources of previously siloed building data and combines that data with external sources, such as weather information or utility signals, into a single integrated platform. A GEB Solution is a type of Energy Management Information System (EMIS). EMIS is defined as a system of devices, data services, and software applications that communicates with any building system or third-party data source to aggregate and transform data into new capabilities to aid in the optimization of energy use at the building, campus, or agency level. This specific GEB Solution is an EMIS with ASO, automated system optimization, offering supervisory control of certain aspects of the Building Automation System (BAS). Multiple features were evaluated including, but not limited to, Continuous Demand Management to avoid setting new monthly kilowatt (kW) peaks, energy efficiency for reduction of kilowatt hours (kWh) and natural gas consumption, and automated demand response (ADR) for purposes of lowering demand during a utility called Demand Response (DR) event. The testbed facility was the Foley Federal Building and US Courthouse ("Foley Federal Building") located in Las Vegas, NV. This is a 209,496 sq. ft. building constructed in the 1960s with major renovations in 2004. The facility was a good candidate due to the large prevalence of office and courthouse spaces in the GSA portfolio of buildings. It also has many features which allow integration into and control of the building and a strong facilities team to assist with the study. Quantitative and qualitative performance objectives were developed using GSA's GPG GEB project template along with input from the vendor and building facility staff; these are outlined in Table 1. The quantitative performance objectives focused on continuous demand management, energy efficiency, and automated demand response. The qualitative performance objectives focused on the ease of installation and commissioning as well as the operability of the GEB solution. Other performance metrics that are reported on include carbon reduction, cost effectiveness, and occupant acceptance.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2017

Development of the DIFFRACALC program for analyzing the phase composition of alloys

The DiffraCalc software package is developed for automatic indexing of electron diffraction patterns. The program can operate with the existing base of X-ray diffraction data, containing information about the crystal structures of more than 100 thousands of materials. This information has been extracted from open sources. A compatibility with standard crystallographic files is implemented. In the indexing mode, the program automatically analyzes an experimental diffraction pattern, implementing a search for an appropriate phase from the list compiled by a user proceeding from the crystallographic database. The indexing mode algorithm is constructed using the method of pair reflections. In the simulation mode, the program calculates the electron diffraction pattern for a specified material, which is an additional way to verify the indexing results.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRSDate not supplied

Aeroacoustic Computations of a Generic Low Boom Concept in Landing Configuration: Part 2 - Airframe Noise Simulations

Aeroacoustic simulations of a sub-scale, generic, low-boom supersonic aircraft model at low speeds were carried out using the Lattice-Boltzmann Very Large Eddy Simulation software PowerFLOW® and a Ffowcs Williams and Hawkings approach. The objective was to characterize the airframe noise signature of the configuration and determine the similarities and differences to conventional subsonic aircraft. We quantified the noise produced by the flap and landing gear by simulating the aircraft with and without deployment of these components. Mach number scaling of the far-field noise levels was examined by performing simulations at different flow speeds. We demonstrate that a solid surface formulation does not capture the aircraft acoustic field properly, while a carefully constructed permeable surface formulation yields far-field spectra that compare very favorably to results from direct probing of the simulated flow field.

low boom↗
DOE OSTI2015

Optimizing the Performance of Reactive Molecular Dynamics Simulations for Multi-core Architectures

Hybrid parallelism allows high performance computing applications to better leverage the increasing on-node parallelism of modern supercomputers. In this paper, we present a hybrid parallel implementation of the widely used LAMMPS/ReaxC package, where the construction of bonded and nonbonded lists and evaluation of complex ReaxFF interactions are implemented efficiently using OpenMP parallelism. Additionally, the performance of the QEq charge equilibration scheme is examined and a dual-solver is implemented. We present the performance of the resulting ReaxC-OMP package on a state-of-the-art multi-core architecture Mira, an IBM BlueGene/Q supercomputer. For system sizes ranging from 32 thousand to 16.6 million particles, speedups in the range of 1.5-4.5x are observed using the new ReaxC-OMP software. Sustained performance improvements have been observed for up to 262,144 cores (1,048,576 processes) of Mira with a weak scaling efficiency of 91.5% in larger simulations containing 16.6 million particles.

Aktulga, Hasan Metin↗
DOE OSTI2026

Models and Algorithms for Equilibrium Analysis of Mixed-Material Nucleic Acid Systems

Dynamic programming algorithms within the NUPACK software suite enable analysis of equilibrium base-pairing properties for complex and test tube ensembles containing arbitrary numbers of interacting nucleic acid strands. Currently, calculations are limited to single-material systems that are either all-RNA or all-DNA. Here, to enable analysis of mixed-material systems that are critical for modern applications in vitro, in situ, and in vivo, we develop physical models and dynamic programming algorithms that allow the material of the system to be specified at nucleotide resolution. Free energy parameter sets are constructed for both RNA/DNA and RNA/2'OMe-RNA mixed-material systems by combining available empirical mixed-material parameters with single-material parameter sets to enable treatment of the full complex and test tube ensembles. New dynamic programming recursions account for the material of each nucleotide throughout the recursive process. For a complex with N nucleotides, the mixed-material dynamic programming algorithms maintain the O(N 3 ) time complexity of the single-material algorithms, enabling efficient calculation of diverse physical quantities over complex and test tube ensembles (e.g., complex partition function, equilibrium complex concentrations, equilibrium base-pairing probabilities, minimum free energy secondary structure(s), and Boltzmann-sampled secondary structures) at a cost increase of roughly 2.0-3.5×. The results of existing single-material algorithms are exactly reproduced when applying the new mixed-material algorithms to single-material systems. Accuracy is significantly enhanced using mixed-material models and algorithms to predict RNA/DNA and RNA/2'OMe-RNA duplex melting temperatures from the experimental literature as well as RNA/DNA melt profiles from new experiments. In conclusion, mixed-material analyses can be performed online using the NUPACK web app (www.nupack.org) or locally using the NUPACK Python module.

2′OMe-RNA↗
DOE OSTI2023

Hardware, methodology and applications of 2 + D backscatter Mössbauer spectroscopy with simultaneous x-ray and γ-ray detection

Abstract A unique method is presented for the acquisition and analysis of 57 Fe backscatter Mössbauer spectra with simultaneous detection of the resonant 14.4 keV γ -rays and the characteristic 6.4 keV x-rays, using a custom-built multi-parameter analyser constructed on the basis of commercial analogue to digital converters and high-speed digital latches. The system allows for the simultaneous registration of Doppler-modulation velocities and photon energies, with up to 4096 and 8192 digital channels respectively. This arrangement is in contrast to most related systems, which detect at a single narrow energy window per detector. Samples of arbitrary atomic structure, morphology and surface topography can be studied without altering the setup or the analysis procedure, provided that the samples are at least micrometre sized. The hardware and software that are used to acquire data with minimal dead time are described and the custom and self-contained methods for post-measurement energy discrimination, background correction and velocity-axis folding are discussed. The data are fit using a general Hamiltonian model for the nuclear energy levels of 57 Fe and a quantum mechanical description of the angular momentum coupling is utilised, with consideration of the crystalline and chemical disorder of the sample under examination. Three examples of distinct magnetic systems, with thicknesses ranging from 5 μ m to 6 mm, that were studied using this method are presented, these are: an amorphous CoFeB-based ribbon with ultra-soft coercivity for high-frequency applications, magnetically hard Nd-Fe-B thick films on Si substrates, examined in both as-deposited and annealed states, and a sample from the nickel-rich iron meteorite NWA 6259 that contains the atomically ordered, elevated coercivity, L 1 0 phase of FeNi, tetrataenite. The wide applicability and usefulness of this method is thus demonstrated on three distinct sample morphologies that required little to no surface preparation prior to examination.

Engineering↗
DOE OSTI2015

SU-F-BRA-07: Dosimetric Verification of the Valencia Skin Applicator Using Gafchromic EBT3 Film

Purpose: The Valencia applicators have recently been introduced for HDR treatment of small and shallow superficial skin lesions (< 20 mm diameter and 3-mm depth). Per AAPM TG 56, any HDR applicator internal dimensions must be verified prior to clinical use. However radiographic and tomographic imaging to validate the Valencia applicators is impractical due to the Tungsten alloy housing and flattening filter. In this study, we propose to use EBT3 film to indirectly confirm the physical integrity of the Valencia applicators. Methods: Treatment plans were created using the Oncentra MasterPlan TPS v4.5 for the H2 (20-mm dia.) and H3 (30-mm dia.) Valencia Applicators. A virtual CT phantom (2-mm slice thickness) was created with one source position in water. The published effective depth method was used for each applicator to delivery 500 cGy to a 3-mm depth using the TG-43 formalism. Film measurements (n=3) at 3-mm depth and vertical plane in solid water were performed for each applicator to verify the prescribed dose calculated by the TPS. Percent depth dose curves and off-axis profiles (phantom surface and 3-mm depth) were measured and compared to published data. Films were analyzed using an in-house written program and RIT113 v6 software. Film calibration was performed per TG-55 protocol using the Ir-192 source with NIST-traceable calibration. Results: The prescription absolute dose difference was 1% for the Valencia H2 applicator and 4% for the Valencia H3 applicator. The measured percent depth dose curves and off-axis dose profiles measured for the H2 and H2 Valencia applicators are in excellent agreement with the Granero et al. Monte Carlo results{sup 1}. Conclusion: Gafchromic EBT3 film can be used to indirectly verify the internal components of special HDR skin applicators constructed from high Z materials.{sup 1}Granero et al. “Design and evaluation of a HDR skin applicator with flattening filter”, Med. Phys. 35(2), 495–503, 2008.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Parallel Multi-Omics in High-Risk Subjects for the Identification of Integrated Biomarker Signatures of Type 1 Diabetes

Background: Biomarkers are crucial for detecting early type-1 diabetes (T1D) and preventing significant β-cell loss before the onset of clinical symptoms. Here, we present proof-of-concept studies to demonstrate the potential for identifying integrated biomarker signature(s) of T1D using parallel multi-omics. Methods: Blood from human subjects at high risk for T1D (and healthy controls; n = 4 + 4) was subjected to parallel unlabeled proteomics, metabolomics, lipidomics, and transcriptomics. The integrated dataset was analyzed using Ingenuity Pathway Analysis (IPA) software for disturbances in the at-risk subjects compared to controls. Results: The final quadra-omics dataset contained 2292 proteins, 328 miRNAs, 75 metabolites, and 41 lipids that were detected in all samples without exception. Disease/function enrichment analyses consistently indicated increased activation, proliferation, and migration of CD4 T-lymphocytes and macrophages. Integrated molecular network predictions highlighted central involvement and activation of NF-κB, TGF-β, VEGF, arachidonic acid, and arginase, and inhibition of miRNA Let-7a-5p. IPA-predicted candidate biomarkers were used to construct a putative integrated signature containing several miRNAs and metabolite/lipid features in the at-risk subjects. Conclusions: Preliminary parallel quadra-omics provided a comprehensive picture of disturbances in high-risk T1D subjects and highlighted the potential for identifying associated integrated biomarker signatures. With further development and validation in larger cohorts, parallel multi-omics could ultimately facilitate the classification of T1D progressors from non-progressors.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1981

Modular hardware synthesis using an HDL

Although hardware description languages (HDL) are becoming more and more necessary to automated design systems, their application is complicated due to the difficulty in translating the HDL description into an implementable format, nonfamiliarity of hardware designers with high-level language programming, nonuniform design methodologies and the time and costs involved in transfering HDL design software. Digital design language (DDL) suffers from all of the above problems and in addition can only by synthesized on a complete system and not on its subparts, making it unsuitable for synthesis using standard modules or prefabricated chips such as those required in LSI or VLSI circuits. The present paper presents a method by which the DDL translator can be made to generate modular equations that will allow the system to be synthesized as an interconnection of lower-level modules. The method involves the introduction of a new language construct called a Module which provides for the separate translation of all equations bounded by it.

Covington, J. A.↗
NASA NTRS1993

Qualitative model-based diagnostics for rocket systems

A diagnostic software package is currently being developed at NASA LeRC that utilizes qualitative model-based reasoning techniques. These techniques can provide diagnostic information about the operational condition of the modeled rocket engine system or subsystem. The diagnostic package combines a qualitative model solver with a constraint suspension algorithm. The constraint suspension algorithm directs the solver's operation to provide valuable fault isolation information about the modeled system. A qualitative model of the Space Shuttle Main Engine's oxidizer supply components was generated. A diagnostic application based on this qualitative model was constructed to process four test cases: three numerical simulations and one actual test firing. The diagnostic tool's fault isolation output compared favorably with the input fault condition.

Maul, William↗