Frame Transformation Methods for Open-Shell Systems: Photoabsorption of Ni14+
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Felfli, Z.↗
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An Extended Ab Initio and Theoretical Thermodynamics Studies of the Bergman Reaction and the Energy Splitting of the Singlet Ortho-, Meta-, and Para-Benzynes
The autoaromatization of (Z)-hex-3-ene-1,5-diyne to the singlet biradical para-benzyne has been reinvestigated by state of the art ab initio methods. Previous CCSD(T)/6-31G(d,p) and CASPT2[0]/ANO[C(5s4p2d1f)/H(3s2p)] calculations estimated the the reaction heat at 298 K to be 8-10 and 4.9 plus or minus 3.2 kcal/mol, respectively. Recent NO- and oxygen-dependent trapping experiments and collision-induced dissociation threshold energy experiments estimate the heat of reaction to be 8.5 plus or minus 1.0 at 470 K (recomputed to 9.5 plus or minus 1.0 at 298 K) and 8.4 plus or minus 3.0 kcal/mol at 298 K, respectively. New theoretical estimates at 298 K predict the values at the basis set limit for the CCSD(T) and CASPT2(g1) methods to be 12.7 plus or minus 2.0 and 5.4 plus or minus 2.0 kcal/mol, respectively. The experimentally predicted electronic contribution to the heat of activation is 28.6 kcal/mol. This can be compared with 25.5 and 29.8 kcal/mol from the CASPT2[g1] and the CCSD(T) methods, respectively. The new study has in particular improved on the one-particle basis set for the CCSD(T) method as compared to earlier studies. For the CASPT2 investigation the better suited CASPT2[g1] approximation is utilized. The original CASPT2 method, CASPT2[0], systematically favors open shell systems relative to closed shell systems. This was previously corrected empirically. The study shows that the energy difference between CCSD(T) and CASPT2[g1] at the basis set limit is estimated to be 7 plus or minus 2 kcal/mol. The study also demonstrates that the estimated heat of reaction is very sensitive to the quality of the basis set.
Lindh, Roland↗
Correlation energy of two-electron systems.
Correlated closed- and open-shell functions considering 1/Z expansion for obtaining corresponding first-order wave functions and second-order energy
ANGULAR CORRELATION↗
An expert system for planning and scheduling in a telerobotic environment
A knowledge based approach to assigning tasks to multi-agents working cooperatively in jobs that require a telerobot in the loop was developed. The generality of the approach allows for such a concept to be applied in a nonteleoperational domain. The planning architecture known as the task oriented planner (TOP) uses the principle of flow mechanism and the concept of planning by deliberation to preserve and use knowledge about a particular task. The TOP is an open ended architecture developed with a NEXPERT expert system shell and its knowledge organization allows for indirect consultation at various levels of task abstraction. Considering that a telerobot operates in a hostile and nonstructured environment, task scheduling should respond to environmental changes. A general heuristic was developed for scheduling jobs with the TOP system. The technique is not to optimize a given scheduling criterion as in classical job and/or flow shop problems. For a teleoperation job schedule, criteria are situation dependent. A criterion selection is fuzzily embedded in the task-skill matrix computation. However, goal achievement with minimum expected risk to the human operator is emphasized.
Ntuen, Celestine A.↗
Influence of the rigidity of transverse diaphragms on the temperature stresses in thin-walled systems /shells/
Influence of transverse diaphragm rigidity on temperature stresses in thin walled bars and shells of closed and open profile
STRUCTURAL RIGIDITY↗
XCN, X = Ag, Cu and Ni, a model for CN on a metal surface
The bonding between the CN radical and the metal atom is a highly polarized single sigma bond involving the coupling of the CN 5 sigma open shell orbital to the metal ns valence orbital. The bonding is very similar in all three systems and has very little d involvement. The derivative of the dipole moment with respect to R(CN) is found to be much smaller than for free CN, leading to a predicted decreased intensity of CN vibrational transitions for the chemisorbed species.
Bauschlicher, C. W., Jr.↗
Open Architecture Data System for NASA Langley Combined Loads Test System
The Combined Loads Test System (COLTS) is a new structures test complex that is being developed at NASA Langley Research Center (LaRC) to test large curved panels and cylindrical shell structures. These structural components are representative of aircraft fuselage sections of subsonic and supersonic transport aircraft and cryogenic tank structures of reusable launch vehicles. Test structures are subjected to combined loading conditions that simulate realistic flight load conditions. The facility consists of two pressure-box test machines and one combined loads test machine. Each test machine possesses a unique set of requirements or research data acquisition and real-time data display. Given the complex nature of the mechanical and thermal loads to be applied to the various research test articles, each data system has been designed with connectivity attributes that support both data acquisition and data management functions. This paper addresses the research driven data acquisition requirements for each test machine and demonstrates how an open architecture data system design not only meets those needs but provides robust data sharing between data systems including the various control systems which apply spectra of mechanical and thermal loading profiles.
Lightfoot, Michael C.↗
The Cam Shell: An Innovative Design With Materials and Manufacturing
Most of the personal audio and video recording devices currently sold on the open market all require hands to operate. Little consideration was given to designing a hands-free unit. Such a system once designed and made available to the public could greatly benefit mobile police officers, bicyclists, adventurers, street and dirt motorcyclists, horseback riders and many others. With a few design changes water sports and skiing activities could be another large area of application. The cam shell is an innovative design in which an audio and video recording device (such as palm camcorder) is housed in a body-mounted protection system. This system is based on the concept of viewing and recording at the same time. A view cam is attached to a helmet wired to a recording unit encased in a transparent body-mounted protection system. The helmet can also be controlled by remote. The operator will have full control in recording everything. However, the recording unit will be operated completely hands-free. This project will address the design considerations and their effects on material selection and manufacturing. It will enhance the understanding of the structure of materials, and how the structure affects the behavior of the material, and the role that processing play in linking the relationship between structure and properties. A systematic approach to design feasibility study, cost analysis and problem solving will also be discussed.
Chung, W. Richard↗
Software Tool for Tracking & Mapping the NASA Orion AA-2 Test Flight Ejectable Data Recorders in Real Time
On 2 July 2019, the NASA Ascent Abort 2 flight took place off the Florida coast to test the emergency systems to separate the Orion Crew Module (CM) from the future Space Launch System rocket in the event of a malfunction. During this high-altitude test, instrumentation data was recorded on twelve customized buoyant Ejectable Data Recorders (EDRs) and subsequently jettisoned from the CM in mid-air. Upon release, the EDRs activated their GPS-Iridium beacon systems and began transmitting Short Burst Data (SBD) messages via the Iridium satellite network to relay their individual location and system health information. To locate, track and retrieve each EDR from the ocean surface in real-time, multiple open-source programming tools (Python and Linux shells) were developed for parsing the incoming Iridium binary SBD messages. For this, a Linux laptop was used to receive the Iridium-generated emails containing the SBD messages and autonomously execute the parsing tools. The received SBD data contained location, timestamp and health status information that was translated, saved, and subsequently used for simultaneously generating a continuously updated color-coded tabular display summary and unique KML files used with Google Earth to track their locations. Once their locations were known, dedicated recovery vessels retrieved all EDRs from the ocean. An additional tool was also developed in order to generate 5- and 10-minute geolocation predictions for each EDR by deriving the displacement distance, elapsed time, displacement heading and velocity based on the latest known information available. The recovery vessels were also tracked with the use of a separate commercial GPS beacon system. After jettison, 67% of the EDRs transmitted valid data by the time they were retrieved from the ocean. However, the real-time information presented by the plotting tool allowed for the ready depiction of EDR dispersal patterns and reference drift trajectories, which contributed to the recovery of all twelve EDRs and the AA-2 flight data. Lastly, the available data showed that the distance between the software’s reported drift/predicted locations and the recovery locations did not exceed 38 meters, therefore demonstrating the advantages of this software tool for supporting real-time tracking and recovery efforts of beacon devices.
Moxey, Lucas↗
Design and Development of Lightweight Composite Tanks for the Mars Ascent Propulsion Technology
The investigation presented here focuses on the design and development of lightweight composite tanks for the Mars ascent propulsion technology. The proposed tanks are fabricated using the filament winding technique. The tanks will be used in the experimental permeability characterization of composite pressure vessels pressurized using cryogenic and kerosene fluids. We considered the geometry and composite material tailorability in the preliminary design formulation to obtain an isotensoid tank. The design formulation is based on membrane shell analysis. The tanks also include circular openings at the apex of the end caps for the installation of polar bosses. The development of a polar boss system was also investigated, and led to an innovative polar boss system that applies a uniform pressure on the o-ring gaskets. The permeability of these tanks was also considered and recommendations for improvement are presented.
Estrada, Hector↗
Development and Implementation of Dynamic Scripts to Execute Cycled WRF/GSI Forecasts
Automating the coupling of data assimilation (DA) and modeling systems is a unique challenge in the numerical weather prediction (NWP) research community. In recent years, the Development Testbed Center (DTC) has released well-documented tools such as the Weather Research and Forecasting (WRF) model and the Gridpoint Statistical Interpolation (GSI) DA system that can be easily downloaded, installed, and run by researchers on their local systems. However, developing a coupled system in which the various preprocessing, DA, model, and postprocessing capabilities are all integrated can be labor-intensive if one has little experience with any of these individual systems. Additionally, operational modeling entities generally have specific coupling methodologies that can take time to understand and develop code to implement properly. To better enable collaborating researchers to perform modeling and DA experiments with GSI, the Short-term Prediction Research and Transition (SPoRT) Center has developed a set of Perl scripts that couple GSI and WRF in a cycling methodology consistent with the use of real-time, regional observation data from the National Centers for Environmental Prediction (NCEP)/Environmental Modeling Center (EMC). Because Perl is open source, the code can be easily downloaded and executed regardless of the user's native shell environment. This paper will provide a description of this open-source code and descriptions of a number of the use cases that have been performed by SPoRT collaborators using the scripts on different computing systems.
Zavodsky, Bradley↗
Automated Euler and Navier-Stokes Database Generation for a Glide-Back Booster
The past two decades have seen a sustained increase in the use of high fidelity Computational Fluid Dynamics (CFD) in basic research, aircraft design, and the analysis of post-design issues. As the fidelity of a CFD method increases, the number of cases that can be readily and affordably computed greatly diminishes. However, computer speeds now exceed 2 GHz, hundreds of processors are currently available and more affordable, and advances in parallel CFD algorithms scale more readily with large numbers of processors. All of these factors make it feasible to compute thousands of high fidelity cases. However, there still remains the overwhelming task of monitoring the solution process. This paper presents an approach to automate the CFD solution process. A new software tool, AeroDB, is used to compute thousands of Euler and Navier-Stokes solutions for a 2nd generation glide-back booster in one week. The solution process exploits a common job-submission grid environment, the NASA Information Power Grid (IPG), using 13 computers located at 4 different geographical sites. Process automation and web-based access to a MySql database greatly reduces the user workload, removing much of the tedium and tendency for user input errors. The AeroDB framework is shown. The user submits/deletes jobs, monitors AeroDB's progress, and retrieves data and plots via a web portal. Once a job is in the database, a job launcher uses an IPG resource broker to decide which computers are best suited to run the job. Job/code requirements, the number of CPUs free on a remote system, and queue lengths are some of the parameters the broker takes into account. The Globus software provides secure services for user authentication, remote shell execution, and secure file transfers over an open network. AeroDB automatically decides when a job is completed. Currently, the Cart3D unstructured flow solver is used for the Euler equations, and the Overflow structured overset flow solver is used for the Navier-Stokes equations. Other codes can be readily included into the AeroDB framework.
Chaderjian, Neal M.↗
Pressure Shell Approach to Integrated Environmental Protection
The next generation of exploration mission human systems will require environmental protection such as radiation protection that is effective and efficient. In order to continue human exploration, habitat systems will require special shells to protect astronauts from hostile environments. The Pressure Shell Approach to integrated environmental (radiation) protection is a multi-layer shell that can be used for multifunctional environmental protection. Self-healing, self-repairing nano technologies and sensors are incorporated into the shell. This shell consists of multiple layers that can be tailored for specific environmental protection needs. Mainly, this innovation focuses on protecting crew from exposure to micrometeorites, thermal, solar flares, and galactic cosmic ray (GCR) radiation. The Pressure Shell Approach consists of a micrometeoroid and secondary ejecta protection layer; a thin, composite shell placed in between two layers that is non-structural; an open cavity layer that can be filled with water, regolith, or polyethylene foam; a thicker composite shell that is a structural load bearing that is placed between two layers; and a bladder coating on the interior composite shell. This multi-layer shell creates an effective radiation protection system. Most of its layers can be designed with the materials necessary for specific environments. In situ materials such as water or regolith can be added to the shell design for supplemental radiation protection.
Kennedy, Kriss J.↗
Pyrolaser Operating System
Software provides for control and acquisition of data from optical pyrometer. There are six individual programs in PYROLASER package. Provides quick and easy way to set up, control, and program standard Pyrolaser. Temperature and emisivity measurements either collected as if Pyrolaser in manual operating mode or displayed on real-time strip charts and stored in standard spreadsheet format for posttest analysis. Shell supplied to allow macros, which are test-specific, added to system easily. Written using Labview software for use on Macintosh-series computers running System 6.0.3 or later, Sun Sparc-series computers running Open-Windows 3.0 or MIT's X Window System (X11R4 or X11R5), and IBM PC or compatible computers running Microsoft Windows 3.1 or later.
Roberts, Floyd E., III↗
SuperHERO (Super - High Energy Replicated Optics) Balloon Mission Concept
The SuperHERO hard-x-ray telescope is a proposed high-angular resolution successor to Marshall Space Flight Center’s (MSFC) successful High Energy Replicated Optic (HERO) and the HERO to Explore the Sun (HEROES) balloon missions. By utilizing recent advancements in MSFC’s replicated full shell, NiCo x-ray optic technology, SuperHERO will achieve its technical goal of demonstrating better than 10 arcseconds (arcsecs) angular resolution in half-power diameter (HPD) on a balloon platform. This represents a 6-fold improvement to the current state-of-the-art resolution for hard-x-ray, astrophysical telescopes and will allow for the observation of the high-energy-universe in unprecedented spatial detail. The SuperHERO balloon observatory will consist of seven coaligned, identical telescopes with a total focal length of 12-meters. Each telescope will pair a Mirror Module Assembly (MMA) comprised of NiCo shell optics matched to a CdTe Double-sided Strip Detector (CdTe-DSD) plane provided by iMAGINE-X Inc. and Kavli Institute for the Physics and Mathematics of the Universe (Kavli-IPMU). Iridium coating applied directly to each shell will boost reflectivity into the hard-x-ray regime. Employing additional high-heritage technology, SuperHERO will have an open-truss carbon-composite gondola similarly used on the XL-Calibur balloon mission and will use the Wallops Arc-Second Pointer (WASP) system for attitude control
NickThomas↗
Low heat leak connector for cryogenic system
Heat leak from the surrounding atmosphere during fluid transfer from a spaced shell-insulated vessel for storing liquified gas having an upper gaseous phase, in minimized by forming a relatively wide, shallow blister on the wall of the vessel at the point of transfer line connection. The shell and the opposed walls of the blister have aligned openings whose common axis passes centrally through the blister and is normal to the surfaces of the vessel and shell. A fluid transfer line conduit passing through the shell opening is in fluid-tight connection with the shell and blister wall. The fluid transfer line confines the fluid in a continuous stream. The blister is filled with a heat insulating material which provides a thermal break between the central wall portions of the blister. A connector at the bottom of the vessel comprises a tube extending between the openings in the blister which projects a short distance within the body of liquefied gas and terminates in a reverse bend to prevent backflow of liquid through the pipe.
Stelts, P. D.↗
Outer atmospheric research
The region above the earth from about 90 km to 150 km is a major part of the upper or outer atmosphere. It is relatively unexplored, being too high for balloons or aircraft and too low for persistent orbiting spacecraft. However, the concept of a tethered subsatellite, deployed downward from an orbiting, more massive craft such as the Space Shuttle, opens the possibility of a research capability that could provide global mapping of this region. The need for research in this thick spherical shell above the earth falls into two major categories: (1) scientific data for understanding and modeling the global atmosphere and thereby determining its role in the earth system, and (2) engineering data for the design of future aerospace vehicles that will operate there. This paper presents an overview and synthesis of the currently perceived research needs and the state-of-the-art of the proposed tethered research capability.
Anderson, John L.↗
Proposal for a CLIPS software library
This paper is a proposal to create a software library for the C Language Integrated Production System (CLIPS) expert system shell developed by NASA. Many innovative ideas for extending CLIPS were presented at the First CLIPS Users Conference, including useful user and database interfaces. CLIPS developers would benefit from a software library of reusable code. The CLIPS Users Group should establish a software library-- a course of action to make that happen is proposed. Open discussion to revise this library concept is essential, since only a group effort is likely to succeed. A response form intended to solicit opinions and support from the CLIPS community is included.
Porter, Ken↗