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Results for “Electrostatic potential well”

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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Drift-cyclotron loss-cone instability in 3-D simulations of a sloshing-ion simple mirror

The kinetic stability of collisionless, sloshing beam-ion (45° pitch angle) plasma is studied in a three-dimensional (3-D) simple magnetic mirror, mimicking the Wisconsin high-temperature superconductor axisymmetric mirror experiment. The collisional Fokker–Planck code CQL3D-m provides a slowing-down beam-ion distribution to initialize the kinetic-ion/fluid-electron code Hybrid-VPIC, which then simulates free plasma decay without external heating or fuelling. Over 1 – 10 μs, drift-cyclotron loss-cone (DCLC) modes grow and saturate in amplitude. The DCLC scatters ions to a marginally stable distribution with gas-dynamic rather than classical-mirror confinement. Sloshing ions can trap cool (low-energy) ions in an electrostatic potential well to stabilize DCLC, but DCLC itself does not scatter sloshing beam-ions into the said well. Instead, cool ions must come from external sources such as charge-exchange collisions with a low-density neutral population. Manually adding cool ∼1keV ions improves beam-ion confinement several-fold in Hybrid-VPIC simulations, which qualitatively corroborates prior measurements from real mirror devices with sloshing ions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

More about hot electrons between cold walls

This paper adds new findings to the recently described hampering of electron cooling by electron trapping in a developing electrostatic potential well between the two cold walls. We show that the self-consistent process of the potential well formation and electron trapping is tractable analytically when the end walls reflect most of the incoming electrons. For immobile ions, this process creates a steady-state that retains a significant fraction of the initial electron kinetic energy. Here, we also describe the subsequent slow decay of the system due to ion motion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Nonlinear saturation of the Weibel instability

The growth and saturation of magnetic fields due to the Weibel instability (WI) have important implications for laboratory and astrophysical plasmas, and this has drawn significant interest recently. Since the WI can generate a large magnetic field from no initial field, the maximum magnitudes achieved can have significant consequences for a number of applications. Hence, an understanding of the detailed dynamics driving the nonlinear saturation of the WI is important. This work considers the nonlinear saturation of the WI when counter-streaming populations of initially unmagnetized electrons are perturbed by a magnetic field oriented perpendicular to the direction of streaming. Previous works have found magnetic trapping to be important and connected electron skin depth spatial scales to the nonlinear saturation of the WI. The results presented in this work are consistent with these findings for a high-temperature case. However, using a high-order continuum kinetic simulation tool, this work demonstrates that when the electron populations are colder, a significant electrostatic potential develops that works with the magnetic field to create potential wells. The electrostatic field develops due to transverse flows induced by the WI and in some cases is strengthened by a secondary instability. This field plays a key role in saturation of the WI for colder populations. In conclusion, the role of the electrostatic potential in Weibel instability saturation has not been studied in detail previously.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Artificially structured boundary plasma trap

A computer simulation is presented of single-species non-neutral plasma confinement using an artificially structured boundary. The artificially structured boundary produces a spatially periodic static electromagnetic field along the plasma periphery such that the spatial period of the applied field is much smaller than the dimensions of the confined plasma. The simulated non-neutral plasma self-consistently produces an electrostatic potential energy well for oppositely signed charged particles. The results support the prospect of developing plasma space-charge based confinement, with an unmagnetized plasma of one species of charged particles confined by an electric field produced by an edge-confined plasma of a second species of charged particles. The Warp particle-in-cell code is used for the simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Acid-Base Equilibrium and Dielectric Environment Regulate Charge in Supramolecular Nanofibers

Peptide amphiphiles are a class of molecules that can self-assemble into a variety of supramolecular structures, including high-aspect-ratio nanofibers. It is challenging to model and predict the charges in these supramolecular nanofibers because the ionization state of the peptides are not fixed but liable to change due to the acid-base equilibrium that is coupled to the structural organization of the peptide amphiphile molecules. Here, we have developed a theoretical model to describe and predict the amount of charge found on self-assembled peptide amphiphiles as a function of pH and ion concentration. In particular, we computed the amount of charge of peptide amphiphiles nanofibers with the sequence C 16 − V 2 A 2 E 2 . In our theoretical formulation, we consider charge regulation of the carboxylic acid groups, which involves the acid-base chemical equilibrium of the glutamic acid residues and the possibility of ion condensation. The charge regulation is coupled with the local dielectric environment by allowing for a varying dielectric constant that also includes a position-dependent electrostatic solvation energy for the charged species. We find that the charges on the glutamic acid residues of the peptide amphiphile nanofiber are much lower than the same functional group in aqueous solution. There is a strong coupling between the charging via the acid-base equilibrium and the local dielectric environment. Our model predicts a much lower degree of deprotonation for a position-dependent relative dielectric constant compared to a constant dielectric background. Furthermore, the shape and size of the electrostatic potential as well as the counterion distribution are quantitatively and qualitatively different. These results indicate that an accurate model of peptide amphiphile self-assembly must take into account charge regulation of acidic groups through acid–base equilibria and ion condensation, as well as coupling to the local dielectric environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

An Ab Initio -Derived Force Field for Amorphous Silica Interfaces for Use in Molecular Dynamics Simulations

Here, we present a classical interatomic force field, silica-DDEC, to describe the interactions of amorphous and crystalline silica surfaces, parametrized using density functional theory-based charges. Charge schemes for silica surfaces were developed using the density-derived electrostatic and chemical (DDEC) method, which reproduces atomic charges of the periodic models as well as the electrostatic potential away from the atom sites. Lennard–Jones parameters were determined by requiring the correct description of (i) the amorphous silica density, coordination defects, and local coordination geometry, relative to experimental measurements, and (ii) water-silica interatomic distances compared with ab initio results. Deprotonated surface silanol sites are also described within the model based on DDEC charges. The result is a general electronic structure-derived model for describing fully flexible amorphous and crystalline silica surfaces and interactions of liquids with silica surfaces of varying structure and protonation state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Semianalytical study of the propagation of an ultrastrong femtosecond laser pulse in a plasma with ultrarelativistic electron jitter

The interaction of a multi-petawatt, pancake-shaped laser pulse with an unmagnetized plasma is studied analytically and numerically in a regime with ultrarelativistic electron jitter velocities, in which the plasma electrons are almost completely expelled from the pulse region. The study is applied to a laser wakefield acceleration scheme with specifications that may be available in the next generation of Ti:Sa lasers and with the use of recently developed pulse compression techniques. A set of novel nonlinear equations is derived using a three-timescale description, with an intermediate timescale associated with the nonlinear phase of the electromagnetic wave and with the spatial bending of its wave front. They describe, on an equal footing, both the strong and the moderate laser intensity regimes, pertinent to the core and to the edges of the pulse. These have fundamentally different dispersive properties since in the core the electrons are almost completely expelled by a very strong ponderomotive force, and the electromagnetic wave packet is imbedded in a vacuum channel, thus having (almost) linear properties. Conversely, at the pulse edges, the laser amplitude is smaller, and the wave is weakly nonlinear and dispersive. New nonlinear terms in the wave equation, introduced by the nonlinear phase, describe without the violation of imposed scaling laws a smooth transition to a nondispersive electromagnetic wave at very large intensities and a simultaneous saturation of the (initially cubic) nonlocal nonlinearity. The temporal evolution of the laser pulse is studied both analytically and by numerically solving the model equations in a two-dimensional geometry, with the spot diameter presently used in some laser acceleration experiments. The most stable initial pulse length is estimated to exceed ≳1.5–2 μm. Moderate stretching of the pulse in the direction of propagation is observed, followed by the development of a vacuum channel and of a very large electrostatic wake potential, as well as by the bending of the laser wave front.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Dibenzothiophene adsorption at boron doped carbon nanoribbons studied within density functional theory

The adsorption of dibenzothiophene (DBT) on bare and boron-doped armchair carbon nanoribbons (ACNRs) is being investigated in the framework of the density functional theory by implementing periodic boundary conditions that include corrections from dispersion interactions. The reactivity of the ACNRs is characterized by using the Fukui functions as well as the electrostatic potential as local descriptors. Non-covalent adsorption mechanism is found when using the local Perdew-Becke-Ernzerhof functional, regardless of the DBT orientation and adsorption location. The dispersion interactions addition is a milestone to describe the adsorption process. The charge defects introduced in small number (i.e., by doping with B atoms), within the ACNRs increases the selectivity towards sulfur mainly due to the charge depletion at B sites. The DBT magnitude in the adsorption energy shows non-covalent interactions. As a consequence, the configurations where the DBT is adsorbed on a BC{sub 3} island increase the adsorption energy compared to random B arrangements. The stability of these configurations can be explained satisfactorily in terms of dipole interactions. Nevertheless, from the charge-density difference analysis and the weak Bader charge-distribution interactions cannot be ruled out completely. This is why the electronic properties of the ribbons are analyzed in order to elucidate the key role played by the B and DBT states in the adsorbed configurations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Gyrokinetic study of collisional resonant magnetic perturbation (RMP)-driven plasma density and heat transport in tokamak edge plasma using a magnetohydrodynamic screened RMP field

The total-f gyrokinetic particle-in-cell code XGC is applied to study various aspects of collisional transport in the tokamak edge pedestal in the presence of resonant magnetic perturbations (RMPs) calculated with M3D-C1. Simulations including the separatrix and scrape-off layer are exercised for a model DIII-D H-mode plasma. Neutral particle recycling is modeled by means of ionization and charge exchange with the plasma. A fully nonlinear Fokker–Planck collision operator is utilized to account for non-Maxwellian edge plasma. Here, the study yields kinetic evidence that (i) neglecting the non-axisymmetric component of the RMP-generated electrostatic potential perturbation could yield a fictitiously high particle pump-out rate in the edge pedestal; that (ii) the experimental level of particle pump-out from the pedestal cannot be provided by collisional transport across Kolmogorov–Arnold–Moser surfaces except across the magnetic separatrix where stochastic magnetic field lines exist; that (iii) the H-mode type electron heat barrier is retained in the steep slope area under the M3D-C1 calculated RMPs; and that (iv) the stochastic electron heat-transport rate around the magnetic separatrix surface is much lower than the prediction by Rechester–Rosenbluth (1978 Phys. Rev. Lett. 40 38–41) and is qualitatively consistent with the experimentally observed rate. Detailed kinetic physics analysis on how the transport fluxes, electrostatic potential perturbation, and -well structure respond to onset of RMPs is also reported.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Polywell Revisited

The Polywell fusion concept, originally proposed by Robert W. Bussard in 1985, has been investigated for over four decades as a potential solution for achieving net fusion energy in a compact and economically viable reactor. It combines two distinct approaches: high-beta magnetic cusp confinement of electrons using polyhedral coil configurations and electrostatic ion confinement via a potential well formed by injected electron beams. While the hybrid nature of the Polywell system offers advantages in plasma stability and engineering simplicity, previous efforts have been limited by persistent challenges in achieving sufficient plasma confinement required to generate a net energy gain. Here, in this study, we examine previous works and identify limitations of several Polywell embodiments that have historically impeded progress. We present an updated Polywell physics model incorporating experimental findings and recent first-principles particle-in-cell simulations. This updated model outlines a credible path toward overcoming confinement losses and achieving net energy gain using deuterium-tritium (D-T) fuels. Our findings provide a renewed scientific basis for the continued development of the Polywell fusion concept as a practical and scalable approach to fusion energy.

Electrostatic potential well↗
DOE OSTI2024

An ion specific continuum model on ionic surfactant's binary phase diagram in aqueous solution

Here, a continuum aggregation model is proposed to account for specific ion effects, enabling accurate phase diagrams calculations for the micellar, cylindrical and lamellar aggregates of sodium/potassium carboxylate surfactants in aqueous solution across a range of temperatures. Three groups of concentrations at distinctive temperatures are fitted to build empirical temperature dependence given the limited availability of relevant experimental measurements. The specific ion effects are manifested in the aggregates' surface tension as well as in the distributions of counter-ions' concentrations in the vicinity of the aggregates. The aggregates' geometric sizes are well-reproduced. The differential evolution algorithm is applied to address boundary conditions of the electrostatic potential, aggregate size optimization as well as the equilibrium of monomers transferring between the aggregate and aqueous region.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

A molecular Debye-Hückel theory and its applications to electrolyte solutions: The size asymmetric case

We developed a molecular Debye-Hückel theory for electrolyte solutions with size asymmetry, where the dielectric response of an electrolyte solution is described by a linear combination of Debye-Hückel-like response modes. Furthermore, as the size asymmetry of an electrolyte solution leads to a charge imbalanced border zone around a solute, the dielectric response to the solute is characterized by two types of charge sources, namely, a bare solute charge and a charge distribution due to size asymmetry. These two kinds of charge sources are screened by the solvent differently, our theory presents a method to calculate the mean electric potential as well as the electrostatic contributions to thermodynamic properties. Finally, the theory was successfully applied to binary as well as multi-component primitive models of electrolyte solutions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

X-point ion orbit physics in scrape-off layer and generation of a localized electrostatic potential perturbation around X-point

It has been well-known that the logarithmically vanishing poloidal magnetic field strength Bθ near the magnetic X-point in a tokamak plasma yields the so-called ion X-loss or X-transport of ions when the ion temperature is high enough [C.S. Chang et al., Phys. Plasmas 9, 3884 (2002)], which has a notable impact on the physics just inside the magnetic separatrix surface; e.g., most prominently, to force a well-structure in the global negative radial electric field hence a pressure pedestal buildup. In this brief communication, we show that a similar effect exists in the scrape-off (SOL) layer near the X-point that can create a localized electrostatic potential structure around the X-point and have a significant impact on the near-SOL physics in the case when the ion dynamics are not collision-dominated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Electric Double-Layer Structure in Primitive Model Electrolytes. Comparing Molecular Dynamics with Local-Density Approximations

We evaluate the accuracy of local-density approximations (LDAs) using explicit molecular dynamics simulations of binary electrolytes comprised of equisized ions in an implicit solvent. The Bikerman LDA, which considers ions to occupy a lattice, poorly captures excluded volume interactions between primitive model ions. Instead, LDAs based on the Carnahan–Starling (CS) hard-sphere equation of state capture simulated values of ideal and excess chemical potential profiles extremely well, as is the relationship between surface charge density and electrostatic potential. Excellent agreement between the EDL capacitances predicted by CS-LDAs and computed in molecular simulations is found even in systems where ion correlations drive strong density and free charge oscillations within the EDL, despite the inability of LDAs to capture the oscillations in the detailed EDL profiles.

25 ENERGY STORAGE↗
DOE OSTI2025

High Mobility and Electrostatics in GeSn Quantum Wells With SiGeSn Barriers

GeSn is an emerging material with potential applications in next‐generation integrated optoelectronics and quantum information processing. While GeSn/SiGeSn quantum wells exhibit promising optical properties, their electrical transport characteristics and governing electrostatics in gated structures remain unexplored. Heterostructure field‐effect transistors are fabricated using GeSn/SiGeSn quantum wells and electronic transport properties of 2D holes are characterized. At 2 K, heterostructure field‐effect transistors with well/barrier compositions of Ge 0.945 Sn 0.055 /Si 0.03 Ge 0.93 Sn 0.04 and Ge 0.9 Sn 0.1 /Si 0.017 Ge 0.927 Sn 0.056 , show peak mobilities of 9000 and 19 000 cm 2 /Vs, respectively, the latter setting a record for the highest mobility reported for GeSn quantum wells with a Sn concentration around 6 % or greater. Remarkably, at low carrier densities, devices with a SiGeSn barrier exhibit mobilities several times higher than previously reported for GeSn quantum wells with a Ge barrier. This higher mobility contrasts with the expectation that alloy scattering from the barrier would reduce carrier mobility. Two mechanisms based on atom probe tomography data analyses are proposed: i) unintentionally improved SiGeSn/GeSn interface and/or ii) reduced alloy scattering from short‐range order. Significant current–voltage hysteresis is observed, with the effective threshold gate voltage shifting by more than 5 V, attributed to non‐equilibrium trapped charge at various interfaces within the SiGeSn heterostructure.

GeSn↗
DOE OSTI2016

Non-contact current and voltage sensor having detachable housing incorporating multiple ferrite cylinder portions

A detachable current and voltage sensor provides an isolated and convenient device to measure current passing through a conductor such as an AC branch circuit wire, as well as providing an indication of an electrostatic potential on the wire, which can be used to indicate the phase of the voltage on the wire, and optionally a magnitude of the voltage. The device includes a housing formed from two portions that mechanically close around the wire and that contain the current and voltage sensors. The current sensor is a ferrite cylinder formed from at least three portions that form the cylinder when the sensor is closed around the wire with a hall effect sensor disposed in a gap between two of the ferrite portions along the circumference to measure current. A capacitive plate or wire is disposed adjacent to, or within, the ferrite cylinder to provide the indication of the voltage.

24 POWER TRANSMISSION AND DISTRIBUTION↗