Results for “energy density functional” — Page 9

NASA NTRS2007

Global Simulation of Electromagnetic Ion Cyclotron Waves

It is very well known that the effects of electromagnetic ion cyclotron (EMIC) waves on ring current (RC) ion and radiation belt (RB) electron dynamics strongly depend on such particle/wave characteristics as the phase-space distribution function, frequency, wave-normal angle, wave energy, and the form of wave spectral energy density. The consequence is that accurate modeling of EMIC waves and RC particles requires robust inclusion of the interdependent dynamics of wave growth/damping, wave propagation, and particles. Such a self-consistent model is being progressively developed by Khazanov et al. This model is based on a system of coupled kinetic equations for the RC and EMIC wave power spectral density along with the ray tracing equations. We will discuss the recent progress in understanding EMIC waves formation mechanisms in the inner magnetosphere. This problem remains unsettled in spite of many years of experimental and theoretical studies. Modern satellite observations by CRRES, Polar and Cluster still do not reveal the whole picture experimentally since they do not stay long enough in the generation region to give a full account of all the spatio-temporal structure of EMIC waves. The complete self-consistent theory taking into account all factors significant for EMIC waves generation remains to be developed. Several mechanisms are discussed with respect to formation of EMIC waves, among them are nonlinear modification of the ionospheric reflection by precipitating energetic protons, modulation of ion-cyclotron instability by long-period (Pc3/4) pulsations, reflection of waves from layers of heavy-ion gyroresonances, and nonlinearities of wave generation process. We show that each of these mechanisms have their attractive features and explains certain part experimental data but any of them, if taken alone, meets some difficulties when compared to observations. We conclude that development of a refined nonlinear theory and further correlated analysis of modern satellite and ground-based data is needed to solve this very intriguing problem.

Khazanov, George V.↗

NASA NTRS2011

A Simple, Analytical Model of Collisionless Magnetic Reconnection in a Pair Plasma

A set of conservation equations is utilized to derive balance equations in the reconnection diffusion region of a symmetric pair plasma. The reconnection electric field is assumed to have the function to maintain the current density in the diffusion region, and to impart thermal energy to the plasma by means of quasi-viscous dissipation. Using these assumptions it is possible to derive a simple set of equations for diffusion region parameters in dependence on inflow conditions and on plasma compressibility. These equations are solved by means of a simple, iterative, procedure. The solutions show expected features such as dominance of enthalpy flux in the reconnection outflow, as well as combination of adiabatic and quasi-viscous heating. Furthermore, the model predicts a maximum reconnection electric field of E(sup *)=0.4, normalized to the parameters at the inflow edge of the diffusion region.

Hesse, Michael↗

NASA NTRS2018

Application of Ab Initio Methods in the Development of Advanced Technical Ceramics

A significant need exists to develop materials not only capable of providing desired electronic and mechanical properties but also survival at extreme temperatures during service and device fabrication, such as co-firing. Computational methods offers an efficient and systematic manner to design new materials and guide their development. As an example computational -based material approaches can be used to determine the suitability of a given materials as a practical thermoelectric for energy harvesting. In this presentation examples are given of applications to relevant technical ceramics such as thermoelectrics, dielectrics, and magnetic systems. The calculation were based on density functional theory and carried out with norm conserving and projector augmented wave (PAW) methods using commercial codes Materials Studio ( Biovia, Inc) with the Cambridge Serial Total Energy Package (CASTEP) and MedeA (Materials Design Inc.) utilizing the Vienna Ab-initio Simulation Package (VASP) as the respective computational engines. This study makes predictions of relevant technical properties of ceramic materials.

thermoelectric↗

NASA NTRS1972

The global energy budget of the thermosphere.

Experimental neutral atmospheric density and temperature profiles can be used to calculate the energy content variations of a given region as a function of time, season and location for which the data are available. Such calculations may then be compared with estimated energy inputs and losses to determine what other mechanisms may be important. In the present paper a model based on both incoherent scatter data from Arecibo, Nancay, and Jicamarca and satellite density measurements is used to derive the global distributions of thermal energy content and losses in the thermosphere. The energy sources and transport mechanisms required for global thermal balance are then discussed.

Swartz, W. E.↗

NASA NTRS1983

Theoretical study of the freezing of polystyrene sphere suspensions

A theoretical study of melting in aqueous suspensions of polystyrene spheres is presented. The Helmholtz free energies of the liquid and solid phase of the suspensions are calculated as functions of sphere number density and electrolyte concentrations. The results tend to show that the freezing curve of such suspensions is that of a conventional classical liquid with repulsive short-range interactions. The interactions can be treated satisfactorily within a slightly modified Debye-Hueckel approximation. The modifications include size correction and a correction for nonlinear screening. The results are confirmed by analogous calculations for the solid phase, and for the line along which liquid and solid free energies are equal.

Shih, W.-H.↗

NASA NTRSDate not supplied

SelenITA: A dual-spacecraft lunar CubeSat mission to characterize the near-surface electromagnetic plasma environment

SelenITA is an international interdisciplinary mission consisting of two CubeSats that will provide the first multi-point measurement in a sustained low lunar orbit. This mission will advance the understanding of spatiotemporal differentiation of the electromagnetic space environment at the Moon in support of Artemis crew and the geosciences. The mission science objectives are to: (1) further constrain the origins of crustal magnetic fields and their applications; (2) determine the nature of plasma interactions with crustal magnetic fields; (3) characterize plasma waves and turbulence at the Moon; (4) characterize the lunar surface potential in all plasma environments; (5) constrain the composition, thermal state, and structure of the lunar upper mantle and crust; (6) characterize the ionizing radiation in lunar orbit; (7) determine the density of the dust exosphere as a function of latitude, longitude, and altitude, including the lunar polar space environment. The measurement requirements include: 3-component vector magnetic field, plasma distribution (flux, energy, density, temperature), energetic particles (protons, electrons, gamma rays), and dust. SelenITA builds on a rich history of electromagnetic plasma observations of the near lunar surface and space environment, and it answers high level science questions with state of the art instruments in a small package. PLAIN LANGUAGE ABSTRACT – SelenITA comes from the greek word for Moon, selene, with the addition of “ITA” as a reference to the Brazilian teammate, Instituto Tecnológico de Aeronáutica. In addition, in Portuguese "ita" is a prefix similar to "ite" in English, used in naming minerals, so Selenita could be seen as a lunar gemstone. In Spanish, “ita” is a diminutive suffix for “little” which is appropriate for this CubeSat mission which consists of twin 12U CubeSats in low lunar orbit. The primary science goal of the mission is to distinguish time varying features within the electromagnetic plasma environment near the surface of the Moon. The science objectives include investigating the origins of crustal magnetic fields, plasma interactions with these fields, plasma waves, surface potential, and interior properties. This mission is also interested in the radiation environment at the Moon and the amount of dust at the lunar poles. This is important because it helps us understand how future astronauts will live and work on the lunar surface and identify hazards.

space weather↗

NASA NTRSDate not supplied

SelenITA: A Dual-Spacecraft Lunar Cubesat Mission to Characterize the Near-Surface Electromagnetic Plasma Environment

SelenITA is an international interdisciplinary mission consisting of two CubeSats that will provide the first multi-point measurement in a sustained low lunar orbit. This mission will advance the understanding of spatiotemporal differentiation of the electromagnetic space environment at the Moon in support of Artemis crew and the geosciences. The mission science objectives are to: (1) further constrain the origins of crustal magnetic fields and their applications; (2) determine the nature of plasma interactions with crustal magnetic fields; (3) characterize plasma waves and turbulence at the Moon; (4) characterize the lunar surface potential in all plasma environments; (5) constrain the composition, thermal state, and structure of the lunar upper mantle and crust; (6) characterize the ionizing radiation in lunar orbit; (7) determine the density of the dust exosphere as a function of latitude, longitude, and altitude, including the lunar polar space environment. The measurement requirements include: 3-component vector magnetic field, plasma distribution (flux, energy, density, temperature), energetic particles (protons, electrons, gamma rays), and dust. SelenITA builds on a rich history of electromagnetic plasma observations of the near lunar surface and space environment, and it answers high level science questions with state of the art instruments in a small package.

space weather↗

NASA NTRSDate not supplied

SelenITA: A Dual-Spacecraft Lunar CubeSat Mission to Characterize the Near-Surface Electromagnetic Plasma Environment

SelenITA is an international interdisciplinary mission consisting of two CubeSats that will provide the first multi-point measurement in a sustained low lunar orbit. This mission will advance the understanding of spatiotemporal differentiation of the electromagnetic space environment at the Moon in support of Artemis crew and the geosciences. The mission science objectives are to: (1) further constrain the origins of crustal magnetic fields and their applications; (2) determine the nature of plasma interactions with crustal magnetic fields; (3) characterize plasma waves and turbulence at the Moon; (4) characterize the lunar surface potential in all plasma environments; (5) constrain the composition, thermal state, and structure of the lunar upper mantle and crust; (6) characterize the ionizing radiation in lunar orbit; (7) determine the density of the dust exosphere as a function of latitude, longitude, and altitude, including the lunar polar space environment. The measurement requirements include: 3-component vector magnetic field, plasma distribution (flux, energy, density, temperature), energetic particles (protons, electrons, gamma rays), and dust. SelenITA builds on a rich history of electromagnetic plasma observations of the near lunar surface and space environment, and it answers high level science questions with state of the art instruments in a small package. PLAIN LANGUAGE ABSTRACT – SelenITA comes from the greek word for Moon, selene, with the addition of “ITA” as a reference to the Brazilian teammate, Instituto Tecnológico de Aeronáutica. In addition, in Portuguese "ita" is a prefix similar to "ite" in English, used in naming minerals, so Selenita could be seen as a lunar gemstone. In Spanish, “ita” is a diminutive suffix for “little” which is appropriate for this CubeSat mission which consists of twin 12U CubeSats in low lunar orbit. The primary science goal of the mission is to distinguish time varying features within the electromagnetic plasma environment near the surface of the Moon. The science objectives include investigating the origins of crustal magnetic fields, plasma interactions with these fields, plasma waves, surface potential, and interior properties. This mission is also interested in the radiation environment at the Moon and the amount of dust at the lunar poles. This is important because it helps us understand how future astronauts will live and work on the lunar surface and identify hazards.

space weather↗

NASA NTRS2024

Anisotropy of Density Fluctuations in the Solar Wind at 1 au

A well-known property of solar wind plasma turbulence is the observed anisotropy of the autocorrelations, or equivalently the spectra, of velocity and magnetic field fluctuations. Here we explore the related but apparently not well-studied issue of the anisotropy of plasma density fluctuations in the energy-containing and inertial ranges of solar wind turbulence. Using 10 yr (1998–2008) of in situ data from the Advanced Composition Explorer mission, we find that for all but the fastest wind category, the density correlation scale is slightly larger in directions quasi-parallel to the large-scale mean magnetic field as compared to quasi-perpendicular directions. The correlation scale in fast wind is consistent with isotropic. The anisotropy as a function of the level of correlation is also explored. We find at small correlation levels, i.e., at energy-containing scales and larger, the density fluctuations are close to isotropy for fast wind, and slightly favor more rapid decorrelation in perpendicular directions for slow and medium winds. At relatively smaller (inertial range) scales where the correlation values are larger, the sense of anisotropy is reversed in all speed ranges, implying a more "slablike" structure, especially prominent in the fast wind samples. We contrast this finding with published results on velocity and magnetic field correlations.

Interplanetary turbulence↗

NASA NTRS1979

Some initial ISEE-1 results on the ring current composition and dynamics during the magnetics storm of December 11, 1977

On December 11, 1977 the ISEE-1 spacecraft traversed the equatorial magnetosphere in the prenoon and dawn sectors during the early recovery phase of a magnetic storm with peak DST of -125 gamma. Along the dayside leg O(+) was comparable to or exceeded H(+) in number density in the energy range 0.1-17 keV. The velocity distribution of O(+) showed a characteristic dispersion, consistent with the ions being transported to the dayside from the dusk to midnight sector. The high-energy slope of the H(+) and O(+) distribution functions showed different radial dependence, with the slope of H(+) being consistent with a harder component carrying most of the energy density.

Lennartsson, W.↗

NASA NTRS1990

Time-dependent treatment of scattering. II - Novel integral equation approach to quantum wave packets

The novel wave-packet propagation scheme presented is based on the time-dependent form of the Lippman-Schwinger integral equation and does not require extensive matrix inversions, thereby facilitating application to systems in which some degrees of freedom express the potential in a basis expansion. The matrix to be inverted is a function of the kinetic energy operator, and is accordingly diagonal in a Bessel function basis set. Transition amplitudes for various orbital angular momentum quantum numbers are obtainable via either Fourier transform of the amplitude density from the time to the energy domain, or the direct analysis of the scattered wave packet.

Sharafeddin, Omar A.↗

NASA NTRS1981

A quantitative study of factors influencing lamellar eutectic morphology during solidification

The factors that influence the shape of the solid-liquid interface of a lamellar binary eutectic alloy are evaluated. Alloys of carbon tetrabromide and hexachloroethane which serve as a transparent analogue of lamellar metallic eutectics are used. The observed interface shapes are analyzed by computer-aided methods. The solid-liquid interfacial free energies of each of the individual phases comprising the eutectic system are measured as a function of composition using a 'grain boundary groove' technique. The solid-liquid interfacial free energy of the two phases are evaluated directly from the eutectic interface. The phase diagram for the system, the heat of fusion as a function of composition, and the density as a function of composition are measured. The shape of the eutectic interface is controlled mainly by the solid-liquid and solid-solid interfacial free energy relationships at the interface and by the temperature gradient present, rather than by interlamellar diffusion in the liquid at the interface, over the range of growth rates studied.

Kaukler, W. F. S.↗

NASA NTRS2007

The Chaotic Light Curves of Accreting Black Holes

We present model light curves for accreting Black Hole Candidates (BHC) based on a recently developed model of these sources. According to this model, the observed light curves and aperiodic variability of BHC are due to a series of soft photon injections at random (Poisson) intervals and the stochastic nature of the Comptonization process in converting these soft photons to the observed high energy radiation. The additional assumption of our model is that the Comptonization process takes place in an extended but non-uniform hot plasma corona surrounding the compact object. We compute the corresponding Power Spectral Densities (PSD), autocorrelation functions, time skewness of the light curves and time lags between the light curves of the sources at different photon energies and compare our results to observation. Our model reproduces the observed light curves well, in that it provides good fits to their overall morphology (as manifest by the autocorrelation and time skewness) and also to their PSDs and time lags, by producing most of the variability power at time scales 2 a few seconds, while at the same time allowing for shots of a few msec in duration, in accordance with observation. We suggest that refinement of this type of model along with spectral and phase lag information can be used to probe the structure of this class of high energy sources.

Kazanas, Demosthenes↗

NASA NTRS1979

Influence of interface on composite failure

The influence of the interface on the composite system behavior is investigated by analytical modeling. The stress analysis is based on the two-dimensional finite element procedure in which twelve-node isoparametric elements with cubic shape functions are used. The location of possible failure sites is predicted by the strain energy density (SED) failure theory which assumes failure to coincide with locations of minimum SED while the locations of maximum SED correspond to regions of excessive distortion or yielding. The results of the analysis show that the way in which the modulus of elasticity varies within the interface is as important in modeling as the average interface modulus.

Sih, G. C.↗

NASA NTRS1997

Electrodeposited CuInSe2 Thin Film Junctions

We have investigated thin films and junctions based on copper indium diselenide (CIS) which have been grown by electrochemical deposition. CIS is a leading candidate for use in polycrystalline thin film photovoltaic solar cells. Electrodeposition is a cost-effective method for producing thin-film CIS. We have produced both p and n type CIS thin films from the same aqueous solution by simply varying the deposition potential. A CIS pn junction was deposited using a step-function potential. Stoichiometry of the single layer films was determined by energy dispersive spectroscopy. Carrier densities of these films increased with deviation from stoichiometry, as determined by the capacitance versus voltage dependence of Schottky contacts. Optical bandgaps for the single layer films as determined by transmission spectroscopy were also found to increase with deviation from stoichiometry. Rectifying current versus voltage characteristics were demonstrated for the Schottky barriers and for the pn junction.

Raffaelle, R. P.↗

NASA NTRS1998

Electrodeposited CulnSe2 Thin Film Junctions

We have investigated thin films and junctions based on copper indium diselenide (CIS) which have been grown by electrochemical deposition. CIS is a leading candidate for use in polycrystalline thin film photovoltaic solar cells. Electrodeposition is a cost-effective method for producing thin-film CIS. We have produced both p and n type CIS thin films from the same aqueous solution by simply varying the deposition potential. A CIS pn junction was deposited using a step-function potential. Stoichiometry of the single layer films was determined by energy dispersive spectroscopy. Carrier densities of these films increased with deviation from stoichiometry, as determined by the capacitance versus voltage dependence of Schottky contacts. Optical bandgaps for the single layer films as determined by transmission spectroscopy were also found to increase with deviation from stoichiometry. Rectifying current versus voltage characteristics were demonstrated for the Schottky barriers and for the pn junction.

Raffaelle, R. P.↗

NASA NTRS1999

Electrostrictive Graft Elastomers and Applications

Efficient actuators that are lightweight, high performance and compact are needed to support telerobotic requirements for future NASA missions. In this work, we present a new class of electromechanically active polymers that can potentially be used as actuators to meet many NASA needs. The materials are graft elastomers that offer high strain under an applied electric field. Due to its higher mechanical modulus, this elastomer also has a higher strain energy density as compared to previously reported electrostrictive polyurethane elastomers. The dielectric, mechanical and electromechanical properties of this new electrostrictive elastomer have been studied as a function of temperature and frequency. Combined with structural analysis using x-ray diffraction and differential scanning calorimetry on the new elastomer, structure-property interrelationship and mechanisms of the electric field induced strain in the graft elastomer have also been investigated. This electroactive polymer (EAP) has demonstrated high actuation strain and high mechanical energy density. The combination of these properties with its tailorable molecular composition and excellent processability makes it attractive for a variety of actuation tasks. The experimental results and applications will be presented.

Su, J.↗

NASA NTRS2022

Energy Landscape, and Structural and Spectroscopic Characterization of Diazirine and Its Cyclic Isomers

Identifying new nitrogenated hydrocarbon molecules in the interstellar medium (ISM) is challenging due to the lack of comprehensive spectroscopic data from experiments. In this computational work, we focus on investigating the structures, relative energies, spectroscopic constants, and energy landscape of the cyclic isomers of diazirine (c-CH2N2) using ab initio quantum chemical methods. Density functional theory (DFT) methods and coupled cluster theory with singles and doubles including perturbative triples [CCSD(T)] and CCSD(T) with the explicitly correlated F12 b correction [CCSD(T)-F12b] were employed for this purpose along with large correlation consistent cc-pVTZ, cc-pVQZ, and cc-pV5Z basis sets. Harmonic vibrational frequencies, infrared vibrational intensities, rotational constants, and dipole moments are reported. An harmonic vibrational fundamentals along with centrifugal distortion constants, and vibration-rotation interaction constants are also reported for all the cyclic isomers. The energies computed with the CCSD(T) and CCSD(T)-F12b methods were extrapolated to the one-particle complete basis set (CBS) limit following a three-point formula. At the CCSD(T)-F12b/CBS level of theory the 3,3H-diazirine (c-CH2N2) is the lowest energy cyclic isomer followed by 1,3H-diazirine, (E)-1,2H-Diazirine, and (Z)-1,2H-diazirine which are 20.1, 47.8, and 51.3kcal mol-1above the 3,3H-Diazirine, respectively. Accurate structures and spectroscopic constants that are reported here could be useful for future identification of these cyclic nitrogenated organic molecules in the interstellar medium or circumstellar disks.

Energy Landscape↗