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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Nonlinear susceptibilities for weakly turbulent magnetized plasma: Electrostatic approximation

The plasma weak turbulence theory is a perturbative nonlinear theory, which has been proven to be quite valid in a number of applications. However, the standard weak turbulence theory found in the literature is fully developed for highly idealized unmagnetized plasmas. As many plasmas found in nature and laboratory are immersed in a background static magnetic field, it is necessary to extend the existing discussions to include the effects of ambient magnetic field. Such a task is quite formidable, however, which has prevented fundamental and significant progresses in the subject matter. The central difficulty lies in the formulation of the complete nonlinear response functions for magnetized plasmas. The present paper derives the nonlinear susceptibilities for weakly turbulent magnetized plasmas up to the third order nonlinearity, but in doing so, a substantial reduction in mathematical complexity is achieved by the use of Bessel function addition theorem (or sum rule). The present paper also constructs the weak turbulence wave kinetic equation in a formal sense. For the sake of simplicity, however, the present paper assumes the electrostatic interaction among plasma particles. Fully electromagnetic generalization is a subject of a subsequent paper.

Physics↗
DOE OSTI2021

Toward simulating quantum field theories with controlled phonon-ion dynamics: A hybrid analog-digital approach

Quantum field theories are the cornerstones of modern physics, providing relativistic and quantum mechanical descriptions of physical systems at the most fundamental level. Simulating real-time dynamics within these theories remains elusive in classical computing. This provides a unique opportunity for quantum simulators, which hold the promise of revolutionizing our simulation capabilities. Trapped-ion systems are successful quantum-simulator platforms for quantum many-body physics and can operate in digital, or gate-based, and analog modes. Inspired by the progress in proposing and realizing quantum simulations of a number of relativistic quantum field theories using trapped-ion systems, and by the hybrid analog-digital proposals for simulating interacting boson-fermion models, we propose hybrid analog-digital quantum simulations of selected quantum field theories, taking recent developments to the next level. On one hand, the semi-digital nature of this proposal offers more flexibility in engineering generic model interactions compared with a fully-analog approach. On the other hand, encoding the bosonic fields onto the phonon degrees of freedom of the trapped-ion system allows a more efficient usage of simulator resources, and a more natural implementation of intrinsic quantum operations in such platforms. This opens up new ways for simulating complex dynamics of e.g., Abelian and non-Abelian gauge theories, by combining the benefits of digital and analog schemes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1948

Theoretical symmetric span loading at subsonic speeds for wings having arbitrary plan form

A method is shown by which the symmetric span loading for a certain class of wings can be simply found. The geometry of these wings is limited only to the extent that they must have symmetry about the root chord, must have a straight quarter-chord line over the semispan, and must have no discontinuities in twist. A procedure is shown for finding the lift-curve slope, pitching moment, center of lift, and induced drag from the span load distribution. A method of accounting for the effects of Mach number and for changes in section lift-curve slope is also given. Charts are presented which give directly the characteristics of many wings. Other charts are presented which reduce the problem of finding the symmetric loading on all wings falling within the prescribed limits to the solution of not more than four simultaneous equations. The loadings and wing characteristics predicted by the theory are compared to those given by other theories and by experiment. It is concluded that the results given by the subject theory are satisfactory. The theory is applied to a number of wings to exhibit the effects of such variables as sweep, aspect ratio, taper, and twist. The results are compared and conclusions drawn as to the relative effects of these variables.

Deyoung, John↗
NASA NTRS1993

A multimedia adult literacy program: Combining NASA technology, instructional design theory, and authentic literacy concepts

For a number of years, the Software Technology Branch of the Information Systems Directorate has been involved in the application of cutting edge hardware and software technologies to instructional tasks related to NASA projects. The branch has developed intelligent computer aided training shells, instructional applications of virtual reality and multimedia, and computer-based instructional packages that use fuzzy logic for both instructional and diagnostic decision making. One outcome of the work on space-related technology-supported instruction has been the creation of a significant pool of human talent in the branch with current expertise on the cutting edges of instructional technologies. When the human talent is combined with advanced technologies for graphics, sound, video, CD-ROM, and high speed computing, the result is a powerful research and development group that both contributes to the applied foundations of instructional technology and creates effective instructional packages that take advantage of a range of advanced technologies. Several branch projects are currently underway that combine NASA-developed expertise to significant instructional problems in public education. The branch, for example, has developed intelligent computer aided software to help high school students learn physics and staff are currently working on a project to produce educational software for young children with language deficits. This report deals with another project, the adult literacy tutor. Unfortunately, while there are a number of computer-based instructional packages available for adult literacy instruction, most of them are based on the same instructional models that failed these students when they were in school. The teacher-centered, discrete skill and drill-oriented, instructional strategies, even when they are supported by color computer graphics and animation, that form the foundation for most of the computer-based literacy packages currently on the market may not be the most effective or most desirable way to use computer technology in literacy programs. This project is developing a series of instructional packages that are based on a different instructional model - authentic instruction. The instructional development model used to create these packages is also different. Instead of using the traditional five stage linear, sequential model based on behavioral learning theory, the project uses the recursive, reflective design and development model (R2D2) that is based on cognitive learning theory, particularly the social constructivism of Vygotsky, and an epistemology based on critical theory. Using alternative instructional and instructional development theories, the result of the summer faculty fellowship is LiteraCity, a multimedia adult literacy instructional package that is a simulation of finding and applying for a job. The program, which is about 120 megabytes, is distributed on CD-ROM.

Willis, Jerry W.↗
NASA NTRS1984

Acoustic pressures emanating from a turbomachine stage

A knowledge of the acoustic energy emission of each blade row of a turbomachine is useful for estimating the overall noise level of the machine and for determining its discrete frequency noise content. Because of the close spacing between the rotor and stator of a compressor stage, the strong aerodynamic interactions between them have to be included in obtaining the resultant flow field. This paper outlines a three-dimensional theory for determining the discrete frequency noise content of an axial compressor consisting of a rotor and a stator each with a finite number of blades. The lifting surface theory and the linearized equation of an ideal, nonsteady compressible fluid motion are used for thin blades of arbitrary cross section. The combined pressure field at a point of the fluid is constructed by linear addition of the rotor and stator solutions together with an interference factor obtained by matching them for net zero vorticity behind the stage.

Ramachandra, S. M.↗
NASA NTRS1973

The application of general aerodynamic lifting surface elements to problems in unsteady transonic flow

A study was conducted to investigate the feasibility of using combined subsonic and supersonic linear theory as a means for solving unsteady transonic flow problems in an economical and yet realistic manner. With some modification, existing linear theory methods are combined into a single program and a simple algorithm is derived for determining interference between lifting surface elements of different Mach number. The method is applied to a wide variety of problems for which measured unsteady pressure distributions and Mach number distributions are available. By comparing theory and experiment, the transonic method solutions show a significant improvement over uniform flow solutions. It is concluded that with these refinements the method will provide a means for performing realistic transonic flutter and dynamic response analyses at costs which are compatible with current linear theory based solutions.

Cunningham, A. M., Jr.↗
NASA NTRS1972

Practical applications of digital integrated circuits. Part 2: Minimization techniques, code conversion, flip-flops, and asynchronous circuits

Here, the 7400 line of transistor to transistor logic (TTL) devices is emphasized almost exclusively where hardware is concerned. However, it should be pointed out that the logic theory contained herein applies to all hardware. Binary numbers, simplification of logic circuits, code conversion circuits, basic flip-flop theory, details about series 54/7400, and asynchronous circuits are discussed.

Source record↗
NASA NTRS1978

A review of the theory of trailing edge noise

Literature on the theory of the generation of sound by the interaction of low Mach number turbulent flow with the edge of a semi-infinite rigid plate is critically reviewed. Three different approaches to the subject are identified, consisting of theories based on (1) Lighthill's acoustic analogy; (2) the solution of special, linearized hydroacoustic problems; and (3) ad hoc aerodynamic source models. When appropriately interpreted, all relevant theories produce essentially identical predictions in the limit of very small Mach numbers. None of the theories discusses the implications of the Kutta condition, however, nor of the effect of forward flight and source motion relative to the trailing edge. An outline of a redevelopment of the theory is included to give a unified view of the problem, exhibit the significance of the various approximations, and incorporate the effect of mean motion and of the Kutta condition.

Howe, M. S.↗
NASA NTRS1951

A semi-empirical method for calculating the pitching moment of bodies of revolution at low Mach numbers

A semiempirical method, in which potential theory is arbitrarily combined with an approximate viscous theory, for calculating the aerodynamic pitching moments for bodies of revolution is presented. The method can also be used for calculating the lift and drag forces. The calculated and experimental force and moment characteristics of 15 bodies of revolution are compared.

FLOW, VISCOUS↗
NASA NTRS1961

Sound Radiation from a Turbulent Boundary Layer

If the restriction of incompressibility in the turbulence problem is relaxed, the phenomenon of energy radiation in the form of sound from the turbulent zone arises. In order to calculate this radiated energy, it is shown that new statistical quantities, such as time-space correlation tensors, have to be known within the turbulent zone in addition to the conventional quantities. For the particular case of the turbulent boundary layer, indications are that the intensity of radiation becomes significant only in supersonic flows. Under these conditions, the recent work of Phillips is examined together with some experimental findings of the author. It is shown that the qualitative features of the radiation field (intensity, directionality) as predicted by the theory are consistent with the measurements; however, even for the highest Mach number flow, some of the assumptions of the asymptotic theory are not yet satisfied in the experiments. Finally, the question of turbulence damping due to radiation is discussed, with the result that in the Mach number range covered by the experiments, the energy lost from the boundary layer due to radiation is a small percentage of the work done by the wall shearing stresses.

TURBULENT BOUNDARY LAYER↗
NASA NTRS1999

Weakly Nonlinear Description of Parametric Instabilities in Vibrating Flows

This project focuses on the effects of weak dissipation on vibrational flows in microgravity and in particular on (a) the generation of mean flows through viscous effects and their reaction on the flows themselves, and (b) the effects of finite group velocity and dispersion on the resulting dynamics in large domains. The basic mechanism responsible for the generation of such flows is nonlinear and was identified by Schlichting [21] and Longuet-Higgins. However, only recently has it become possible to describe such flows self-consistently in terms of amplitude equations for the parametrically excited waves coupled to a mean flow equation. The derivation of these equations is nontrivial because the limit of zero viscosity is singular. This project focuses on various aspects of this singular problem (i.e., the limit C equivalent to (nu)((g)(h(exp 3)))exp -1/2 << 1,where nu is the kinematic viscosity and h is the liquid depth) in the weakly nonlinear regime. A number of distinct cases is identified depending on the values of the Bond number, the size of the nonlinear terms, distance above threshold and the length scales of interest. The theory provides a quantitative explanation of a number of experiments on the vibration modes of liquid bridges and related experiments on parametric excitation of capillary waves in containers of both small and large aspect ratio. The following is a summary of results obtained thus far.

Knobloch, E.↗
DOE OSTI2023

Predicting magnetic properties of single-molecule magnets from self-interaction-free density-functional theory (Final Report)

In this project we investigated electronic structure of an intermediate-sized copper-based molecule and magnetic and hyperfine properties of several small non-magnetic and magnetic molecules including transition-metal elements by applying self-interaction corrections to density functional theory (DFT). In a sufficient number of cases, DFT-calculated electronic structure and magnetic properties of single-molecule magnets qualitatively differ from corresponding experimental data. This is partly due to self-interacting electrons within the DFT formalism. Recently, an efficient method to correct the self-interactions was proposed, i.e., Fermi-Lowdin prbital (FLO) based self-interaction corrected (SIC) methodology, within DFT. Henceforth, this method is referred to as FLO-SIC method which exists in FLOSIC code. We used this FLO-SIC method for our studies of electronic structure and magnetic and hyperfine properties of small magnetic molecules and non-magnetic molecules. Our study will provide insight into predictions of magnetic properties of single-molecule magnets where self-interaction corrections play a critical role. There are two components of this project. In the first work, we studied the electronic structure of a planar mononuclear Cu-based molecule in two oxidation states, using DFT with the FLO-SIC method. We chose this system because it is small enough and it includes a transition metal element. We found that the standard FLO-SIC method takes too much compute time even for the small transition-metal molecule and so we slightly modified the method in order to expedite the process. In the dianionic state, we found that the FLO-SIC spin density agrees quantitatively with accurate quantum chemistry methods, while DFT spin density without self-interaction corrections are severely deviated from the quantum chemistry methods. We also showed that the energy gap between the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) of the dianionic state is larger than that of the monoanionic state. This result is consistent with experimental data. In the second work, we investigated how the interaction between the electron spin and nuclear spin is affected by electron self-interactions within small non-magnetic and magnetic molecules. Such an interaction is called hyperfine interaction. For molecules without significant orbital angular momentum, the hyperfine interaction consists of Fermi contact and dipolar interaction terms. Since the Fermi contact term depends on electron spin density at the nuclear site, it would be highly affected by self-interaction corrections. Therefore, we calculated the hyperfine interaction for the small molecules using DFT with the slightly modified expedited FLO-SIC method which was obtained in the first work, and compared the results to experimental data and DFT calculations without self-interaction corrections. We found significant improvement of the Fermi contact term computed using the FLO-SIC method for small magnetic molecules. Overall, the first and second work provided positive outlook of application of the FLO-SIC method to magnetic molecules and systems including transition-metal elements.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A theoretical kinetic study of ĊH 3 + ṄH 2 : From electronic structure to NH 3 /CH 4 combustion modelling implications

Carbon–nitrogen interaction reactions play an important role in governing the reactivity of ammonia blended fuels. However, there remains uncertainties regarding their detailed reaction pathways and rate constants, hampering the development of high-fidelity chemical kinetic models. In this study, the kinetics of ĊH 3 + ṄH 2 , a key C–N interaction reaction in ammonia/methane blend combustion have been investigated. The potential energy surface has been explored using the high-level ANL0F method, yielding highly accurate stationary point energies that agree with ATcT values within 0.1 kcal mol –1 . Variable reaction coordinate transition state theory is used to treat the barrierless association and decomposition reaction channels, based on directly sampled radical-radical interaction energies at the CASPT2-F12(2e,2o)/cc-pVTZ-F12 level of theory. The minimum transitional mode numbers of states obtained are then coupled with the RRKM/master equation to calculate temperature- and pressure-dependent rate constants. Our a priori calculations capture available experimental measurements from the literature very well. The calculated rate constants have been incorporated into an NH 3 /CH 4 chemical kinetic model currently under development at the University of Galway. The effect of the updated kinetic data for ĊH 3 + ṄH 2 on model predicted NH 3 /CH 4 fuel reactivity is elucidated.

ab initio↗
DOE OSTI2021

Tribute to Lawrence R. Pratt

Lawrence Pratt’s career following completion of his Ph.D. at the University of Illinois Urbana Champaign has taken him from Harvard University, to the University of California, Berkeley, and Los Alamos National Laboratory. Most recently, he joined the faculty of the Department of Chemical and Biomolecular Engineering at Tulane University in 2008. Over his career Lawrence has been a leader in theoretical physical chemistry, making influential contributions to a number of areas including the theory of the hydrophobic effect, the development of transition path sampling, contributions to orbital free density functional theory, and the theory of liquids and solutions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Tropical Cyclone Frequency

Abstract The frequency with which tropical cyclones (TCs) occur controls all other aspects of tropical cyclone risk since a storm that does not occur can do no harm. Yet this frequency is poorly understood. There is no accepted theory that explains the average number of TCs that occur each year on the Earth, nor how that number will change with global warming. Arguments based on global budgets of heat or moisture do not yet appear helpful, nor does a detailed understanding of the physical processes of TC genesis. Empirical indices that predict TC frequency as a function of large‐scale environmental variables can explain some of its relative variations in space and time, but not its absolute value. Global numerical models with horizontal grid spacings on the order of 25–50 km have allowed much improved simulations of TC activity, however. Many such models project a decrease in frequency with warming, but some project an increase. Idealized simulations, including those at higher resolutions, offer promise by allowing a systematic, deductive investigation of the roles of individual environmental factors. In addition to the larger‐scale environmental modulation of genesis likelihood, precursor disturbances, or “seeds”, may exert an independent influence on TC frequency.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

A metastable pentagonal 2D material synthesized by symmetry-driven epitaxy

Most two-dimensional (2D) materials experimentally studied so far have hexagons as their building blocks. Only a few exceptions, such as PdSe 2 , are lower in energy in pentagonal phases and exhibit pentagons as building blocks. Although theory has predicted a large number of pentagonal 2D materials, many of these are metastable and their experimental realization is difficult. Here, in this paper, we report the successful synthesis of a metastable pentagonal 2D material, monolayer pentagonal PdTe 2 , by symmetry-driven epitaxy. Scanning tunnelling microscopy and complementary spectroscopy measurements are used to characterize this material, which demonstrates well-ordered low-symmetry atomic arrangements and is stabilized by lattice matching with the underlying Pd(100) substrate. Theoretical calculations, along with angle-resolved photoemission spectroscopy, reveal monolayer pentagonal PdTe 2 to be a semiconductor with an indirect bandgap of 1.05 eV. Our work opens an avenue for the synthesis of pentagon-based 2D materials and gives opportunities to explore their applications such as multifunctional nanoelectronics.

interfaces↗