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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Solvent-Based Absorption

Solvent-based CO2 absorption processes are the oldest and most mature technology, having been deployed at what would be considered full-scale for post-combustion CO2 capture. There are many commercial 1st and 2nd generation technologies such as Econamine FG+, CANSOLV, Oase Blue, KS-1, with dozens if not hundreds of 3rd generation solvents that are been studied at varying stages of testing. While there are many solvents that are under development, nearly all solvents function on the same physical and chemical principles and it is not surprising that they all have similar configurations with somewhat comparable levels of performance. The enhancements in energy efficiency for solvents have come primarily from the engineering advancements over many decades of refinement, though surprisingly little has changed with respect to the molecular structure of solvents over the same period of time. In this chapter, we explain the tenets of solvent-based processes and provide a chronological timeline of solvents throughout their nearly 90-year history with discussions of why and how advancements in solvent efficiency have been achieved and we conclude with an outlook for the future of solvents and their place in CCUS.

Heldebrant, David J.↗
NASA NTRS1991

Shock wave interaction with an abrupt area change

The wave patterns that occur when a shock wave interacts with an abrupt area changed are analyzed in terms of the incident shock wave Mach number and area-jump ratio. The solutions predicted by a semi-similar models are in good agreement with those obtained numerically from the quasi-one-dimensional time-dependent Euler equations. The entropy production for the wave system is defined and the principle of minimum entropy production is used to resolve a nonuniqueness problem of the self-similar model.

Salas, Manuel D.↗
NASA NTRS1962

Experience with Mercury Spacecraft Systems

Design of a manned spacecraft in 1958 and 1959 required that many decisions be made with no background of direct experience with similar vehicles and very little background of experience on vehicles of any type which had been exposed to the rigors of space. Under such circumstances, it was necessary to establish certain fundamental design principles which were believed to represent the proper balance between the conservatism required by the unknowns, the desired development schedule, and the extreme necessity to conserve weight. One of the foremost of the program objectives was, of course, safety. Broadly speaking, the design principles chosen to achieve the level of safety desired in such an unknown venture were very similar to those used for manned aircraft design.

Spacecraft↗
DOE OSTI2020

Thermodynamics and Mechanism of a Photocatalyzed Stereoselective [2 + 2] Cycloaddition on a CdSe Quantum Dot

Colloidal quantum dots (QDs) have shown promise over the last few decades for a range of applications including single photon emission, in vivo imaging and photocatalysis. Recent experiments demonstrated that QDs impart stereoselectivity to triplet excited-state [2+2] cycloaddition reactions of alkenes photocatalyzed by the QD through self-assembly of the reagent molecules on the QD surface, but these experiments did not reveal the precise geometries of surface-bound molecules or their interactions with surface atoms. Here, a theoretical mechanistic approach is used to study such interactions for [2+2] cycloadditions of 4-vinylbenzoic acid derivatives on CdSe QDs. Spin-polarized periodic density functional theory (DFT) and non-periodic DFT calculations are deployed to determine the origin of the selectivity for the syn diastereomer of the resultant tetrasubstituted cyclobutane product via atomistic modelling of the CdSe surface and substrates, and determination of the thermodynamic energies of reactions for each step, the intermolecular interactions between the substrates, and the triplet state reaction paths. The calculations indicate that reaction selectivity arises from preferred binding of pairs through intermolecular interactions of substrate molecules on the QD surface in a syn-precursor structure followed by dimerization after triplet excitation. Further, these mechanisms are generalizable to other metal-enriched QD surfaces that have a similar surface structure to CdSe, such as InSe or CdTe. Design principles for anti diastereomer derivatives are also discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1974

Testing a satellite automatic nutation control system

Testing of a particular nutation control system for the synchronous meteorological satellite (SMS) is described. The test method and principles are applicable to nutation angle control for other satellites with similar requirements. During its ascent to synchronous orbit, a spacecraft like the SMS spins about its minimum-moment-of-inertia axis. An uncontrolled spacecraft in this state is unstable because torques due to fuel motion increase the nutation angle. However, the SMS is equipped with an automatic nutation control (ANC) system which will keep the nutation angle close to zero. Because correct operation of this system is critical to mission success, it was tested on an air-bearing table. The ANC system was mounted on the three-axis air-bearing table which was scaled to the SMS and equipped with appropriate sensors and thrusters. The table was spun up in an altitude chamber and nutation induced so that table motion simulated spacecraft motion. The ANC system was used to reduce the nutation angle. This dynamic test of the ANC system met all its objectives and provided confidence that the ANC system will control the SMS nutation angle.

Hrasiar, J. A.↗
NASA NTRS1989

Inertial corrections by dynamic estimation

The highlights are presented of an Engineering Memorandum, Dynamic Estimation for Floated Gradiometers. The original impetus for the work was that gradiometers, in principle, measure components of the gravity gradient tensor, plus rotation effects, similar to centrifugal and Coriolis effects in accelerometers. The problem is that the rotation effects are often quite large, compared to the gradient, and that available inertial instruments can't measure them to adequate accuracy. The paper advances the idea that, if the instruments can be floated in a package subject to very low disturbances, a dynamic estimation, based on the Euler and translational equations of motion, plus models of all the instruments, can be used to greatly strengthen the estimates of the gradient and the rotation parameters. Moreover, symmetry constraints can be imposed directly in the filter, further strengthening the solution.

Sonnabend, David↗
NASA NTRS1993

Scattering calculations and confining interactions

Most of the research work performed under this grant were concerned with strong interaction processes ranging from kaon-nucleon interaction to proton-nucleus scattering calculations. Research performed under this grant can be categorized into three groups: (1) parametrization of fundamental interactions, (2) development of formal theory, and (3) calculations based upon the first two. Parametrizations of certain fundamental interactions, such as kaon-nucleon interaction, for example, were necessary because kaon-nucleon scattering amplitude was needed to perform kaon-nucleus scattering calculations. It was possible to calculate kaon-nucleon amplitudes from the first principle, but it was unnecessary for the purpose of the project. Similar work was also done for example for anti-protons and anti-nuclei. Formal developments to some extent were also pursued so that consistent calculations can be done.

Buck, Warren W.↗
NASA NTRS1994

The photometric method of extrasolar planet detection revisited

We investigate the geometry concerning the photometric method of extrasolar planet detection, i.e., the detection of dimunition of a parent star's brightness during a planetary transit. Under the assumption that planetary orbital inclinations can be defined by a Gaussian with a sigma of 10 deg centered on the parent star's equatorial plane, Monte Carlo simulations suggest that for a given star observed at an inclination of exactly 90 deg, the probability of at least one Earth-sized or larger planet being suitably placed for transits is approximately 4%. This probability drops to 3% for a star observed at an inclination of 80 deg, and is still approximately 0.5% for a star observed at an inclination of 60 deg. If one can select 100 stars with a pre-determined inclination equal or greater than 80 deg, the probability of at least one planet being suitably configured for transits is 95%. The majority of transit events are due to planets in small-a orbits similar to the Earth and Venus; thus, the photometric method in principle is the method best suited for the detection of Earthlike planets. The photometric method also allows for testing whether or not planets can exist within binary systems. This can ge done by selecting binary systems observed at high orbital inclinations, both eclipsing binaries and wider visual binaries. For a 'real-world' example, we look at the alpha Centauri system (i = 79.2 deg). If we assume that the equatorial planes of both components coincide with the system's orbital plane, Monte Carlo simulations suggest that the probability of at least one planet (of either component) being suitably configured for transits is approximately 8%. In conclusion, we present a non-exhaustive list of solar-type stars, both single and within binary systems, which exhibit a high equatorial inclination. These objects may be considered as preliminary candidates for planetary searches via the photometric method.

Hale, Alan↗
NASA NTRS2010

Modeling and Simulation of an UAS Collision Avoidance Systems

This paper describes a Modeling and Simulation of an Unmanned Aircraft Systems (UAS) Collision Avoidance System, capable of representing different types of scenarios for UAS collision avoidance. Commercial and military piloted aircraft currently utilize various systems for collision avoidance such as Traffic Alert and Collision A voidance System (TCAS), Automatic Dependent Surveillance-Broadcast (ADS-B), Radar and ElectroOptical and Infrared Sensors (EO-IR). The integration of information from these systems is done by the pilot in the aircraft to determine the best course of action. In order to operate optimally in the National Airspace System (NAS) UAS have to work in a similar or equivalent manner to a piloted aircraft by applying the principle of "detect-see and avoid" (DSA) to other air traffic. Hence, we have taken these existing sensor technologies into consideration in order to meet the challenge of researching the modeling and simulation of an approximated DSA system. A Schematic Model for a UAS Collision Avoidance System (CAS) has been developed ina closed loop block diagram for that purpose. We have found that the most suitable software to carry out this task is the Satellite Tool Kit (STK) from Analytical Graphics Inc. (AGI). We have used the Aircraft Mission Modeler (AMM) for modeling and simulation of a scenario where a UAS is placed on a possible collision path with an initial intruder and then with a second intruder, but is able to avoid them by executing a right tum maneuver and then climbing. Radars have also been modeled with specific characteristics for the UAS and both intruders. The software provides analytical, graphical user interfaces and data controlling tools which allow the operator to simulate different conditions. Extensive simulations have been carried out which returned excellent results.

Oliveros, Edgardo V.↗
NASA NTRS2005

Precision Cryogenic Dilatometer

A dilatometer based on a laser interferometer is being developed to measure mechanical creep and coefficients of thermal expansion (CTEs) of materials at temperatures ranging from ambient down to 15 K. This cryogenic dilatometer has been designed to minimize systematic errors that limit the best previously available dilatometers. At its prototype stage of development, this cryogenic dilatometer yields a strain measurement error of 35 ppb or 1.7 ppb/K CTE measurement error for a 20-K thermal load, for low-expansion materials in the temperature range from 310 down to 30 K. Planned further design refinements that include a provision for stabilization of the laser and addition of a high-precision sample-holding jig are expected to reduce the measurement error to 5-ppb strain error or 0.3-ppb/K CTE error for a 20-K thermal load. The dilatometer (see figure) includes a common-path, differential, heterodyne interferometer; a dual-frequency, stabilized source bench that serves as the light source for the interferometer; a cryogenic chamber in which one places the material sample to be studied; a cryogenic system for cooling the interior of the chamber to the measurement temperature; an ultra-stable alignment stage for positioning the chamber so that the sample is properly positioned with respect to the interferometer; and a data-acquisition and control system. The cryogenic chamber and the interferometer portion of the dilatometer are housed in a vacuum chamber on top of a vibration isolating optical table in a cleanroom. The sample consists of two pieces a pillar on a base both made of the same material. Using reflections of the interferometer beams from the base and the top of the pillar, what is measured is the change in length of the pillar as the temperature in the chamber is changed. In their fundamental optical and electronic principles of operation, the laser light source and the interferometer are similar to those described in Common-Path Heterodyne Interferometers (NPO-20786), NASA Tech Briefs, Vol. 25, No. 7 (July 2001), page 12a, and Interferometer for Measuring Displacement to Within 20 pm (NPO- 21221), NASA Tech Briefs, Vol. 27, No. 7 (July 2003), page 8a. However, the present designs incorporate a number of special geometric, optical, and mechanical features to minimize optical and thermal-expansion effects that contribute to measurement errors. These features include the use of low-thermal expansion materials for structural components, kinematic mounting and symmetrical placement of optical components, and several measures taken to minimize spurious reflections of laser beams.

Dudik, Matthew↗
DOE OSTI2024

Tackling the Giants: Applying Smart Labs Principles to Constant Air Volume Lab Buildings

Laboratories typically consume 3 to 10 times more energy than similarly sized commercial buildings, and as much as 50% of that energy is wasted by inefficient and poorly operating fume hoods and ventilation systems. One challenge faced by older laboratory buildings is the heating, ventilation, and air-conditioning systems serving many of these buildings. The older systems are usually constant air volume (CAV) systems that maintain constant ventilation rates that cause excess airflow and inefficient energy use. Variable air volume systems can be more efficient systems with sensors to detect the need for a change in volumetric flow rate; however; renovation of ventilation systems can create disruption to ongoing research and operations along with considerable up-front costs. When a Smart Labs program is implemented, an organization has a systems-based management approach that yields a high-performing laboratory building. As decarbonization continues as a priority for sites, buildings with CAV systems are difficult to address. This work centers around practical guidance for improving lab buildings with CAV. In conjunction with industry input on top technology solutions and best practices, recommendations will include performing a laboratory ventilation risk assessment in conjunction with robust retro-commissioning work, which is a crucial step in the Smart Lab process. By applying Smart Labs principles, the aging laboratory building stock of 153,343 (Lawrence Berkeley National Laboratory [LBNL] 2017), comprising roughly 500,000 lab spaces in the United States, can be brought to safe and high-performance operations.

building↗
DOE OSTI2021

Structure, Magnetism, and First-Principles Modeling of the Na 0.5 La 0.5 RuO 3 Perovskite

High-purity polycrystalline Na 0.5 La 0.5 RuO 3 was synthesized by a solid-state method, and its properties were studied by magnetic susceptibility, heat capacity, and resistivity measurements. In this study, we find it to be an orthorhombic perovskite, in contrast to an earlier report, with random La/Na mixing. With a Curie–Weiss temperature of –231 K and an effective moment of 2.74 μB/mol Ru, there is no magnetic ordering down to 1.8 K. A broad hump at 1.4 K in the heat capacity, however, indicates the presence of a glassy magnetic transition, which we attribute to the influence of the random distribution of Na and La on the perovskite A-sites. Comparison to CaRuO 3 , a structurally ordered ruthenate perovskite with a similar A-site ionic radius and magnetic properties, is presented. First-principles calculations indicate that the Na–La distribution determines the local magnetic exchange interactions between Ru ions, favoring either antiferromagnetic or ferromagnetic coupling when the local environment is Na- or La-rich. Thus, our data and analysis suggest that mixing cations with different charges and sizes on the A-site in this perovskite results in magnetic frustration through a balance of local magnetic exchange interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1921

Vortices and the related principles of hydrodynamics

Here, conceptions concerning vortices are illustrated by the simplest possible examples. Mathematical formulas and similar means of presentation, which, for the most part, do not help the understanding of persons not versed therein, have been avoided as much as possible. Instead, the author has endeavored to demonstrate the phenomena by means of simple geometrical and mechanical illustrations. For the sake of clarity, the author chiefly considers currents in one plane only, a situation that can be readily represented by diagrams. Some of the peculiarities of vortices in three dimensional flow are briefly discussed.

Betz, A↗
DOE OSTI2023

Electrochemical Control of Magnetism on the Breathing Kagome Network of Li x ScMo 3 O 8

Controlling properties within a given functional inorganic material structure type is often accomplished through tuning the electronic occupation, which is in turn dictated by the elemental composition determined at the time of material preparation. We employ electrochemical control of the lithium content, with associated electronic occupancy control, to vary the magnetic properties of a material where a kagome-derived network of Mo 3 triangles carry the spin. In this case, Li is electrochemically inserted into LiScMo 3 O 8 , a layered compound containing a breathing Mo kagome network. Up to two additional Li can be inserted into LiScMo 3 O 8 , transforming it into Li 3 ScMo 3 O 8 . Li 2 ScMo 3 O 8 prepared by electrochemical lithiation is compared to the quantum spin liquid candidate compound Li 2 ScMo 3 O 8 prepared through high-temperature solid-state methods, which has a slightly different structural stacking sequence but a similar kagome-derived network. Magnetic measurements are supported by first-principles calculations, showing that electrons remain localized on the Mo clusters throughout the doping series. As x is varied in Li x ScMo 3 O 8 , the measurements and calculations reveal the evolution from a diamagnetic band insulator at x = 1 to a geometrically frustrated magnet at x = 2, back to a diamagnetic insulator at x = 3. These results indicate a likelihood of strong coupling between the degree of Li disorder and charge/magnetic ordering over the Mo 3 clusters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Towards dislocation-driven quantum interconnects

A central problem in the deployment of quantum technologies is the realization of robust architectures for quantum interconnects. We propose to engineer interconnects in semiconductors and insulators by patterning spin qubits at dislocations, thus forming quasi one-dimensional lines of entangled point defects. To gain insight into the feasibility and control of dislocation-driven interconnects, we investigate the optical cycle and coherence properties of nitrogen-vacancy (NV) centers in diamond, in proximity of dislocations, using a combination of advanced first-principles calculations. We show that one can engineer spin defects with properties similar to those of their bulk counterparts, including charge stability and a favorable optical cycle, and that NV centers close to dislocations have much improved coherence properties. Finally, we predict optically detected magnetic resonance spectra that may facilitate the experimental identification of specific defect configurations. Our results provide a theoretical foundation for the engineering of one-dimensional arrays of spin defects in the solid state.

Materials science↗
DOE OSTI2022

Electronic and magnetic properties of the RuX3 (X = Cl, Br, I) family: two siblings—and a cousin?

Abstract Motivated by reports of metallic behavior in the recently synthesized RuI 3 , in contrast to the Mott-insulating nature of the actively discussed α -RuCl 3 , as well as RuBr 3 , we present a detailed comparative analysis of the electronic and magnetic properties of this family of trihalides. Using a combination of first-principles calculations and effective-model considerations, we conclude that RuI 3 , similarly to the other two members, is most probably on the verge of a Mott insulator, but with much smaller magnetic moments and strong magnetic frustration. We predict the ideal pristine crystal of RuI 3 to have a nearly vanishing conventional nearest-neighbor Heisenberg interaction and to be a quantum spin liquid candidate of a possibly different kind than the Kitaev spin liquid. In order to understand the apparent contradiction to the reported resistivity ρ , we analyze the experimental evidence for all three compounds and propose a scenario for the observed metallicity in existing samples of RuI 3 . Furthermore, for the Mott insulator RuBr 3, we obtain a magnetic Hamiltonian of a similar form to that in the much-discussed α -RuCl 3 and show that this Hamiltonian is in agreement with experimental evidence in RuBr 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2021

Design principles and physical properties of two-dimensional heterostructured borides

Principles of design to create dynamically stable transition metal-, lanthanide-, and actinide-based low-dimensional borides are presented. A charge transfer analysis of donor metal atoms to electron deficient honeycombed B lattices allows to predict complex covalent heterostructures hosting Dirac states. The applicable guidelines are supported with the analysis of phonon spectra computed with first-principles calculations to demonstrate the physical stability of nanometer-thick heterostructures. Similar or dissimilar layered borides can be stacked on top of each other in a layer-by-layer fashion creating compounds that can be fundamentally different from the individual layers, opening a rich playground to explore novel physical properties and new materials. Functionalities such as multiple Dirac states, highly dispersive electronic bands, and decoupled acoustic-optical phonon branches are studied. The combination of appealing electronic properties and physical realization makes of predicted layered borides promising materials to integrate a new generation of two-dimensional materials.

2-dimensional systems↗
NASA NTRS1993

An AC-electromagnetic bearing for flywheel energy storage in space

A repulsive type AC-electromagnetic bearing was developed and tested. It was conceived on the basis of the so-called Magnetic River suspension for high-speed trains. The appearance of the bearing is similar to the traditional DC-type electromagnetic bearing but the operating principle is different. The magnets are fed with alternating current instead of direct current and the rotor is fitted with a conducting sleeve (e.g. aluminum) instead of a ferromagnetic sleeve. The repulsion is due to induction of eddy-currents in the conducting sleeve. The bearing is inherently stable and requires no feedback control. It provides support in five degrees of freedom such that a short rotor may be fully supported by a single bearing. These capabilities were demonstrated experimentally. On the down side, the load carrying capacity and the damping obtained so far were quite low compared to the DC-type bearing. Also, significant heating of the conducting sleeve was experienced. The AC-bearing is essentially a modified induction motor and there are strong indications that it can be run both as a motor and as a generator with no commutator requirements. It is therefore considered to be a good candidate for support of energy storage flywheels in space.

Nikolajsen, Jorgen L.↗