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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
NASA NTRS1972

Electro-mechanical sine/cosine generator

An electromechanical device for generating both sine and cosine functions is described. A motor rotates a cylinder about an axis parallel to and a slight distance from the central axis of the cylinder. Two noncontacting displacement sensing devices are placed ninety degrees apart, equal distances from the axis of rotation of the cylinder and short distances above the surface of cylinder. Each of these sensing devices produces an electrical signal proportional to the distance that it is away from the cylinder. Consequently, as the cylinder is rotated the outputs from the two sensing devices are the sine and cosine functions.

Flagge, B.↗
NASA NTRS1985

Development of medical electronic devices in the APL space department

Several electronic devices for automatically correcting specific defects in a body's physiologic regulation and allowing approximately normal functioning are described. A self-injurious behavior inhibiting system (SIBIS) is fastened to the arm of a person with chronic self-injurious behavior patterns. An electric shock is delivered into the arm whenever the device senses above-threshold acceleration of the head such as occur with head-bangers. Sounding a buzzer tone with the shock eventually allows transference of the aversive stimulus to the buzzer so shocks are no longer necessary. A programmable implantable medication system features a solenoid pump placed beneath the skin and refueled by hypodermic needle. The pump functions are programmable and can deliver insulin, chemotherapy mixes and/or pain killers according to a preset schedule or on patient demand. Finally, an automatic implantible defibrillator has four electrodes attached directly to the heart for sensing electrical impulses or emitting them in response to cardiac fibrillation.

Newman, A. L.↗
NASA NTRS1996

State modeling and pass automation in spacecraft control

The integrated monitoring and control commercial off-the-shelf system (IMACCS), which demonstrates the feasibility of automating spacecraft monitoring and control activities through the use of state modeling, is described together with its use. The use of the system for the control and ground support of the solar, anomalous and magnetic particle explorer (SAMPEX) spacecraft is considered. A key component of IMACCS is the Altair mission control system which implements finite state modeling as an element of its expert system capability. Using the finite state modeling and state transition capabilities of the Altair mission control system, IMACCS features automated monitoring, routine pass support, anomaly resolution and emergency 'lights on again' response. Automatic orbit determination and the production of typical flight dynamics products exists. These functionalities are described.

Klein, J.↗
DOE OSTI2018

Unimolecular reaction of acetone oxide and its reaction with water in the atmosphere

Significance Obtaining rate constants and tropospheric lifetimes of Criegee intermediates is of critical significance for atmospheric modeling. We report calculations that can produce quantitative rate constants by variational transition state theory with corner-cutting tunneling based on implicit potential energy surfaces calibrated against high-level calculations. Demonstration of this capability is particularly significant because the calculations can fully cover the atmospheric conditions, which is hard to do by experiment. The present results also show the usefulness of the M11-L and MN15-L density functionals in describing this nominally multireference system. Modern quantum chemistry is now accurate enough to be used for atmospheric chemistry, and the present methods and strategies can be also be used to study other atmospherically important reactions of other medium-sized molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1986

An information measure for class discrimination

This article describes a separability measure for class discrimination. This measure is based on the Fisher information measure for estimating the mixing proportion of two classes. The Fisher information measure not only provides a means to assess quantitatively the information content in the features for separating classes, but also gives the lower bound for the variance of any unbiased estimate of the mixing proportion based on observations of the features. Unlike most commonly used separability measures, this measure is not dependent on the form of the probability distribution of the features and does not imply a specific estimation procedure. This is important because the probability distribution function that describes the data for a given class does not have simple analytic forms, such as a Gaussian. Results of applying this measure to compare the information content provided by three Landsat-derived feature vectors for the purpose of separating small grains from other crops are presented.

Shen, S. S.↗
DOE OSTI2018

What is a photon: structure and wave function

Based on the model of a photon as a ‘radiation oscillator’ of a field moving in space with the speed of light and having a zero rest mass, we have constructed a wave function that describes the photon states of the electromagnetic field. It has been suggested that the entire space where the field is present splits into separate regions of the order of the radiation wavelength, within which the field is coherent and the total field energy is equal to the photon energy. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Bond disproportionation, charge self-regulation, and ligand holes in s - p and in d -electron A B X 3 perovskites by density functional theory

Some ABX 3 perovskites exhibit different local environments (DLE) for the same B atoms in the lattice, an effect referred to as disproportionation, distinguishing such compounds from common perovskites that have single local environments (SLE). The basic phenomenology associated with such disproportionation involves the absence of B-atom charge ordering, the creation of different B-X bond length (“bond alternation”) for different local environments, the appearance of metal (in SLE) to insulator (in DLE) transitions, and the formation of ligand holes. We point out that this phenomenology is common to a broad range of chemical bonding patterns in ABX 3 compounds, either with s-p electron B-metal cations (BaBiO 3 , CsTlF 3 ) or with noble-metal cations (CsAuCl 3 ), as well as with d-electron cations (SmNiO 3 , CaFeO 3 ). Here we show that underlying much of this phenomenology is the “self-regulating response,” whereby in strongly bonded metal-ligand systems with high-lying ligand orbitals, the system protects itself from creating highly charged cations by transferring ligand electrons to the metal, thus preserving a nearly constant metal charge in different local environments, while creating B-ligand bond alternation and ligand-like conduction band (“ligand hole” states). We are asking what are the minimal theory ingredients needed to explain the main features of this SLE-to-DLE phenomenology, such as its energetic driving force, bond length changes, possible modifications in charge density, and density of state changes. Using as a guide the lowering of the total energy in DLE relative to SLE, we show that density functional calculations describe this phenomenology across the whole chemical bonding range without resort to special strong correlation effects, beyond what DFT naturally contains. In particular, lower total energy configurations (DLE) naturally develop bond alternation, gapping of the metallic SLE state, and absence of charge ordering with ligand hole formation.

36 MATERIALS SCIENCE↗
NASA NTRS2006

The Impact of the AIRS Spatial Response on Channel-to-Channel and Multi-Instrument Data Analyses

The Atmospheric Infrared Sounder (AIRS) measures the infrared spectrum in 2378 channels between 3.7 and 15.4 microns with a very high spectral resolution of approximately 1200. AIRS footprints are approximately 1.1 by 0.6 degrees. Because AIRS is a grating spectrometer, each channel has a unique spatial response. Image rotation due to the scan mirror causes these spatial responses to rotate. In effect, each channel has 90 spatial responses, one for each scene footprint in the scan line. Although the spatial response for most channels is symmetric and nearly uniform, some channels have significantly asymmetric response. This paper reviews and describes the prelaunch measurements that characterized the spatial response functions. Next, it describes the conversion of the ground-based results into footprint-specific response functions valid in flight. Then we describe the postlaunch validation of the measurements, including centroid location, axes orientations, and a check on the full two-dimensional response functions. This latter check involves comparison of AIRS data with that of the Moderate Resolution Imaging Spectrometer (MODIS), which flies on the same platform as AIRS. An important result is that AIRS/MODIS brightness temperature comparisons are significantly improved (scatter reduced) when the AIRS spatial response is explicitly taken into account. Finally, a status report is given on attempts to fully verify the prelaunch measurements by deriving the AIRS spatial response from flight data alone.

preflight calibaration↗
DOE OSTI2025

System Identification of a DC-DC Buck Converter Based on Two-Channel Relay Method

This work presents a system identification approach based on a two-channel relay applied to a DC-DC buck converter operating in closed-loop with a PI controller to regulate its output voltage. The implemented two-relay method allows system identification while the system is running online. Moreover, the algorithm works in a closed-loop configuration while introducing a minimal perturbation in the converter's operation. The presented algorithm was used to identify the frequency response of the converter with no-prior knowledge about the system structure. Furthermore, the identified transfer function parameters has a good agreement with the mathematical model of the converter. Simulation results of the comparison between the switching model, mathematical model and the identified model are provided to validate the theoretical analysis.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2019

Chapter 6 - Biokinetic Models

A biokinetic model is a set of mathematical functions that describe the time-dependent behavior of material that enters the body via a number of possible routes of intake. Biokinetic models are used to predict the time-dependent distribution of materials in the body and their rates of elimination along specific excretion pathways. The biokinetic models illustrated in this chapter are from published or upcoming reports of the International Commission on Radiological Protection (ICRP). The ICRP’s biokinetic models are generally first-order compartment models, with movement between compartments defined by transfer coefficients. A separate model for the intravenous injection case is not provided by the ICRP; this case can be addressed by assigning material to a blood compartment of the appropriate ICRP biokinetic model at time zero. The systemic biokinetic models used in Publication 30 are generally in the form of retention functions that may be interpreted as first-order compartmental models with one-directional flow of activity.

Leggett, Richard Wayne↗
NASA NTRS1987

Solutions of some problems in applied mathematics using MACSYMA

Various Symbolic Manipulation Programs (SMP) were tested to check the functioning of their commands and suitability under various operating systems. Support systems for SMP were found to be relatively better than the one for MACSYMA. The graphics facilities for MACSYMA do not work as expected under the UNIX operating system. Not all commands for MACSYMA function as described in the manuals. Shape representation is a central issue in computer graphics and computer-aided design. Aside from appearance, there are other application dependent, desirable properties like continuity to certain order, symmetry, axis-independence, and variation-diminishing properties. Several shape representations are studied, which include the Osculatory Method, a Piecewise Cubic Polynomial Method using two different slope estimates, Piecewise Cubic Hermite Form, a method by Harry McLaughlin, and a Piecewise Bezier Method. They are applied to collected physical and chemical data. Relative merits and demerits of these methods are examined. Kinematics of a single link, non-dissipative robot arm is studied using MACSYMA. Lagranian is set-up and Lagrange's equations are derived. From there, Hamiltonian equations of motion are obtained. Equations suggest that bifurcation of solutions can occur, depending upon the value of a single parameter. Using the characteristic function W, the Hamilton-Jacobi equation is derived. It is shown that the H-J equation can be solved in closed form. Analytical solutions to the H-J equation are obtained.

Punjabi, Alkesh↗
DOE OSTI2019

Extended range X-ray pair distribution functions

Here we describe a dual detector system for high-energy X-ray, simultaneous, small and wide-angle X-ray scattering (SAXS and WAXS), designed to extract extended-range pair distribution functions (ER-PDF) for disordered materials. The hardware and software provides continuous reciprocal space coverage over atomic to nanometer length-scales. Details of the varying resolution, splicing of data and normalization on an absolute scale are outlined. In addition, the combination of SAXS and WAXS theory is considered with a view to enabling a direct Fourier transformation of the structure factor spanning multiple length-scales into real space. Important distinctions between the ER-PDF and the pair distance distribution function (PDDF) representations are demonstrated. It is shown that when the SAXS intensity in the structure factor, S(Q), is similar to the WAXS intensity, the contributions to the ER-PDF are minimal. However, when the SAXS S(Q) intensities are substantially stronger than the WAXS, the ER-PDF can provide important structural information on the local, intermediate and nanometer length-scales. Notably, the ER-PDF method provides direct information on particle sizes and their density distributions, overcoming the limitations of PDDF analysis for densely packed systems.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Inline small-angle X-ray scattering-coupled chromatography under extreme hydrostatic pressure

As continuing discoveries highlight the surprising abundance and resilience of deep ocean and subsurface microbial life, the effects of extreme hydrostatic pressure on biological structure and function have attracted renewed interest. Biological small-angle X-ray scattering (BioSAXS) is a widely used method of obtaining structural information from biomolecules in solution under a wide range of solution conditions. Due to its ability to reduce radiation damage, remove aggregates, and separate monodisperse components from complex mixtures, size-exclusion chromatography-coupled SAXS (SEC-SAXS) is now the dominant form of BioSAXS at many synchrotron beamlines. While BioSAXS can currently be performed with some difficulty under pressure with non-flowing samples, it has not been clear how, or even if, continuously flowing SEC-SAXS, with its fragile media-packed columns, might work in an extreme high-pressure environment. Here we show, for the first time, that reproducible chromatographic separations coupled directly to high-pressure BioSAXS can be achieved at pressures up to at least 100 MPa and that pressure-induced changes in folding and oligomeric state and other properties can be observed. Further, the apparatus described here functions at a range of temperatures (0°C–50°C), expanding opportunities for understanding biomolecular rules of life in deep ocean and subsurface environments.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1994

Visually guided grasping to study teleprogrammation within the BAROCO testbed

This paper describes vision functionalities required in future orbital laboratories; in such systems, robots will be needed in order to execute the on-board scientific experiments or servicing and maintenance tasks under the remote control of ground operators. For this sake, ESA has proposed a robotic configuration called EMATS; a testbed has been developed by ESTEC in order to evaluate the potentialities of EMATS-like robot to execute scientific tasks in automatic mode. For the same context, CNES develops the BAROCO testbed to investigate remote control and teleprogrammation, in which high level primitives like 'Pick Object A' are provided as basic primitives. In nominal situations, the system has an a priori knowledge about the position of all objects. These positions are not very accurate, but this knowledge is sufficient in order to predict the position of the object which must be grasped, with respect to the manipulator frame. Vision is required in order to insure a correct grasping and to guarantee a good accuracy for the following operations. We describe our results about a visually guided grasping of static objects. It seems to be a very classical problem, and a lot of results are available. But, in many cases, it lacks a realistic evaluation of the accuracy, because such an evaluation requires tedious experiments. We propose several results about calibration of the experimental testbed, recognition algorithms required to locate a 3D polyhedral object, and the grasping itself.

Devy, M.↗
NASA NTRS2018

Robotic Infrastructure for Mars Outpost Water Supply

Intercontinental rovers servicing automated solar-powered Rodriguez Wells can supply water for Human Exploration on Mars. This paper describes a solar-powered multivehicle concept that can turn water resources obtained from mid-latitude glacier ice into a sustained water supply. A robotic drilling platform is proposed that can access relatively pure water ice in mid-latitude Martian glaciers through 1-10m of loose regolith, whereupon longdistance tanker rovers continually traverse terrain between the drilling operation and human outposts located in Mars equatorial zones. Robotically deployed solar-thermal panels will be able to passively heat warm water that is delivered into a Rodriguez Well (a melted cavity in an expanse of water ice such as a glacier). Newly melted water will be pumped up out of the well and cycled through the solar panels to fill tankers. The tankers will consist of multiple four-wheeled linked cars in a tram-like configuration that can overcome steep terrain and obstacles. The system will be able to deliver its own landed mass of water to the human explorers every ~74 Mars days. The resources, power, vehicle configurations, and detailed functions are described.

Howe, Scott A.↗
NASA NTRS2022

In-space Servicing, Assembly, and Manufacturing (ISAM) State of Play 2022 Edition

The future of spaceflight will yield increasingly more ambitious missions to support civil, national security, and commercial space sectors. Achieving these ambitious missions is not feasible using the traditional paradigm of launching an integrated, fully functioning system on a single launch vehicle. For example, science and human exploration missions will desire payloads that are larger than any foreseeable launch vehicle fairing, national security missions will require persistent assets that are mobile and resilient, and commercial space missions will require cost-effective ways to update to the latest technology on orbit. In-space Servicing, Assembly, and Manufacturing (ISAM) can vastly expand the performance, availability, and lifetime of space systems compared to the traditional paradigm of launching an asset with no intent to ever touch it again. ISAM capabilities foster an ecosystem that changes the space operations paradigm, creating the foundation for sustainable exploration and serving as a multiplier for other capabilities like space logistics, power generation, and reusability. Previous achievements in ISAM have enabled ambitious human and robotic space missions. NASA’s International Space Station (ISS) operations and maintenance, servicing missions of the Hubble Space Telescope (HST), and Northrop Grumman’s Mission Extension Vehicle (MEV) demonstrate the dramatic operational missions that can be achieved using ISAM capabilities. Many current and upcoming flight demonstrations are advancing areas that will enable the next generation of civil, national security, and commercial space missions. This document describes the current state of ISAM missions, capabilities, and developments. Compiling and organizing the available ISAM capabilities will help mission designers incorporate ISAM technologies into their concepts, create the starting point for technology development plans and roadmaps, and provide technologists a survey of the field they are developing. This document divides the ISAM capabilities into 11 capability areas that describe the functions or activities that would be performed in space using ISAM. This version of the ISAM State of Play is part of a continuing journey to encourage the use of ISAM capabilities in space. Compiling and organizing the current state of ISAM provides a simple resource for those working in the ISAM ecosystem to ensure that the advancements being made build upon the investments of the past. The state of play is ever changing as new capabilities are developed, and this document will be periodically updated to ensure that it is relevant to those who need it in the future.

ISAM↗
DOE OSTI2024

VZr_BCC_SolidSolution_128atoms_VASP6

We performed density functional theory (DFT) calculations for body-centered-cubic (BCC) structures with 128 lattices sites of solid solution binary alloys vanadium-zirconium (V-Zr). The electronic structures of alloys have been calculated using Vienna Ab initio Simulation Package (VASP). Within this package the DFT approach is used to reduce many-body Schrodinger equation to set of single particle Kohn-Sham (KS) equations. The generalized electronic exchange-correlation functional is described by generalized gradient approximation with the Perdew-Burke-Ernzerhof parametrization. The electron-ion interactions is described by pseudopotentials developed within the plane-wave basis projector augmented-wave (PAW) approach \cite{PAW}. These pseudopotentials are available at the VASP portal (http://cms.mpi.univie.ac.at/vasp/). Our calculations have been run with the pseudopotentials treating s and p semi-core states as valence in case for the elements V and Zr. The electronic densities and potentials are expanded over plane-waves with energy cutoff of 350 eV. 2x2x2 k-mesh and normal precision were used. The alloys were modeled by supercell containing 128 randomly distributed atoms. At initial step the atoms occupy perfect bcc lattice cites. This initial structure was optimized until energy changes less than 1e-6 eV, while forces acting on atoms don't exceed 1e-2 eV/angstrom. The electron-ion interaction is described by PAW pseudopotentials. The calculations have been collected by sampling chemical compositions across the entire compositional range. The chemical compositions have been sampled by progressively changing the number of atoms per constituent by 4. For each chemical composition of binaries and ternaries, the first-principle calculations have been run for 100 randomized arrangements of the constituents on the BCC lattice sites. We collected data for a total of 3,100 randomized atomic structures over 31 chemical compositions.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Low-Lying Excited States of Linear All- Trans Polyenes: Insights from Analytic Gradient and Nonadiabatic Coupling Calculations Based on Multireference Configuration Interaction

Polyenes serve as a rigorous test for theoretical models and electronic structure methods, playing a key role in advancing computational and theoretical chemistry. Here, we present a high-level theoretical investigation of linear, all-trans polyenes using energy gradients and nonadiabatic coupling vectors based on an MR-CISD wave function to describe electronic transitions involving the ground state (1 1 A g – ) and three low-lying excited states (2 1 A g – , 1 1 B u + , and 2 1 B u – ) of hexatriene, octatetraene, and decapentaene. This approach enables accurate evaluation of both adiabatic and vertical excitation and emission energies, yielding results in excellent agreement with experiment, as well as locating minima on the crossing seam between adiabatic states. Our results show that vertical excitation energies to the 1 1 B u + state are blue-shifted by 0.2–0.3 eV relative to the experimental absorption maximum, whereas the vertical emission energy from the 2 1 A g – state is red-shifted by ∼0.2 eV relative to the experimental emission maximum. Upon relaxation from the Franck–Condon geometry, the 2 1 A g – state stabilizes by around 1 eV, compared to 0.2–0.3 eV for the 1 1 B u + state. An analysis of the S 1 /S 0 crossing seam in hexatriene shows that its minimum involves asymmetric backbone deformations and provides an efficient channel for ultrafast internal conversion to the ground state, consistent with the absence of detectable fluorescence in this molecule. These results demonstrate the power of analytic gradients and nonadiabatic coupling vectors based on an MR-CISD wave function for accurately characterizing the electronic structure and photophysics of polyenes.

Excited states↗