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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

NCAP: Noncanonical Amino Acid Parameterization Software for CHARMM Potentials

Noncanonical Amino Acids (NCAAs) provide numerous avenues for introduction of novel functionality to peptides and proteins. NCAAs can be incorporated through solid phase synthesis or genetic code expansion in conjugation with heterologous expression of the encoded protein modification. Due to the difficulty of synthesis, wide chemical space and lack of empirically resolved structures modeling the effects of NCAA mutation is critical for rational protein design. To evaluate the structural and functional perturbations NCAAs introduce we utilize molecular potentials that describe the forces in protein structure. Most potentials such as CHARMM are designed to model canonical residues but can be parameterized in include novel NCAAs. Here, in this work, we introduce NCAP a software package to generate CHARMM compatible parameters from quantum chemical calculation. Unlike currently available tools NCAP is designed to recognize NCAA structure and automatically bridge the gap between DFT calculations and potential parameters. For our software we discuss workflow, validation against canonical parameter sets and comparison to published NCAA-protein structures.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2003

Robonaut's Flexible Information Technology Infrastructure

Robonaut, NASA's humanoid robot, is designed to work as both an astronaut assistant and, in certain situations, an astronaut surrogate. This highly dexterous robot performs complex tasks under telepresence control that could previously only be carried out directly by humans. Currently with 47 degrees of freedom (DOF), Robonaut is a state-of-the-art human size telemanipulator system. while many of Robonaut's embedded components have been custom designed to meet packaging or environmental requirements, the primary computing systems used in Robonaut are currently commercial-off-the-shelf (COTS) products which have some correlation to flight qualified computer systems. This loose coupling of information technology (IT) resources allows Robonaut to exploit cost effective solutions while floating the technology base to take advantage of the rapid pace of IT advances. These IT systems utilize a software development environment, which is both compatible with COTS hardware as well as flight proven computing systems, preserving the majority of software development for a flight system. The ability to use highly integrated and flexible COTS software development tools improves productivity while minimizing redesign for a space flight system. Further, the flexibility of Robonaut's software and communication architecture has allowed it to become a widely used distributed development testbed for integrating new capabilities and furthering experimental research.

Askew, Scott↗
NASA NTRS2002

A New Definition for Ground Control

LandForm(R) VisualFlight(R) blends the power of a geographic information system with the speed of a flight simulator to transform a user's desktop computer into a "virtual cockpit." The software product, which is fully compatible with all Microsoft(R) Windows(R) operating systems, provides distributed, real-time three-dimensional flight visualization over a host of networks. From a desktop, a user can immediately obtain a cockpit view, a chase-plane view, or an airborne tracker view. A customizable display also allows the user to overlay various flight parameters, including latitude, longitude, altitude, pitch, roll, and heading information. Rapid Imaging Software sought assistance from NASA, and the VisualFlight technology came to fruition under a Phase II SBIR contract with Johnson Space Center in 1998. Three years later, on December 13, 2001, Ken Ham successfully flew NASA's X-38 spacecraft from a remote, ground-based cockpit using LandForm VisualFlight as part of his primary situation awareness display in a flight test at Edwards Air Force Base, California.

Source record↗
DOE OSTI2022

Upgrade of Gamma Spectrometry Systems for ORNL TRISO Fuel PIE

Gamma spectrometry is a key element in much of the post-irradiation examination (PIE) work performed under the Advanced Gas Reactor Fuel Development and Qualification (AGR) Program (Demkowicz et al. 2015; Stempien et al. 2021). Gamma spectrometers are integrated into three major capabilities used at the Oak Ridge National Laboratory (ORNL) Irradiated Fuels Examination Laboratory (IFEL) for PIE of tristructural-isotropic (TRISO) coated particles and fuel compacts: the Core Conduction Cooldown Test Facility (CCCTF), the Vertical Counting System (VCS), and the Irradiated Microsphere Gamma Analyzer (IMGA). The CCCTF includes liquid-nitrogen-cooled traps to extract 85 Kr out of the He sweep gas that passes through the furnace in which the fuel compacts are heated during safety testing. Analysis of the 85 Kr activity in the traps is the primary indicator for TRISO failure during safety testing. The VCS is a system used to accurately measure gamma emission from components placed in a lead-shielded chamber. It is used to count the CCCTF deposition cups after removal from furnace. Each cup resides in the CCCTF furnace for typically 12–24 h and is periodically replaced with a fresh cup throughout the safety test. Metallic fission products collect on the water-cooled cups and several gamma-emitting isotopes ( 110 mAg, 134 Cs, 137 Cs, 154 Eu, and 155 Eu) are often measured and provide indication of the retention performance of the TRISO coatings. The VCS is also used to measure the presence of these isotopes on the CCCTF tantalum liner and sweep gas inlet tube for the determination of cup collection efficiency, as well as support other gamma spectrometry needs related to calibration of the 85 Kr fission gas traps and various other special PIE tasks. The IMGA uses gamma spectrometry to measure the inventory of gamma-emitting isotopes in individual TRISO particles. An automated particle handling system within the IMGA hot cell removes each particle from a source vial and positions it in front of a gamma detector, and output from the gamma spectrometer is used by the IMGA software to determine a destination vial such that particles are sorted according to their inventory and retention characteristics. At the conclusion of the AGR-1 and AGR-2 PIE campaigns, the gamma spectrometer systems used at ORNL to support that PIE had reached the end of its life cycle due to gradual obsolescence of the hardware and software. Upgrade of the Canberra Genie 2000 software used by these systems to a Windows 10 version was not a viable option, because the newest Windows 10 version offered by Mirion (the new owner of the Canberra technology) did not include the dynamic-link libraries (DLLs) needed for integration with the custom PIE software used with the CCCTF and IMGA, and Mirion had no current plans for development and release of Windows 10 versions of these DLLs with the Model S560 Genie 2000 Programming Library. Ultimately a switch was made to ORTEC gamma spectrometry systems, which appeared to be a more sustainable solution due to more proactive vendor support. The ORTEC conversion involved replacing the aging detector preamplifier and multichannel analyzer (MCA) hardware, upgrading the obsolete Windows 7 computers to Windows 10 compatible models, adopting ORTEC GammaVision software, and extensive modification of the ORNL-developed Visual Basic .NET (VB.NET) programs that provide the CCCTF and IMGA user interfaces.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2011

NASA Applications for Computational Electromagnetic Analysis

Computational Electromagnetic Software is used by NASA to analyze the compatibility of systems too large or too complex for testing. Recent advances in software packages and computer capabilities have made it possible to determine the effects of a transmitter inside a launch vehicle fairing, better analyze the environment threats, and perform on-orbit replacements with assured electromagnetic compatibility.

Lewis, Catherine C.↗
DOE OSTI2024

Classifying topology in photonic crystal slabs with radiative environments

Abstract In the recent years, photonic Chern materials have attracted substantial interest as they feature topological edge states that are robust against disorder, promising to realize defect-agnostic integrated photonic crystal slab devices. However, the out-of-plane radiative losses in those photonic Chern slabs has been previously neglected, yielding limited accuracy for predictions of these systems’ topological protection. Here, we develop a general framework for measuring the topological protection in photonic systems, such as in photonic crystal slabs, while accounting for in-plane and out-of-plane radiative losses. Our approach relies on the spectral localizer that combines the position and Hamiltonian matrices of the system to draw a real-picture of the system’s topology. This operator-based approach to topology allows us to use an effective Hamiltonian directly derived from the full-wave Maxwell equations after discretization via finite-elements method (FEM), resulting in the full account of all the system’s physical processes. As the spectral FEM-localizer is constructed solely from FEM discretization of the system’s master equation, the proposed framework is applicable to any physical system and is compatible with commonly used FEM software. Moving forward, we anticipate the generality of the method to aid in the topological classification of a broad range of complex physical systems.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Facile Integration of Robots into Experimental Orchestration at Scientific User Facilities

Integration of robots into scientific user facilities, such as the National Synchrotron Light Source II, improves their efficiency and capacity. Many such facilities use the opensource Bluesky project for experimental control and orchestration. However, there remains an open challenge in deploying robotic solutions at these facilities that are reconfigurable, extensible, and compatible with pre-existing software infrastructure. Herein, we introduce a framework that uses the Robotic Operating System 2 (ROS2) and Bluesky to provide extensible robotic applications, while working under the operational constraints of a large-scale user facility. We demonstrated this framework by integrating a robotic arm to pick and place a sample holder at a beamline, recording a 90% repeatability rate. This provides the groundwork for further new robotics applications at large-scale scientific user facilities that depend on Bluesky.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Semi-Automatic Geographic Information System Framework for Creating Photo-Realistic Digital Twin Cities to Support Autonomous Driving Research

Digital twin cities are frequently used in vehicle and traffic simulations to render realistic on-road driving scenarios under various traffic and environmental conditions. These digital twins provide a high-fidelity replica of the physical world (e.g., buildings, roads, infrastructures, traffic) to create three-dimensional (3D) virtual-physical environments to support various emerging vehicle and transportation technologies such as connected and automated vehicles. These virtual environments provide a cost-effective digital proving ground to evaluate, validate, and test emerging technologies that include control algorithms, localization, perception, and sensors. Replicating a real-world traffic scenario in a digital twin using a traditional 3D modeling approach is a time-consuming and labor-intensive effort. Here this paper presents a semi-automated spatial framework to construct realistic 3D digital twin cities to support autonomous driving research using readily available geographic information system (GIS) data and 3D prefabricated (prefab) models. We start with a comprehensive review of geospatial data sources of essential digital entities required in a 3D digital twin city and present an integrated GIS-3D modeling pipeline using customized QGIS/GDAL and Blender scripting in Python. The pipeline outputs are realistic 3D digital twin cities compatible with common vehicle simulation software, such as CARLA and IPG CarMaker. The paper closes with a showcase to demonstrate the quality and usability of a digital twin city created to replicate the Shallowford Road corridor in Chattanooga in both Unity and Unreal engine-based virtual environment. The generated digital twin city can be applied to a hardware-in-the-loop simulation environment with an actual testing vehicle to facilitate autonomous driving research.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Liquid and Gamma-BCC Phase Equilibria in the Uranium-Niobium System: A Simple Thermodynamic Model for Phase Diagram and Other Predictions

A simple thermodynamic model for the uranium-niobium (U-Nb) system was created using a Calphad-type approach, circa 2002. Only the liquid and gamma-BCC phases were modeled, with their subregular solution mixing terms optimized by trial and error. The custom (user-defined) database file (.tdb) and experimental data file (.exp) are listed, both of which are compatible with Thermo-Calc software. This model is used to calculate the solidus, liquidus, miscibility gap on the U-Nb phase diagram and also the enthalpy of melting in the U-6Nb alloy.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1973

Apollo experience report: Guidance and control systems. Engineering simulation program

The Apollo Program experience from early 1962 to July 1969 with respect to the engineering-simulation support and the problems encountered is summarized in this report. Engineering simulation in support of the Apollo guidance and control system is discussed in terms of design analysis and verification, certification of hardware in closed-loop operation, verification of hardware/software compatibility, and verification of both software and procedures for each mission. The magnitude, time, and cost of the engineering simulations are described with respect to hardware availability, NASA and contractor facilities (for verification of the command module, the lunar module, and the primary guidance, navigation, and control system), and scheduling and planning considerations. Recommendations are made regarding implementation of similar, large-scale simulations for future programs.

Gilbert, D. W.↗
NASA NTRS1991

Software engineering ethics

Software engineering ethics is reviewed. The following subject areas are covered: lack of a system viewpoint; arrogance of PC DOS software vendors; violation od upward compatibility; internet worm; internet worm revisited; student cheating and company hiring interviews; computing practitioners and the commodity market; new projects and old programming languages; schedule and budget; and recent public domain comments.

Bown, Rodney L.↗
NASA NTRS1993

Telerobot local-remote control architecture for space flight program applications

The JPL Supervisory Telerobotics (STELER) Laboratory has developed and demonstrated a unique local-remote robot control architecture which enables management of intermittent communication bus latencies and delays such as those expected for ground-remote operation of Space Station robotic systems via the Tracking and Data Relay Satellite System (TDRSS) communication platform. The current work at JPL in this area has focused on enhancing the technologies and transferring the control architecture to hardware and software environments which are more compatible with projected ground and space operational environments. At the local site, the operator updates the remote worksite model using stereo video and a model overlay/fitting algorithm which outputs the location and orientation of the object in free space. That information is relayed to the robot User Macro Interface (UMI) to enable programming of the robot control macros. This capability runs on a single Silicon Graphics Inc. machine. The operator can employ either manual teleoperation, shared control, or supervised autonomous control to manipulate the intended object. The remote site controller, called the Modular Telerobot Task Execution System (MOTES), runs in a multi-processor VME environment and performs the task sequencing, task execution, trajectory generation, closed loop force/torque control, task parameter monitoring, and reflex action. This paper describes the new STELER architecture implementation, and also documents the results of the recent autonomous docking task execution using the local site and MOTES.

Zimmerman, Wayne↗
NASA NTRS2004

Four-Channel PC/104 MIL-STD-1553 Circuit Board

The mini bus interface card (miniBIC) is the first four-channel electronic circuit board that conforms to MIL-STD-1553 and to the electrical-footprint portion of PC/104. [MIL-STD-1553 is a military standard that encompasses a method of communication and electrical- interface requirements for digital electronic subsystems connected to a data bus. PC/104 is an industry standard for compact, stackable modules that are fully compatible (in architecture, hardware, and software) with personal-computer data- and power-bus circuitry.] Prior to the development of the miniBIC, only one- and two-channel PC/104 MIL-STD-1553 boards were available. To obtain four channels, it was necessary to include at least two boards in a PC/104 stack. In comparison with such a two-board stack, the miniBIC takes up less space, consumes less power, and is more reliable. In addition, the miniBIC includes 32 digital input/output channels. The miniBIC (see figure) contains four MIL-STD-1553B hybrid integrated circuits (ICs), four transformers, a field-programmable gate array (FPGA), and an Industry Standard Architecture (ISA) interface. Each hybrid IC includes a MILSTD-1553 dual transceiver, memory-management circuitry, processor interface logic circuitry, and 64Kx16 bits of shared static random access memory. The memory is used to configure message and data blocks. In addition, 23 16-bit registers are available for (1) configuring the hybrid IC for, and starting it in, various modes of operation; (2) reading the status of the functionality of the hybrid IC; and (3) resetting the hybrid IC to a known state. The miniBIC can operate as a remote terminal, bus controller, or bus monitor. The FPGA provides the chip-select and data-strobe signals needed for operation of the hybrid ICs. The FPGA also receives interruption signals and forwards them to the ISA bus. The ISA interface connects the address, data, and control interfaces of the hybrid ICs to the ISA backplane. Each channel is, in effect, a MIL-STD-1553 interface that can operate either independently of the others or else as a redundant version of one of the others. The transformer in each channel provides electrical isolation between the rest of the miniBIC circuitry and the bus to which that channel is connected.

Cox, Gary L.↗
NASA NTRS2012

Enhanced Graphics for Extended Scale Range

Enhanced Graphics for Extended Scale Range is a computer program for rendering fly-through views of scene models that include visible objects differing in size by large orders of magnitude. An example would be a scene showing a person in a park at night with the moon, stars, and galaxies in the background sky. Prior graphical computer programs exhibit arithmetic and other anomalies when rendering scenes containing objects that differ enormously in scale and distance from the viewer. The present program dynamically repartitions distance scales of objects in a scene during rendering to eliminate almost all such anomalies in a way compatible with implementation in other software and in hardware accelerators. By assigning depth ranges correspond ing to rendering precision requirements, either automatically or under program control, this program spaces out object scales to match the precision requirements of the rendering arithmetic. This action includes an intelligent partition of the depth buffer ranges to avoid known anomalies from this source. The program is written in C++, using OpenGL, GLUT, and GLUI standard libraries, and nVidia GEForce Vertex Shader extensions. The program has been shown to work on several computers running UNIX and Windows operating systems.

Hanson, Andrew J.↗
NASA NTRS2020

RMIT AR Android Application Abstract

This summer, I've worked as an intern for IT-C1's Rapid Model Import Tool (RMIT) project under Bill Little. The goal of this project was to develop a mobile application for IT-C1's larger project, RMIT, so that it could be deployed in a convenient way. The current function of RMIT is to import file types that are not normally compatible with the Unity 3D software development engine and make them into files that can be placed into Unity for the specific purpose of viewing CAD models in virtual reality (VR). The mobile application that I worked on uses augmented reality (AR), using the camera on a mobile device, to show virtual models in the real world for the purpose of visualization and understanding. In addition to single-player capabilities, this application will include a multi-player mode so that collaborating engineers can see each other's work on their own devices.Working on this application required many steps. First, I hard to learn a lot about how mobile development is different from desktop development, and what the limitations of augmented reality are at its current state. From there, I was assigned new tasks and goals every two weeks, which included addingground plane and air plane functionality, designing a user interface, adding multi-player capability and allowing the user to manipulate models placed in a scene.

Dorian Thompson↗
NASA NTRSDate not supplied

Cross-Validation of Computational and Experimental Distributed Surface Pressures on the Space Launch System

This paper presents a new workflow for comparing experimental pressure-sensitive paint (PSP) data to computational fluid dynamic (CFD) simulations by way of mapping data from corresponding grids utilizing interpolation methods. In addition to generating quantitative and qualitative point-to-point comparisons between PSP and CFD data, this workflow extracts sectional loading data from both grids and generates lineload comparison charts for corresponding PSP and CFD runs. Experimental PSP data presented in this paper were taken from a 2016 NASA Ames Research Center Unitary Plan Wind Tunnel 11- by 11-Foot Transonic WindTunnel Facility test of the NASA Space Launch System. CFD simulation data for comparison purposes were generated using the FUN3D code. Overall, interpolation onto PSP grids versus CFD grids yields comparable surface pressure fields. However, lineload comparisons are easier to make on the CFD grid-mapped data due to the grid topology and the current capabilities of the lineload analysis tools at NASA Langley Research Center. This workflow is written using contemporary software (Python, Tecplot, PyTecplot), is compatible with existing tools at NASA Langley, and is developed to be adaptable depending on the situation.

SLS↗
NASA NTRS1987

Interface for a Multiple-User Computer System

Diverse hardware and software connected with minimal inconvenience to users. Central controller for large multiple-user computer network makes various computer services compatible regardless of diversity of hardware and software. Users readily gain access to host computer and other terminals and services. Need be familiar only with language and procedures of their own terminals, even when communicating with normally incompatible services or users.

Headley, Paul A.↗
NASA NTRS1995

Conversion of the Aerodynamic Preliminary Analysis System (APAS) to an IBM PC Compatible Format

The conversion of the Aerodynamic Preliminary Analysis System (APAS) software from a Silicon Graphics UNIX-based platform to a DOS-based IBM PC compatible is discussed. Relevant background information is given, followed by a discussion of the steps taken to accomplish the conversion and a discussion of the type of problems encountered during the conversion. A brief comparison of aerodynamic data obtained using APAS with data from another source is also made.

Kruep, John M.↗