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At least 307 records · Page 17

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NASA NTRS1988

Simulation and non-linear stage of the electrostatic waves observed during the AMPTE lithium release in the solar wind

During the AMPTE lithium releases in the solar wind intense electrostatic waves with frequencies between a few tens of Hz to several kHz were observed outside the diamagnetic cavity. The results of linear Vlasov theory have suggested that these waves may be generated through two types of instabilities. One is the ion-ion instability associated with the relative drift between the lithium ions and the solar wind protons, and the other is the ion-acoustic instability due to the relative drift between the electrons and the ions. In order to look at the non-linear behavior of the wave-particle interactions, and discern the effect of waves on the particles, full particle electrostatic simulations have been performed, and the results are presented here. It is shown that the ion-ion instability whose phase velocity is oblique to the solar wind velocity can cause considerable anisotropic 'heating' of both the lithium ions and the solar wind protons.

Omidi, N.↗

NASA NTRS1996

Lack of Evidence for Prenucleation Aggregate Formation in Lysozyme Crystal Growth Solutions

There have been numerous claims of large concentrations of prenucleation aggregates in supersaturated as well as undersaturated lysozyme solutions at high salt concentrations. The presence of these aggregates was derived from measurements of the light or neutron scattering intensity, ultracentrifugation and dialysis behavior, as well as over-simplified crystal growth kinetics considerations. In all these interpretations it has been assumed that lysozyme solutions are either ideal or that protein interactions are independent of salt concentration. Contrary to these presumptions, our static and dynamic light scattering experiments provide evidence that lysozyme forms highly non-ideal, strongly interacting solutions. At low salt concentrations, the scattering intensities fall well below the values expected for an ideal, monomeric solution at the same protein concentration, while diffusivities increase with increasing protein concentration. Upon increase in salt concentration, these trends are eventually reversed. This enhancement in scattering intensity and decrease in diffusivity was widely interpreted as sign of aggregate formation. Yet, a quantitative interpretation of the scattering behavior over the whole salt concentration range can only be given in terms of a transition from net repulsion to net attraction between lysozyme monomers. Increased salt screening of the electrostatic repulsion among the protein macro-ions, together with attractive protein interactions, such as van der Waals, hydrophobic and hydration forces, provide an unambiguous mechanism for the observed transition and a more physical interpretation of the various observations.

Muschol, Martin↗

DOE OSTI2025

All-Atom Modeling and Simulation of Biopolymer Interface: Dual Role of Antifouling Polymer Brushes

Antifouling polymer brushes are well-known for their exceptional resistance to unwanted protein adsorption. While experimental studies have extensively characterized protein–polymer brush interactions, computational investigations remain limited, largely due to the challenges in accurately modeling and integrating these complex, multicomponent systems without resorting to oversimplification. To address this challenge, this study presents one of the most comprehensive and realistic model systems to date, comprising the substrate, grafted polymers, and proteins. Our work interprets the interactions between polymer brush and protein based on realistic modeling without simplification. In particular, this study utilizes molecular modeling and simulation of polycationic and polyzwitterionic brushes─poly(dimethylaminoethyl methacrylate) (PDMAEMA), poly(2-(N-oxide-N,N-dimethylamino)ethyl methacrylate) (PNOMA), and poly(2-(N-3-sulfopropyl-N,N-dimethylammonium)ethyl methacrylate) (PSBMA)─grafted onto α-quartz substrates via polymerization initiator linkers. The brush models were developed to closely replicate experimentally synthesized samples and to provide detailed insights into structural and dynamical changes at the molecular level during protein adsorption. Using steered molecular dynamics simulations, we show that the PSBMA brush, due to its high local density, exhibits the greatest resistance to protein insertion. Cα root-mean-square deviation and interaction pattern analyses further reveal that the PSBMA brush also induces the most significant destabilization of lysozyme, while the PDMAEMA brush enhances protein stability through ion-mediated interactions. The PNOMA brush, while requiring the lowest force for protein adsorption, induces greater protein destabilization than the PDMAEMA brush, primarily due to electrostatic repulsion caused by a short carbon spacer length. Hydration analysis reveals that both the PSBMA brush and the lysozyme interacting with it exhibit the most rapid dehydration, attributed to the brush’s high local chain density, which results in the greatest lysozyme destabilization and the highest adsorption force. These findings highlight the dual role of antifouling polymer brushes: resisting protein adsorption and modulating protein structural dynamics. In conclusion, this study provides valuable insights for the rational design of next-generation antifouling materials and offers a framework for realistic model development in complex multicomponent systems.

Adsorption↗

DOE OSTI2026

Quantitative SANS and multi-model analysis of spacer-dependent micellization of urea-based gemini surfactants

The micellization behavior of urea-based cationic gemini surfactants was investigated using small-angle neutron scattering (SANS) with multi-model form factor analysis. A homologous series of surfactants with urea group included in the hydrophobic tail and polymethylene spacers consisting of two to ten methylene units was analyzed using three form factor models: a core–shell ellipsoid and two variants of homogeneous ellipsoids. The results from all models show a consistent trend of the micelle structures, confirming that the spacer length critically influences micellar geometry, aggregation number, and hydration. The surfactant with four CH 2 groups in the spacer formed the largest micelles with the highest aggregation number, while longer spacers led to progressively smaller, more compact aggregates. The shell hydration—quantified as the volume fraction of heavy water within the hydrophilic region—decreased systematically with increasing spacer length due to enhanced hydrophobicity of the headgroup-spacer region. Intermicellar interactions, modeled as screened Coulomb interaction using the rescaled mean spherical approximation (RMSA), revealed the strongest electrostatic repulsion for the case of four methylene groups in the spacer, corresponding to the highest micellar charge and largest interparticle spacing. The observed spacer-dependent trends were robust across all modeling approaches, demonstrating that the spacer length serves as a key structural determinant of self-assembly in this type of urea-based gemini systems. These findings provide insight into the design of gemini surfactants with tailored aggregation behavior for applications in drug delivery, nanostructure templating, and solubilization technologies.

Core–shell ellipsoid model↗

DOE OSTI2024

Coulomb Interaction-Driven Entanglement of Electrons on Helium

The generation and evolution of entanglement in many-body systems is an active area of research that spans multiple fields, from quantum information science to the simulation of quantum many-body systems encountered in condensed matter, subatomic physics, and quantum chemistry. Motivated by recent experiments exploring quantum information processing systems with electrons trapped above the surface of cryogenic noble gas substrates, we theoretically investigate the generation of entanglement between two electrons via their unscreened Coulomb interaction. The model system consists of two electrons confined in separate electrostatic traps that establish microwave-frequency quantized states of their motion. We compute the motional energy spectra of the electrons, as well as their entanglement, by diagonalizing the model Hamiltonian with respect to a single-particle Hartree product basis. We also compare our results with the predictions of an effective Hamiltonian. The computational procedure outlined here can be employed for device design and guidance of experimental implementations. In particular, the theoretical tools developed here can be used for fine-tuning and optimization of control parameters in future experiments with electrons trapped above the surface of superfluid helium or solid neon. Published by the American Physical Society 2024

Physics↗

NASA NTRS1971

Origin of hot ions observed in a modified Penning discharge

Ions with a Maxwellian energy distriubtion and kinetic temperatures ranging from below 100 eV to several keV are observed in a steady state modified Penning discharge. Observations in the plasma, with capacitive probes at several azimuthal locations, are consistent with the existence of two distinct spokes rotating with different velocities in the sheath between the plasma and the anode ring. The faster (0.5 to 10 MHz) spoke consists of electrons rotating with the E/B drift velocity. The slow (0.1 to 1.0 MHz) spoke consists of ions whose measured thermal velocity is directly proportional to the spoke velocity. The interaction of the two spokes is apparently responsible for the observed electrostatic turbulence and ion thermalization. The anode sheath thickness is smaller than the ion gyrodiameter in this plasma. Thus the ions are in the electric field of the sheath for only a fraction of their orbit, and their E/B drift (spoke) velocity is smaller than that of the electrons.

Roth, J. R.↗

NASA NTRS1971

Origin of hot ions observed in a modified Penning discharge.

Ions with a Maxwellian energy distribution and kinetic temperatures ranging from below 100 eV to several keV have been observed in a steady-state modified Penning discharge. Observations in the plasma, with capacitive probes at several azimuthal locations, are consistent with the existence of two distinct spokes rotating with different velocities in the sheath between the plasma and the anode ring. The faster (0.5-10 MHz) spoke consists of electrons rotating with the E/B drift velocity. The slow (0.1-1.0 MHz) spoke consists of ions, the measured thermal velocity of which is directly proportional to the spoke velocity. The interaction of the two spokes is apparently responsible for the observed electrostatic ?turbulence' and ion thermalization. The anode sheath thickness is smaller than the ion gyrodiameter in this plasma. Thus the ions are in the electric field of the sheath for only a fraction of their orbit, and their E/B drift (spoke) velocity is smaller than that of the electrons.

Roth, J. R.↗

NASA NTRS1973

Origin of hot ions observed in a modified Penning discharge.

Ions with a Maxwellian energy distribution and kinetic temperatures ranging from below 100 eV to several keV have been observed in a steady-state modified Penning discharge. Observations in the plasma, with capacitive probes at several azimuthal locations, are consistent with the existence of two distinct spokes rotating with different velocities in the sheath between the plasma and the anode ring. The faster (0.3-10 MHz) spoke consists of electrons rotating with the E/B drift velocity. The slow (0.06-0.8 MHz) spoke consists of ions, the measured thermal velocity of which is directly proportional to the spoke velocity. The interaction of the two spokes is apparently responsible for the observed electrostatic turbulence and ion thermalization.

Roth, J. R.↗

NASA NTRS1986

Interaction of upgoing auroral H(+) and O(+) beams

Data from the S3-3 and DE 1 satellites are analyzed to study the interaction between H(+) and O(+) ions in upgoing auroral beams. Every data set analyzed showed some evidence of an interaction. The measured plasma was found to be unstable to a low-frequency electrostatic wave that propagates at an oblique angle to vector-B(0). A second wave, which can propagate parallel to vector-B(0), is weakly damped in the plasma studied in most detail. It is likely that the upgoing ion beams generate this parallel wave at lower altitudes. The resulting wave-particle interactions qualitatively can explain most of the features observed in ion distribution functions.

Kaufmann, R. L.↗

DOE OSTI2025

Valley-spin polarization at zero magnetic field induced by strong hole-hole interactions in monolayer WSe 2

Monolayer transition metal dichalcogenides have emerged as prominent candidates to explore the complex interplay between spin and valley degrees of freedom. Their strong spin-orbit interaction and broken inversion symmetry lead to the spin-valley locking effect, in which carriers occupying theKandK′ valleys of the reciprocal space must have opposite spins. This effect is particularly strong for holes due to a larger spin-orbit gap in the valence band. By reducing the dimensionality of a monolayer of WSe 2 to 1D via electrostatic confinement, we demonstrate that spin-valley locking and strong hole-hole interactions lead to a ferromagnetic state where hole transport is spin-valley polarized, even without an applied magnetic field. A massive Dirac fermion model in the Hartree-Fock approximation reveals that many-body hole-exchange interactions lead to this polarized ground-state. This observation opens the possibility of implementing a robust and stable valley-polarized system, essential in valleytronic applications.

Science & Technology - Other Topics↗

NASA NTRS2005

Equivalent Circuit Modeling for Carbon Nanotube Schottky Barrier Modulation in Polarized Gases

We study the carbon nanotube Schottky barrier at the metallic electrode interface in polarized gases using an equivalent circuit model. The gas-nanotube interaction is often weak and very little charge transfer is expected [l]. This is the case with'oxygen, but the gas-electrode interaction is appreciable and makes the oxygen molecules negatively charged. In the closed circuit condition, screening positive charges appear in the nanotube as well as in the electrode, and the Schottky barrier is modulated due to the resultant electrostatic effects [2]. In the case of ammonia, both the gas-nanotube and gas-electrode interactions are weak, but the Schottky barrier can still be modulated since the molecules are polarized and align in the preferred orientation within the gap between the electrode and nanotube in the open circuit condition (dipole layer formation). In the closed circuit condition, an electric field appears in the gap and strengthens or weakens the preferred dipole alignment reflecting the nanotube Fermi level. The modulation is visible when the nanotube depletion mode is involved, and the required dipole density is as low as 2 x 10(exp 13) dipoles/sq cm, which is quite feasible experimentally,

Yamada, Toshishige↗

NASA NTRS1972

Refocusing of the spent axisymmetric beam in klystron tubes

Analytic methods were developed and employed to optimize the magnetic field transition region between the output interaction gap of a klystron and a multi-stage depressed potential electrostatic beam collector, in order to enhance the power conversion efficiency of satellite-borne broadcast transmitters. Permanent magnet structures were designed to provide the magnetic field distributions required to expand and recollimate the spent electron beam of the power amplifier klystron for proper entry into the beam collector. These design criteria for magnetic field distributions for expanding and recollimating spent-beam electrons for optimal entry into a multi-stage depressed potential collector are generally applicable to traveling-wave tubes as well as klystrons.

Branch, G. M.↗

NASA NTRS1979

Microscale instabilities in stream interaction regions

The microstructure of solar wind stream interaction regions is considered theoretically with emphasis on the role of several electrostatic kinetic instabilities 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, 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 are 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. Various electrostatic plasma waves, ranging in frequency from the lower-hybrid to harmonics of the electron cyclotron frequency, would be produced by these instabilities. Their signature should also be seen by high time resolution measurements of the temperature of the various plasma species.

Eviatar, A.↗

NASA NTRS1988

Linear instabilities in multicomponent plasmas and their consequences for the auroral zone

Ion conics are commonly observed along auroral-zone field lines and involve all major terrestrial ion species, including H, He, and O. It is believed that low-frequency plasma waves, driven unstable by field-aligned currents, transversely heat the ion distributions via wave-particles interactions, creating the ion conics. Considered here are low-frequency oblique electrostatic instabilities found in a mixed plasma that includes an electron beam streaming through a background of electrons, H and O. The addition of O not only modifies the lower hybird frequency, but allows the existence of an ion-ion (Buchsbaum) hybrid mode with a frequency between the H and O gyrofrequencies. Because of its low frequency, the ion-ion hybrid instability can be effective in transversely heating heavy ions. When the electron beam drift speed is greater than 3 times the background electron thermal velocity and the electron gyrofrequency to plasma frequency ratio is less than 10, the lower hybrid instability dominates. However, for ratios greater than 20, which is a condition commonly found in the auroral-zone nightside region, the ion-ion instability has the largest growth rates; in these regions, heavy ion transverse heating can occur. When the ratio is between 10 and 20, the H to O density ratio determines which instability dominates.

Schriver, David↗

NASA NTRS1991

Data analysis and interpretation related to space system/environment interactions at LEO altitude

Several studies made on the interaction of active systems with the LEO space environment experienced from orbital or suborbital platforms are covered. The issue of high voltage space interaction is covered by theoretical modeling studies of the interaction of charged solar cell arrays with the ionospheric plasma. The theoretical studies were complemented by experimental measurements made in a vacuum chamber. The other active system studied was the emission of effluent from a space platform. In one study the emission of plasma into the LEO environment was studied by using initially a 2-D model, and then extending this model to 3-D to correctly take account of plasma motion parallel to the geomagnetic field. The other effluent studies related to the releases of neutral gas from an orbiting platform. One model which was extended and used determined the density, velocity, and energy of both an effluent gas and the ambient upper atmospheric gases over a large volume around the platform. This model was adapted to study both ambient and contaminant distributions around smaller objects in the orbital frame of reference with scale sizes of 1 m. The other effluent studies related to the interaction of the released neutral gas with the ambient ionospheric plasma. An electrostatic model was used to help understand anomalously high plasma densities measured at times in the vicinity of the space shuttle orbiter.

Raitt, W. John↗

NASA NTRS1996

The Micromechanics of the Moving Contact Line

The proposed research is divided into three components concerned with molecular structure, molecular orientation, and continuum averages of discrete systems. In the experimental program, we propose exploring how changes in interfacial molecular structure generate contact line motion. Rather than rely on the electrostatic and electrokinetic fields arising from the molecules themselves, we augment their interactions by an imposed field at the solid/liquid interface. By controling the field, we can manipulate the molecular structure at the solid/liquid interface. In response to controlled changes in molecular structure, we observe the resultant contact line motion. In the analytical portion of the proposed research we seek to formulate a system of equations governing fluid motion which accounts for the orientation of fluid molecules. In preliminary work, we have focused on describing how molecular orientation affects the forces generated at the moving contact line. Ideally, as assumed above, the discrete behavior of molecules can be averaged into a continuum theory. In the numerical portion of the proposed research, we inquire whether the contact line region is, in fact, large enough to possess a well-defined average. Additionally, we ask what types of behavior distinguish discrete systems from continuum systems. Might the smallness of the contact line region, in itself, lead to behavior different from that in the bulk? Taken together, our proposed research seeks to identify and accurately account for some of the molecular dynamics of the moving contact line, and attempts to formulate a description from which one can compute the forces at the moving contact line.

Han, Minsub↗

NASA NTRS2013

THEMIS Observations of the Magnetopause Electron Diffusion Region: Large Amplitude Waves and Heated Electrons

We present the first observations of large amplitude waves in a well-defined electron diffusion region based on the criteria described by Scudder et al at the subsolar magnetopause using data from one Time History of Events and Macroscale Interactions during Substorms (THEMIS) satellite. These waves identified as whistler mode waves, electrostatic solitary waves, lower hybrid waves, and electrostatic electron cyclotron waves, are observed in the same 12 s waveform capture and in association with signatures of active magnetic reconnection. The large amplitude waves in the electron diffusion region are coincident with abrupt increases in electron parallel temperature suggesting strong wave heating. The whistler mode waves, which are at the electron scale and which enable us to probe electron dynamics in the diffusion region were analyzed in detail. The energetic electrons (approx. 30 keV) within the electron diffusion region have anisotropic distributions with T(sub e(right angle))/T(sub e(parallel)) > 1 that may provide the free energy for the whistler mode waves. The energetic anisotropic electrons may be produced during the reconnection process. The whistler mode waves propagate away from the center of the "X-line" along magnetic field lines, suggesting that the electron diffusion region is a possible source region of the whistler mode waves.

magnetopause and boundary layers↗

NASA NTRSDate not supplied

Implementation of Charged Particle Behavior in Discrete Element Method (DEM) Simulations

To understand the behavior of charged lunar regolith when perturbed by lunar landers, it is important to couple the grain dynamics with mechanical and electrical particle interactions. To accomplish this, improvements have been made to a discrete element method (DEM) software package to include both short- and long-range interactions between spherical particles. Short-range interactions rely on contact between the particles, such as electrical conduction and triboelectric charge transfer driven by work functions. Long-range interactions act at a distance between every pairing of particles, such as electrostatic forces and gravitational forces. Results from simulations between a few particles are compared with theory to verify these added behaviors prior to scaling up to more complex scenarios. The radii, initial charges, electrical conductivities, work functions, and separation of the particles are varied and the resultant charges as well as the time required to reach the final state are determined.

Electrostatics↗