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At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Components of the Bond Energy in Polar Diatomic Molecules, Radicals, and Ions Formed by Group-1 and Group-2 Metal Atoms

While many transition metal complexes are known to have high multireference character, the multireference character of main-group closed-shell singlet diatomic molecules like BeF, CaO, and MgO has been less studied. Yet, many group-1 and group-2 diatomic molecules do have multireference character, and they provide informative systems for studying multireference character because they are simpler than transition metal compounds. The goal of the present work is to understand these multireference systems better so that, ultimately, we can apply what we learn to more complicated multireference systems and to the design of new exchange-correlation functionals for treating multireference systems more adequately. Fourteen main-group diatomic molecules and one triatomic molecule (including radicals, cations, and anions, as well as neutral closed-shell species) have been studied for this article. Eight of these molecules contain a group-1 element, and six contain a group-2 element. Seven of these molecules are multireference systems, and eight of them are single-reference systems. Fifty-three exchange-correlation functionals of 11 types [local spin-density approximation (LSDA), generalized gradient approximation (GGA), nonseparable gradient approximation (NGA), global-hybrid GGA, meta-GGA, meta-NGA, global-hybrid meta GGA, range-separated hybrid GGA, range-separated hybrid meta-GGA, range-separated hybrid meta-NGA, and DFT augmented with molecular mechanics damped dispersion (DFT-D)] and the Hartree–Fock method have been applied to calculate the bond distance, bond dissociation energy (BDE), and dipole moment of these molecules. All of the calculations are converged to a stable solution by allowing the symmetry of the Slater determinant to be broken. A reliable functional should not only predict an accurate BDE but also predict accurate components of the BDE, so each bond dissociation energy has been decomposed into ionization potential (IP) of the electropositive element, electron affinity of the electronegative bonding partner (EA), atomic excitation energy (EE) to prepare the valence states of the interacting partners, and interaction energy (IE) of the valence-prepared states. Adding Hartree–Fock exchange helps to obtain better results for atomic excitation energy, and this leads to improvements in getting the right answer for the right reason. The following functionals are singled out for reasonably good performance on all three of bond distance, BDE, and dipole moment: B97-1, B97-3, MPW1B95, M05, M06, M06-2X, M08-SO, N12-SX, O3LYP, TPSS, τ-HCTHhyb, and GAM; all but two (TPSS and GAM) of these functionals are hybrid functionals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Can Kohn–Sham density functional theory predict accurate charge distributions for both single-reference and multi-reference molecules?

Dipole moments are the first moment of electron density and are fundamental quantities that are often available from experiments. An exchange–correlation functional that leads to an accurate representation of the charge distribution of a molecule should accurately predict the dipole moments of the molecule. It is well known that Kohn–Sham density functional theory (DFT) is more accurate for the energetics of single-reference systems than for the energetics of multi-reference ones, but there has been less study of charge distributions. Here, in this work, we benchmark 48 density functionals chosen with various combinations of ingredients, against accurate experimental data for dipole moments of 78 molecules, in particular 55 single-reference molecules and 23 multi-reference ones. We chose both organic and inorganic molecules, and within the category of inorganic molecules there are both main-group and transition-metal-containing molecules, with some of them being multi-reference. As one would expect, the multi-reference molecules are not as well described by single-reference DFT, and the functionals tested in this work do show larger mean unsigned errors (MUEs) for the 23 multi-reference molecules than the single-reference ones. Five of the 78 molecules have relatively large experimental error bars and were therefore not included in calculating the overall MUEs. For the 73 molecules not excluded, we find that three of the hybrid functionals, B97-1, PBE0, and TPSSh (each with less than or equal to 25% Hartree–Fock (HF) exchange), the range-separated hybrid functional, HSE06 (with HF exchange decreasing from 25% to 0 as interelectronic distance increases), and the hybrid functional, PW6B95 (with 28% HF exchange) are the best performing functionals with each yielding an MUE of 0.18 D. Perhaps the most significant finding of this study is that there exists great similarity among the success rate of various functionals in predicting dipole moments. In particular, of 39 functionals designed as general-purpose functionals and that do not have a global value of 100% HF exchange, the average MUE is 0.23 D, with a standard deviation of only 0.04 D. Among gradient approximations, which are especially interesting because of their speed and portability, the best overall performance is by PBE, HCTH/407, OLYP, OreLYP, and GAM, each with MUE of 0.22 D.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1972

Space shuttle: A comparison of wind tunnel facility data on the Grumman H-33 delta winged orbiter

A comparison of longitudinal and lateral directional stability and control characteristics of the Phase B Grumman H-33 orbiter configuration obtained from 6 tests conducted in 4 different facilities is presented. The H-33 orbiter configuration does not include drop tanks. Slope data are used as the medium for comparison. The slope data were computed using the SADSAC system and have been reduced to a common reference system. Data used for comparison were selected based on common configurations wherever possible. Where direct configuration comparisons were not possible, the parameters selected for comparison are regarded as insensitive to the noted differences. Factors considered in comparing the various data were scaling effects, balance operating ranges, balance sensitivities and control deflection accuracies. All factors considered, the comparison among data obtained from the various facilities is excellent. The minor differences in stability and control characteristics are well within the accuracy band of preliminary design model construction specifications.

Gyorfi, R. A.↗
NASA NTRS1979

Microwave system performance for a solar power satellite during startup/shutdown operations

The paper investigates the system performance and antenna characteristics under startup/shutdown conditions for the high power beam from a solar power satellite. Attention is given to the present microwave system reference configuration together with the dc power distribution system in the solar array and in the antenna. The pattern characteristics for the main beam, sidelobes, and grating lobes are examined for eight types of energizing configurations which include: random sequences, two types of concentric circles, and three types of line strips. In conclusion, it is noted that a proper choice of sequences should not cause environmental problems due to increased microwave radiation levels during the short time periods of energizing and de-energizing the antenna.

Arndt, G. D.↗
NASA NTRS1980

Self-replicating systems: A systems engineering approach

A first approach to conceptualize self-replicating systems was developed from past and present abstract theories. The engineering elements of self-replicating systems are defined in terms of a basic reference system. A number of options are investigated. The growth characteristics and their problems are analyzed, the mathematics of various exponential growth options are outlined, and the problems of universal parts production and systems closure are discussed. Selected areas of further study are defined and a 20 year development and demonstration program is presented.

Vontiesenhausen, G.↗
NASA NTRS1991

Lunar rovers and local positioning system

Telerobotic rovers equipped with adequate actuators and sensors are clearly necessary for extraterrestrial construction. They will be employed as substitutes for humans, to perform jobs like surveying, sensing, signaling, manipulating, and the handling of small materials. Important design criteria for these rovers include versatility and robustness. They must be easily programmed and reprogrammed to perform a wide variety of different functions, and they must be robust so that construction work will not be jeopardized by parts failures. The key qualities and functions necessary for these rovers to achieve the required versatility and robustness are modularity, redundancy, and coordination. Three robotic rovers are being built by CSC as a test bed to implement the concepts of modularity and coordination. The specific goal of the design and construction of these robots is to demonstrate the software modularity and multirobot control algorithms required for the physical manipulation of constructible elements. Each rover consists of a transporter platform, bus manager, simple manipulator, and positioning receivers. These robots will be controlled from a central control console via a radio-frequency local area network (LAN). To date, one prototype transporter platform frame was built with batteries, motors, a prototype single-motor controller, and two prototype internal LAN boards. Software modules were developed in C language for monitor functions, i/o, and parallel port usage in each computer board. Also completed are the fabrication of half of the required number of computer boards, the procurement of 19.2 Kbaud RF modems for inter-robot communications, and the simulation of processing requirements for positioning receivers. In addition to the robotic platform, the fabrication of a local positioning system based on infrared signals is nearly completed. This positioning system will make the rovers into a moving reference system capable of performing site surveys. In addition, a four degree mechanical manipulator especially suited for coordinated teleoperation was conceptually designed and is currently being analyzed. This manipulator will be integrated into the rovers as their end effector. Twenty internal LAN cards fabricated by a commercial firm are being used, a prototype manipulator and a range finder for a positioning system were built, a prototype two-motor controller was designed, and one of the robots is performing its first telerobotic motion. In addition, the robots' internal LAN's were coordinated and tested, hardware design upgrades based on fabrication and fit experience were completed, and the positioning system is running. The rover system is able to perform simple tasks such as sensing and signaling; coordination systems which allow construction tasks to begin were established, and soon coordinated teams of robots in the laboratory will be able to manipulate common objects.

Avery, James↗
NASA NTRS2010

C-Band Airport Surface Communications System Standards Development, Phase I

This document is being provided as part of ITT's NASA Glenn Research Center Aerospace Communication Systems Technical Support (ACSTS) contract NNC05CA85C, Task 7: "New ATM Requirements--Future Communications, C-Band and L-Band Communications Standard Development." The proposed future C-band (5091- to 5150-MHz) airport surface communication system, referred to as the Aeronautical Mobile Airport Communications System (AeroMACS), is anticipated to increase overall air-to-ground data communications systems capacity by using a new spectrum (i.e., not very high frequency (VHF)). Although some critical services could be supported, AeroMACS will also target noncritical services, such as weather advisory and aeronautical information services as part of an airborne System Wide Information Management (SWIM) program. AeroMACS is to be designed and implemented in a manner that will not disrupt other services operating in the C-band. This report defines the AeroMACS concepts of use, high-level system requirements, and architecture; the performance of supporting system analyses; the development of AeroMACS test and demonstration plans; and the establishment of an operational AeroMACS capability in support of C-band aeronautical data communications standards to be advanced in both international (International Civil Aviation Organization, ICAO) and national (RTCA) forums. This includes the development of system parameter profile recommendations for AeroMACS based on existing Institute of Electrical and Electronics Engineering (IEEE) 802.16e- 2009 standards

Hall, Edward↗
NASA NTRS1980

Performance analysis and simulation of the SPS reference phase control system

Key results pertinent to the SPS reference phase control system design are summarized. These results are a consequence of extensive system engineering tradeoffs provided via mathematical modeling, optimization, analysis and the development/utilization of a computer simulation tool called SOLARSIM.

Lindsey, W. C.↗
DOE OSTI2018

New Possibilities of Positron-Emission Tomography

The reasons for the emergence of the angular distribution of photons generated as a result of annihilation of an electron and a positron in a positron-emission tomograph are investigated. It is shown that the angular distribution of the radiation intensity (i.e., the probability of photon emission at different angles) is a consequence of the Doppler effect in the center-of-mass reference system of the electron and the positron. In the reference frame attached to the electron, the angular distribution of the number of emitted photons does not exists but is replaced by the Doppler shift of the frequency of photons. The results obtained in this study make it possible to extend the potentialities of the positron-emission tomograph in the diagnostics of diseases and to obtain additional mechanical characteristics of human tissues, such as density and viscosity.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
NASA NTRSDate not supplied

Performance Testing of TRL4-6 LISA Laser System

The Laser Interferometer Space Antenna (LISA) is an ESA-led future mission to measure gravitational waves from astronomical sources in space. LISA has been adopted as a formal mission by ESA in January 2024, and is expected to become a formal project at NASA within 2024. The laser system (LS), which includes four laser heads (LH) each containing a laser optical module (LOM) and laser electronics module (LEM), a frequency reference system (FRS, optical frequency reference) and four power monitor detectors (PMON), is one of the three U.S. contributions to LISA from NASA. The Lasers and Electro-Optics Branch at NASA GSFC has been developing and managing the design of the LISA LS. Currently, the TRL (technology readiness level) of the NASA LISA laser system is transitioning from 4 to 6. TRL 4/5 LISA LOM was sent to ESA in early 2023 and has undergone optical performance testing. [1] By late summer of 2024, NASA plans to deliver the TRL 6 LOM to ESA for performance evaluation. Since the delivery of the TRL4/5 LOM to ESA, we have taken steps to advance the TRL of the overall LS and have also started end-to-end system level testing involving other subsystems. They include 1) optical performance test of TRL6 LOM and TRL 5 LEM under thermal cycling, 2) end-to-end test of the laser head (LH) and the GSE (ground support equipment) FRS, driven by TRL 4 FRS electronics (FRS-E) provided by Ball Aerospace, 3) end-to-end test of the laser head (LH) with the GSE phase meter system (PMS) provided by Albert Einstein Institute, and 4) optical performance test of the LH with the PMON subsystem developed by NASA. The FRS, PMS, and PMON provide necessary frequency stability, relative phase stability between lasers, and output power stability, respectively. Since they are all vital for the sensitive laser interferometry performed in LISA, it is necessary to perform these system level testing by combining the LH and other subsystems, and to prove the optical performance at an early stage during the LS development. Our recent work has successfully demonstrated the intra-connectivity of the LS, as well as critical external interface with the PMS to meet the LISA’s performance requirements. In this talk, we will report on the latest status of the LH testing and system level test. We will also discuss the paths to bring each subsystem to TRL6+ and plans for future system level testing.

LISA↗
NASA NTRS1978

Five years in the life of an inertial system operating in orbit

The paper describes the in-orbit performance of the gyroscopes and strapdown attitude reference system for the OAO-C (Copernicus) satellite, launched on Aug. 21, 1972. In order to fulfill NASA requirements, the inertial system had to: (1) operate for at least one year in orbit without failure, (2) maintain an inertial reference with an uncertainty of 50 microradians or less for at least one hour, and (3) control attitude changes with an accuracy of at least 30 parts per million. During the orbit period, the inertial system has demonstrated a capability for maintaining an inertial reference that is significantly better than these performance goals.

Harris, R. A.↗
NASA NTRS2015

Spherical Coordinate Systems for Streamlining Suited Mobility Analysis

Introduction: When describing human motion, biomechanists generally report joint angles in terms of Euler angle rotation sequences. However, there are known limitations in using this method to describe complex motions such as the shoulder joint during a baseball pitch. Euler angle notation uses a series of three rotations about an axis where each rotation is dependent upon the preceding rotation. As such, the Euler angles need to be regarded as a set to get accurate angle information. Unfortunately, it is often difficult to visualize and understand these complex motion representations. It has been shown that using a spherical coordinate system allows Anthropometry and Biomechanics Facility (ABF) personnel to increase their ability to transmit important human mobility data to engineers, in a format that is readily understandable and directly translatable to their design efforts. Objectives: The goal of this project was to use innovative analysis and visualization techniques to aid in the examination and comprehension of complex motions. Methods: This project consisted of a series of small sub‐projects, meant to validate and verify a new method before it was implemented in the ABF's data analysis practices. A mechanical test rig was built and tracked in 3D using an optical motion capture system. Its position and orientation were reported in both Euler and spherical reference systems. In the second phase of the project, the ABF estimated the error inherent in a spherical coordinate system, and evaluated how this error would vary within the reference frame. This stage also involved expanding a kinematic model of the shoulder to include the rest of the joints of the body. The third stage of the project involved creating visualization methods to assist in interpreting motion in a spherical frame. These visualization methods will be incorporated in a tool to evaluate a database of suited mobility data, which is currently in development. Results: Initial results demonstrated that a spherical coordinate system is helpful in describing and visualizing the motion of a space suit. The system is particularly useful in describing the motion of the shoulder, where multiple degrees of freedom can lead to very complex motion paths.

Benson, Elizabeth↗
DOE OSTI2014

Remote Attenuation System: Target Diagnostics

This document describes the systems engineering process and results performed for the Remote Attenuation System (RAS) to be implemented on the target diagnostics of the National Ignition Facility at the Lawrence Livermore National Laboratory. The mission of operational cost reduction is discussed in Section 2, along with the identification of stakeholders and their expectations of what the new system be. In Section 3, we identify the existing reference system, that which needs to be replaced or upgraded. Also defined is the boundary of the new system to be designed. Section 4 highlights the key system drivers and constraints, and Section 5 details a number of operational scenarios and use cases that will be used to inform system requirements. In Section 6, we present a Quality Function Deployment matrix that then drives a number of implementation concepts. A trade study is used to identify the concept that best meets expectations and constraints. In Section 7, we propose a system architecture and define requirements. We further evaluate the market for off-the-shelf solutions that fit our proposed system architecture. In Sections 8 and 9, we present the proposed systems impact or our organization and perform a risk assessment.

42 ENGINEERING↗
DOE OSTI2022

Probabilistic Cloud Optimized Day-Ahead Forecasting System Based on WRF-Solar (Final Report)

The most persistent challenge in both intraday and day-ahead solar forecasting is to get numerical weather prediction models to produce the right type of clouds with the right frequency at the right time and place. Another challenge is to understand and communicate the forecast uncertainty. The objective of this project was to develop an optimized ensemble-based solar irradiance forecasting system that will (1) demonstrably improve the current state-of-the-art solar forecasts from the deterministic Weather Research and Forecasting-Solar (WRF-Solar) model and (2) provide probabilistic forecasts for grid operations. This probabilistic solar forecasting system, referred to as the WRF-Solar Ensemble Prediction System (WRF-Solar EPS), aims to significantly enhance both the intraday and the day-ahead solar forecasting capability for grid operations. This technical report summarizes the work performed in the past 3 years through a collaboration between the National Renewable Energy Laboratory and the National Center for Atmospheric Research as part of the U.S. Department of Energy's Solar Forecasting 2 program that aims to improve the accuracy of solar energy forecasts and enable increased deployment of solar energy on the electric grid.

14 SOLAR ENERGY↗
DOE OSTI2025

Evaluation of a 5kW Solid Oxide Electrolysis Cell Stack

Solid oxide electrolysis cells (SOECs) are a developing technology for hydrogen production. They are promising due to their utilization of thermal energy to reduce their electricity consumption. The Department of Energy (DOE) has set goals to reduce the price per kilogram of hydrogen, and Idaho National Laboratory (INL) is conducting research to develop and demonstrate advanced methods and technologies to achieve making hydrogen a more affordable, efficient, and sustainable energy source. In this project, INL is collaborating with a vendor to evaluate and validate the design of a 5kW SOEC stack. The test aims to demonstrate a safe startup, operation, and shutdown on INL’s 5kW test stand, providing third-party validation in a different environment. A successful 50-hour test with stable hydrogen production will pave the way for a subsequent 1000-hour test. This project emphasized learning about electrolysis and the various support systems, referred to as balance of plant (BOP) equipment. These systems required modification while swapping to the vendor 5kW SOEC stack, most prominently the furnace door design and the controls system. It also included gaining skills in creating computer-aided design (CAD) drawings for the new door while using available materials and ensuring it met high-temperature requirements. Upon completion of modifications to the test stand, the SOEC will be test-fitted with respective wiring and piping. Instrumentation and piping will be checked for leaks and quality. This must be completed before the vendor’s engineers arrive to observe the test plan, startup, and a collection of 50 hours of data. The vendor’s engineers will ensure their stack performed sufficiently in the 50-hour test to enable the progression to a 1000-hour test.

08 - HYDROGEN↗
DOE OSTI2017

Verification of Energy Reduction Effect through Control Optimization of Supply Air Temperature in VRF-OAP System

This paper developed an algorithm that controls the supply air temperature in the variable refrigerant flow (VRF), outdoor air processing unit (OAP) system, according to indoor and outdoor temperature and humidity, and verified the effects after applying the algorithm to real buildings. The VRF-OAP system refers to a heating, ventilation, and air conditioning (HVAC) system to complement a ventilation function, which is not provided in the VRF system. It is a system that supplies air indoors by heat treatment of outdoor air through the OAP, as a number of indoor units and OAPs are connected to the outdoor unit in the VRF system simultaneously. This paper conducted experiments with regard to changes in efficiency and the cooling capabilities of each unit and system according to supply air temperature in the OAP using a multicalorimeter. Based on these results, an algorithm that controlled the temperature of the supply air in the OAP was developed considering indoor and outdoor temperatures and humidity. The algorithm was applied in the test building to verify the effects of energy reduction and the effects on indoor temperature and humidity. Loads were then changed by adjusting the number of conditioned rooms to verify the effect of the algorithm according to various load conditions. In the field test results, the energy reduction effect was approximately 15–17% at a 100% load, and 4–20% at a 75% load. However, no significant effects were shown at a 50% load. The indoor temperature and humidity reached a comfortable level.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1972

Space shuttle: A comparison of wind tunnel facility data on the 040A space shuttle orbiter configuration

A series of comparisons made on the longitudinal and lateral directional stability and control characteristics of the baseline 040A space shuttle orbiter configuration is documented. The data used for the comparisons were obtained from five wind tunnel tests conducted in four different wind tunnel facilities. The media for comparison were the aerodynamic slope values plotted as a function of Mach number for the different facilities. The slopes were computed using the SADSAC system and have been reduced relative to a common reference system. Data used for the comparison were selected based on a common baseline configuration. Identical configurations were available in all cases except MSFC 551 where an off-baseline vertical tail was tested. Some of the factors considered in comparing the various data were balance operating ranges and sensitivities, Reynolds number differences, scaling effects and control deflection accuracies.

Gyorfi, R. A.↗