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At least 271 records · Page 15

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DOE OSTI2026

Altered morphology and diffusivity of water confined in MXenes: Machine learning–accelerated computations combined with experiments

Nanoconfined water exhibits unique properties compared to bulk water due to limited quantities, frustrated hydrogen bonding, and surface interactions, which are fundamental for energy storage and transport applications. We integrate machine learning–accelerated ab initio molecular dynamics with x-ray diffraction (XRD) and inelastic neutron scattering (INS) to systematically analyze the thermodynamic and dynamic behavior of water confined between functionalized (-F, -O, and -OH) two-dimensional (2D) Ti 3 C 2 T x MXene layers. As water intercalates between layers, the interlayer spacing exhibits layer-dependent staging characteristics. The water polarization can be flipped by the count and morphology of intercalated molecules interacting with MXene surface groups, resulting in varying electrostatic potential profiles. On the basis of interfacial electrostatic potential, hydrogen bond lifetime, and molecular orientation, we establish a linear combination of exponential model describing water diffusivity. These computational insights align well with experimental x-ray and neutron measurements, suggesting strategies for tuning water morphology and transport by tailoring MXene surface chemistry and water content for electrochemical energy storage and nanofluidic applications.

Tang, Jiawei [Southeast Univ., Nanjing (China)] (O↗

NASA NTRS1975

Characteristics of instabilities in the magnetosphere deduced from wave observations

A general summary is presented of the types of unstable plasma distributions encountered in the magnetosphere. It is shown that gyroresonant interactions play an important role in magnetospheric dynamics. Electrostatic instabilities not driven by currents are considered and a description is presented of observations related to current-driven instabilities. Attention is also given to aspects of mode coupling. It is pointed out that during the last decade much progress has been made in the identification of specific instabilities. Better measurements of magnetospheric plasma distribution functions are needed for the solution of remaining problems.

Scarf, F. L.↗

NASA NTRS1980

Microscale instabilities in stream interaction regions

A theoretical investigation of the microstructure of solar wind stream interaction regions is presented. The role of several electrostatic kinetic instabilities is discussed which may be important within the stream interface and the compression region. Inside of 1 AU the interface is likely to be stable against the electrostatic streaming instabilities considered. Between 1 and 2 AU it is argued that the interface will excite the magnetized ion-ion instability. The compression region is also found to be unstable beyond 1 AU, where the modified two-stream instability, beam-cyclotron instability, and ion-acoustic instability will be important in determining the structure of the compressive pulses as they evolve into forward and reverse shocks. It is concluded that the modified two-stream instability and beam-cyclotron instability predominately play a role in heating the electrons to the threshold for the ion-acoustic instability.

Eviatar, A.↗

NASA NTRS1981

Computer code for charge-exchange plasma propagation

The propagation of the charge-exchange plasma from an electrostatic ion thruster is crucial in determining the interaction of that plasma with the associated spacecraft. A model that describes this plasma and its propagation is described, together with a computer code based on this model. The structure and calling sequence of the code, named PLASIM, is described. An explanation of the program's input and output is included, together with samples of both. The code is written in ASNI Standard FORTRAN.

Robinson, R. S.↗

NASA NTRS1982

PLASIM: A computer code for simulating charge exchange plasma propagation

The propagation of the charge exchange plasma for an electrostatic ion thruster is crucial in determining the interaction of that plasma with the associated spacecraft. A model that describes this plasma and its propagation is described, together with a computer code based on this model. The structure and calling sequence of the code, named PLASIM, is described. An explanation of the program's input and output is included, together with samples of both. The code is written in ANSI Standard FORTRAN.

Robinson, R. S.↗

NASA NTRS1986

The electron-cyclotron maser instability as a source of plasma radiation

The generation of continuum bursts from the sun at dm and m wavelengths (in particular, type IV bursts) via the electron-cyclotron-maser instability is examined. The maser instability can be driven by an electron distribution with either a loss-cone anisotropy or a peak at large pitch angles. For omega(p)/Omega(e) much greater than 1, the maser emission is produced by electrons interacting through a harmonic (cyclotron) resonance and is electrostatic, being in the upper hybrid mode at frequencies approximately equal to omega(p). Coalescence processes are required to convert the electrostatic waves into transverse radiation which can escape from the source region. Whether the resultant spectrum is nearly a smooth continuum or has a zebra-stripe pattern (both of which occur in type IV bursts) depends on the form of the electron distribution, inhomogeneities in the density and magnetic field, and whether the maser reaches saturation. For at least the case of some type IV dm bursts with fine structure, comparison with observations seems to indicate that the electrons producing the emission are more likely to have a loss-cone distribution, and that the maser instability is not at saturation.

Winglee, R. M.↗

NASA NTRS1988

Simulation study of the ionizing front in the critical ionization velocity phenomenon

The simulation of the critical ionization velocity for a neutral gas cloud moving across the static magnetic field is presented. A low-beta plasma is studied, using a two and a half-dimensional electrostatic code linked with the Plasma and Neutral Interaction Code (Goertz and Machida, 1987). The physics of the ionizing front and the instabilities which occur there are discussed. Results are presented from four numerical runs designed so that the effects of the charge separation field can be distinguished from the wave heating.

Machida, S.↗

NASA NTRS1991

'Self-consistent' production of ion conics on return current region auroral field lines - A time-dependent, semi-kinetic model

We describe initial results from a time-dependent, semi-kinetic model of plasma outflow incorporating wave-particle interactions along current-carrying auroral field lines. Electrostatic waves are generated by the current driven ion cyclotron instability (CDICI), causing perpendicular velocity diffusion of ions plus electron heating via anomalous resistivity when and where the relative drift between electrons and ions exceeds certain critical velocities. Using the local bulk parameters we calculate these critical velocities, and so are able to self-consistently switch on and off the heating of the various particle species. Due to the dependence of these critical velocities on the bulk parameters of the species the heating effects exhibit quite complex spatial and temporal variations. A wide range of ion distribution functions are observed in these simulations, including conics with energies of a few electron volts and 'ring' distributions. The rings are seen to be a natural result of transverse heating and velocity filter effects and do not require coherent acceleration processes. We also observe the formation of a density depletion in hydrogen and enhanced oxygen densities at high altitudes.

Brown, David G.↗

NASA NTRS1993

On the stability of nongyrotropic ion populations - A first (analytic and simulation) assessment

The wave and dispersion equations for perturbations propagating parallel to an ambient magnetic field in magnetoplasmas with nongyrotropic ion populations show, in general, the occurrence of coupling between the parallel (left- and right-hand circularly polarized electromagnetic and longitudinal electrostatic) eigenmodes of the associated gyrotropic medium. These interactions provide a means to driving linearly one mode with free-energy sources of other modes in homogeneous media. Different types of nongyrotropy bring about distinct classes of coupling. The stability of a hydrogen magnetoplasma with anisotropic, nongyrotropic protons that only couple the electromagnetic modes to each other is investigated analytically (via solution of the derived dispersion equation) and numerically (via simulation with a hybrid code). Nongyrotropy enhances growth and enlarges the unstable spectral range relative to the corresponding gyrotropic situation. The relevance of the properties of nongyrotropic populations to space plasma environments is also discussed.

Brinca, A. L.↗

DOE OSTI2025

Structural Evidence of Interanionic Hydrogen Bonding in Phosphoric Acid Solutions

Interanionic hydrogen bonding (IAHB) is a noncovalent interaction between like-charged ions that challenges conventional electrostatic understanding. This study provides direct structural evidence of IAHB in concentrated aqueous phosphoric acid (PA) solutions, which exhibit >60% dissociation under these conditions. Oxygen K-edge X-ray absorption fine structure spectroscopy, combined with electron affinity time-dependent density functional theory calculations, reveals the formation of stable, cyclic phosphate-phosphate IAHB dimers at PA concentrations ≥7 M. Extended X-ray absorption fine structure data show distinct long-range ordering consistent with these dimers, and near-edge X-ray absorption fine structure spectra confirm a concentration-dependent transition from monomeric to dimeric species. Energy decomposition analysis through density functional theory shows that the formation of solution-phase IAHB is energetically favored and is attributed to polarization of and the charge transfer between the two fragments driven by the surrounding solvent molecules, in addition to the permanent electrostatics. These findings offers crucial structural insights into the H-bonded networks in concentrated PA, highlighting the critical role of solvent in facilitating anion–anion association.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2000

Increasing Importance of Material Electrical Interaction with the Space Environment

The electrical properties of materials have always been important for spacecraft in charging environments. However, in recent years consideration of interactions of materials and systems with the plasma environment has become more and more important in spacecraft design. This has primarily been driven by independent factors including increase in power and high voltage power systems, operation of tethered satellites, and science requirements for electrostatic clean spacecraft. Increased need for power has led to increased operating voltages for spacecraft. The Upper Atmospheric Research Satellite (UARS) was one of the first to operate at near 100 V solar array potential and demonstrate that the spacecraft floated nearly the entire voltage negative of the ionospheric plasma. The high voltage, 160 V, of the solar arrays on the International Space Station (ISS) led to the requirement to have a plasma contactor to control structure potential relative to the local plasma. Issues such as sputtering, dielectric breakdown, capacitive energy storage in the structure, space debris impact induced arcs and other arcing mechanisms had to be addressed. Recently commercial satellites, driven to higher voltages for efficiency, have experienced arcing problems which led to severe, permanent power degradation. The first tethered satellite, Tethered Satellite System (TSS), was deployed from the Space Shuttle. A conductive coating was developed which provided a low resistivity and also the required solar absorptivity and emittance. Other tether systems are being designed which will have similar requirements but also long life and "bare tether" designs are also being built for flight experiments. The wire requires an electrically conductive coating with proper thermal control properties, which a bare wire doesn't possess. Increasing sophistication of scientific instruments and measurements which scientists want to make have led to increasing requirements for conducting thermal control coatings to provide electrostatic cleanliness. These issues, which are increasing the importance of electrical interaction of materials to the space environment, will be discussed in this paper as well as research into material development to meet thermal and electrical requirements and research to understand phenomena regarding such interactions.

Carruth, M. R., Jr.↗

DOE OSTI2025

Efficient Mn 2+ Doping in Non-Stoichiometric Cesium Lead Bromide Perovskite Quantum Dots

Doping magnetic transition metal ions (e.g., Mn 2+ ) into colloidal quantum dots endows novel optical and magnetic properties to the host materials. CsPbBr 3 quantum dots (QDs) are emerging light-emitting materials with high structural and chemical flexibility in the visible spectral regime. However, efficiently doping Mn 2+ ions in CsPbBr 3 QDs remains challenging, especially when size confinement and ensemble uniformity are needed for understanding the underexplored exciton-dopant exchange interaction. Here, we introduce a doping mechanism based on electrostatic surface Mn 2+ adsorption that enables efficient Mn 2+ incorporation in strongly confined CsPbBr 3 QDs. The resultant QDs are found to have a Cs-deficient stoichiometry compared to their undoped counterparts. A redox reaction-based purification method was developed to remove Mn 2+ cations that are tightly adsorbed on the surface to determine the concentration of lattice-incorporated Mn 2+ . Our synthesis enables a Mn 2+ doping/alloying concentration of up to ∼44% with a Mn 2+ photoluminescence efficiency exceeding 90%. This allows for the determination of the intrinsic exciton-to-dopant energy transfer rate.

Hidayatova, Lamia [Univ. of Oklahoma, Norman, OK (↗

NASA NTRS1968

Inhomogeneous two-stream instability.

Two oppositely charged particle beams interaction instability in cold plasma, discussing stabilization by periodic electrostatic potential

Knorr, G.↗

NASA NTRS1973

Statistical mechanics of negative temperature states

The dynamics of two-dimensional interacting line vortices is identical to that of the two-dimensional electrostatic guiding center plasma. Both are Hamiltonian systems and are therefore susceptible to statistical mechanical treatments. The predictions of the microcanonical ensemble are explored for this system. Interest focuses primarily on the regime of total positive interaction energy, which should be above the Onsager negative temperature threshold. Calculations of the probability distribution for a component by means of the central limit theorem are carried out in the manner of Khinchin. The probability distribution of a component reduced to the usual Gibbs distribution in the regime of positive temperatures, and is still explicitly calculable for negative temperatures. The negative temperature states are neither quiescent nor spatially uniform. Expressions for the temperature are explicitly provided in terms of the total particle energy and particle number. A BBGKY hierarchy can be derived for both temperature regimes. Numerical simulations involving solutions of the equations of motion of 4008 particles are presented.

Montgomery, D. C.↗

NASA NTRS1980

The Pioneer Venus Orbiter plasma analyzer experiment

The plasma analyzer experiment on the Pioneer Venus Orbiter was designed to determine the basic characteristics of the plasma environment of Venus and the nature of the solar wind interaction at Venus. The plasma analyzer experiment is an electrostatic energy-per-unit charge (E/Q) spectrometer which measures ions and electrons. There is a curved plate electrostatic analyzer system with multiple collectors. The experiment obtains the three dimensional plasma distribution function. Some of the scientific objectives of the instrument are briefly discussed, the general characteristics of the experiment are summarized, and some of the analyses based on the data are presented.

Intriligator, D. S.↗

NASA NTRS1990

Properties of large scale plasma flow during the early stage of the plasmaspheric refilling

The objective is to better characterize the macroscopic properties of the interhemisphere plasma flow by solving a more complete set of hydrodynamic equations than that solved previously. Specifically, the ion continuity, momentum and energy equations were solved for the plasma flow along the closed magnetic field lines. During the initial stage of the supersonic outflow in the equatorial region, the ions cool substantially. Using the hydrodynamic model for the large-scale plasma flow, the dynamics of shocks was examined which form in the geomagnetic flux tubes during the early stages of refilling. These shocks are more like those forming in neutral gases than the electrostatic shocks driven by microinstabilities involving ion-ion interaction. Therefore, the shocks seen in the hydrodynamic model are termed as hydrodynamic shocks. Such shocks are generally unsteady and therefore the usual shock jump conditions given by Rankine-Hugoniot relations are not strictly applicable to them. The density, flow velocity and temperature structures associated with the shocks are examined for both asymmetrical and symmetrical flows. In the asymmetrical flow the outflow from one of two conjugate ionospheres is dominant. On the other hand, in the symmetrical case outflows from the two ionospheric sources are identical. Both cases are treated by a two-stream model. In the late type of flow, the early-time refilling shows a relaxation type of oscillation, which is driven by the large-scale interactions between the two identical streams. After this early stage, the resulting temperature structure shows some interesting features. In the equatorial region the streams are isothermal, but in the off-equatorial regions the streams have quite different temperatures, and also densities and flow velocities. The dense and slow stream is found to be warmer than the low-density fast stream. In the late stage of refilling, the temperature is found to steadily increase from the conjugate ionospheres towards the equator; the equatorial temperature is found to be as high as about 8000 K compared to the ionospheric temperature of 3600 K.

Singh, Nagendra↗

NASA NTRS2005

A Dynamic Fountain Model for Lunar Dust

During the Apollo era of exploration it was discovered that sunlight was scattered at the terminators giving rise to horizon glow and streamers above the lunar surface. This was observed from the dark side of the Moon during sunset and sunrise by both surface landers and astronauts in orbit. These observations were quite unexpected, as the Moon was thought to be a pristine environment with a negligible atmosphere or exosphere. Subsequent investigations have shown that the sunlight was most likely scattered by electrostatically charged dust grains originating from the surface. It has since been demonstrated that this dust population could have serious implications for astronomical observations from the lunar surface. The lunar surface is electrostatically charged by the Moon s large-scale interaction with the local plasma environment and the photoemission of electrons due to solar ultra-violet (UV) light and X-rays. The like-charged surface and dust grains then act to repel each other, such that under certain conditions the dust grains are lifted above the surface. We present a dynamic fountain model which can explain how sub-micron dust is able to reach altitudes of up to approximately 100 km above the lunar surface. Previous static dust levitation models are most applicable to the heavier micron-sized grains in close proximity proximity to the surface, but they cannot explain the presence of extremely light grains at high altitudes. If we relax the static constraint applied to previous models, and instead assume that the grains are in constant motion (under the action of dynamic forces), a new picture emerges for the behavior of sub-micron lunar dust.

Stubbs, T. J.↗

NASA NTRS1976

Magnetospheric dynamics and wave-particle interactions

It has been demonstrated that two general classes of wave-particle interactions are of great importance for magnetospheric dynamics. Electromagnetic and electrostatic plasma instabilities give rise to relatively narrow-banded spontaneous emissions (e.g., ELF hiss, chorus, three-halves noise, ion cyclotron and ion-plasma-frequency turbulence) that can scatter trapped particles into the loss cone, leading to modified pitch-angle distributions, stable trapping limits, diffuse aurora, proton precipitation events, etc. The current-driven plasma instabilities give rise to impulsive ion acoustic or Buneman mode turbulence that provides very effective energy transfer (via the anomalous conductivity mechanism) at the bow shock and in regions where strong field-aligned currents are observed. We review these interactions and identify significant open questions that must be investigated during the IMS.

Scarf, F. L.↗