Search results for "Electrostatics"
showing 10 items of 67 documents
Electrostatic backscattering by insulating obstacles
2012
AbstractWe introduce and analyze backscattering data for a three-dimensional obstacle problem in electrostatics. In particular, we investigate the asymptotic behavior of these data as (i) the measurement point goes to infinity and (ii) the obstacles shrink to individual points. We also provide numerical simulations of these data.
Dielectric response of nanoscopic spherical colloids in alternating electric fields: a dissipative particle dynamics simulation.
2012
We study the response of single nanosized spherical colloids in electrolyte solution to an alternating electric field (AC field) by computer simulations. We use a coarse-grained mesoscopic simulation approach that accounts in full for hydrodynamic and electrostatic interactions as well as for thermal fluctuations. The solvent is modeled as a fluid of single Dissipative Particle Dynamics (DPD) beads, and the colloidal particle is modeled as a rigid body made of DPD beads. We compute the mobility and the polarizability of a single colloid and investigate systematically the effect of amplitude and frequency of the AC-fields. Even though the thickness of the Debye layer is not "thin" compared t…
The route to protein aggregate superstructures: Particulates and amyloid-like spherulites.
2015
AbstractDepending on external conditions, native proteins may change their structure and undergo different association routes leading to a large scale polymorphism of the aggregates. This feature has been widely observed but is not fully understood yet. This review focuses on morphologies, physico-chemical properties and mechanisms of formation of amyloid structures and protein superstructures. In particular, the main focus will be on protein particulates and amyloid-like spherulites, briefly summarizing possible experimental methods of analysis. Moreover, we will highlight the role of protein conformational changes and dominant forces in driving association together with their connection w…
Interaction of Nanometric Clay Platelets
2008
International audience; The free energy of interaction between two nanometric clay platelets immersed in an electrolyte solution has been calculated using Monte Carlo simulations as well as direct integration of the configurational integral. Each platelet has been modeled as a collection of charged spheres carrying a unit chargethe face of a platelet contains negative charges, and the edge, positive charges. The calculations predict that a configuration of “overlapping coins” is the global free energy minimum at intermediate salt concentrations (10−100 mM). A second weaker minimum, corresponding to the well-known “house of cards” configuration, also appears in this salt interval. At low sal…
Analysis of Multipactor Effect in a Partially Dielectric-Loaded Rectangular Waveguide
2019
This paper 1 presents a study of the multipactor 2 effect in a partially dielectric-loaded rectangular waveguide. 3 To obtain the simulations presented in this paper, a detailed 4 analysis of the dynamics of the electron inside this waveguide 5 has been performed, taking into account the radio frequency 6 electromagnetic fields propagating in the waveguide and the dc 7 electric field that appears because of the charging of the dielectric 8 layer. This electrostatic field is obtained by computing the electric 9 potential produced by an arbitrary charge distribution on the 10 dielectric layer in a dielectric-loaded waveguide. The electron 11 trajectory is then found by numerically solving the…
Nanocomposites by Electrostatic Interactions: 1. Impact of Sublayer Quality on the Organization of Functionalized Nanoparticles on Charged Self-Asse…
2000
Bis-benzamidines were studied as linkers for the formation of gold nanoparticle assemblies on planar gold surfaces modified with ω-mercaptohexadecanoic acid. In situ ellipsometry, external reflecti...
Potential and energy of oblate spheroidal charge distributions
1989
Abstract The Poisson equation for a large class of charge distributions contained within oblate spheroids in solved and their energies are obtained. In many cases, the potential and the energy can be found by comparison with the solutions of the Poisson equation for prolate spheroidal charge distributions obtained in preceding works. The limits of validity of this comparison procedure are established. For the simplest cases the electrostatic energy is computed and, after suitable normalization, displayed graphically.
Laser spectroscopy with an electrostatic ConeTrap
2017
A compact electrostatic trap has been designed and installed as part of the recent upgrades to the IGISOL IV facility. The ConeTrap provides an in vacuo optical pumping site for low energy (800 eV) ionic ensembles available for interaction periods of 10-100 ms. At present, 6.7(3) % of injected mass A=98 ions can be trapped, stored for 5 ms, extracted and transported to a laser-ion interaction region. This fraction represents those ions for which no perturbation to total energy or energy spread is observed. Proposed enhancements to the trap are designed to improve the trapping efficiency by up to a factor of 5. Differential pumping and reduction in background pressure below the present 10−6 …
The Right Answer for the Right Electrostatics: Force Field Methods Are Able to Describe Relative Energies of DNA Guanine Quadruplexes
2014
Different force fields and approximate density functional theory were applied in order to study the rotamer space of the telomeric G-quadruplex DNA. While some force fields show an erratic behavior when it comes to the reproduction of the higher-order DNA conformer space, OPLS and MMFF implementations are able to reproduce the experimentally known energy order. The stabilizing effect of the AA (anti−anti) versus SA (syn−anti) conformer is analyzed applying mechanical bond strength descriptors (compliance constants). The fact that we observe the correct energy order using appropriate force fields is in contrast with results previously reported, which suggested the general inappropriateness o…
Computer simulations of a Lennard-Jones model for Ar1—x(N2)x: A prototype system for quadrupolar glasses
1998
Abstract Recent theoretical studies of orientational ordering in pure and diluted nitrogen crystals are summarized. While pure N2 has a first order phase transition from a plastic crystal to a phase with long-range orientational order, dilution with argon atoms leads to a quadrupolar glass phase. Monte Carlo simulations are used to study these phases, considering also the behavior of isolated N2 impurities in Ar crystals. It is shown that a simple model that neglects electrostatic interactions and takes only Lennard-Jones interactions into account can describe already many properties in qualitative agreement with experiment. Even the slow dynamics of the quadrupole moments can be modeled by…