Search results for "equation"
showing 10 items of 4219 documents
W-shaped, bright and kink solitons in the quadratic-cubic nonlinear Schrödinger equation with time and space modulated nonlinearities and potentials
2017
An extended non-linear Schrodinger equation (NLSE) combining quadratic and cubic Non-linearities, which appears as an approximate model of a relatively dense quasi-one-dimensional Bose–Einstein con...
Faraday patterns in low-dimensional Bose-Einstein condensates
2004
We show that Faraday patterns can be excited in the weak confinement space of low-dimensional Bose-Einstein condensates by temporal modulation of the trap width, or equivalently of the trap frequency Omega_tight, in the tight confinement space. For slow modulation, as compared with Omega_tight, the low-dimensional dynamics of the condensate in the weak confinement space is described by a Gross-Pitaevskii equation with time modulated nonlinearity coefficient. For increasing modulation frequencies a noticeable reduction of the pattern formation threshold is observed close to 2*Omega_tight, which is related to the parametric excitation of the internal breathing mode in the tight confinement sp…
Mode coupling approach to the ideal glass transition of molecular liquids: Linear molecules
1997
The mode coupling theory (MCT) for the ideal liquid glass transition, which was worked out for simple liquids mainly by Gotze, Sjogren, and their co-workers, is extended to a molecular liquid of linear and rigid molecules. By use of the projection formalism of Zwanzig and Mori an equation of motion is derived for the correlators S[sub lm,l[sup (prime)]m[sup (prime)]]([bold q],t) of the tensorial one-particle density rho [sub lm]([bold q],t), which contains the orientational degrees of freedom for l(greater-than)0. Application of the mode coupling approximation to the memory kernel results into a closed set of equations for S[sub lm,l[sup (prime)]m[sup (prime)]]([bold q],t), which requires t…
Phase transitions and phase equilibria in spherical confinement
2013
Phase transitions in finite systems are rounded and shifted and affected by boundary effects due to the surface of the system. This interplay of finite size and surface effects for fluids confined inside of a sphere of radius $R$ is studied by a phenomenological theory and Monte Carlo simulations of a model for colloid-polymer mixtures. For this system the phase separation in a colloid-rich phase and a polymer-rich phase has been previously studied extensively in the bulk. It is shown that spherical confinement can strongly enhance the miscibility of the mixture. Depending on the wall potentials at the confining surface, the wetting properties of the wall can be controlled, and this interpl…
Entropy of glassy polymer melts: Comparison between Gibbs-DiMarzio theory and simulation.
1996
We calculate the free energy of a model for a polymer melt in a computer simulation of the bond-fluctuation model and determine the entropy of the melt over a wide range of temperatures, including the region close to the glass transition. The results are compared with the Gibbs-DiMarzio theory, a theory by Flory for semiflexible polymers, and a modification of their theories due to Milchev. We can describe the data within the framework of the Flory theory with Milchev's correction and discuss the consequences for the understanding of the glass transition. \textcopyright{} 1996 The American Physical Society.
Computer Simulations and Coarse-Grained Molecular Models Predicting the Equation of State of Polymer Solutions
2010
Monte Carlo and molecular dynamics simulations are, in principle, powerful tools for carrying out the basic task of statistical thermodynamics, namely the prediction of macroscopic properties of matter from suitable models of effective interactions between atoms and molecules. The state of the art of this approach is reviewed, with an emphasis on solutions of rather short polymer chains (such as alkanes) in various solvents. Several methods of constructing coarse-grained models of the simple bead–spring type will be mentioned, using input either from atomistic models (considering polybutadiene as an example) or from experiment. Also, the need to have corresponding coarse-grained models of t…
Vortex layers of small thickness
2020
We consider a 2D vorticity configuration where vorticity is highly concentrated around a curve and exponentially decaying away from it: the intensity of the vorticity is $O(1/epsilon)$ on the curve while it decays on an $O(epsilon)$ distance from the curve itself. We prove that, if the initial datum is of vortex-layer type, Euler solutions preserve this structure for a time which does not depend on $epsilon$. Moreover the motion of the center of the layer is well approximated by the Birkhoff-Rott equation.
Effects of water dielectric saturation on the space–charge junction of a fixed-charge bipolar membrane
2000
Abstract The dielectric saturation at the space–charge junction of a fixed-charge bipolar membrane is studied using the theoretical approach by Booth for the water dielectric constant and the Poisson equation for the electrical double layer at the junction. The numerical solution gives the electric field and dielectric constant profiles through the junction as well as the junction thickness as a function of the voltage drop. The water dielectric constant decreases substantially for the large electric fields that may occur at the narrow bipolar junction.
Electrical fluctuations in monolayer-protected metal nanoclusters
2008
Abstract Monolayer-protected clusters (MPCs) are formed by a neutral or charged metallic core surrounded by an organic ligand monolayer. We estimate the electric potential fluctuations of a MPC in an electrolyte solution by using the equilibrium fluctuation–dissipation theorem and the non-linear Poisson–Boltzmann equation extended to account for ion penetration in the monolayer. Significant fluctuations are predicted because the MPC capacitance is small (approximately 1 aF). We study also the non-equilibrium case of a MPC sandwiched between two electrodes and estimate the current noise considering the nanocluster as a single electron transistor and using a theoretical approach based on the …
Adatom Island Diffusion on Metal Fcc(100) Surfaces
2001
We study the energetics and atomic mechanisms of diffusion of adatom islands on fcc(100) metal surfaces. For small islands, we perform detailed microscopic calculations using semi-empirical embedded-atom model and glue potentials in the case of Cu and Al, respectively. Combining systematic saddle-point search methods and molecular statics simulations allows us to find all the relevant transition paths for island motion. In particular, we demonstrate that there are novel many-body mechanisms such as internal row shearing which can, in some cases, control the island dynamics. Next, we show how using the master equation formalism, diffusion coefficients for small islands up to about five atoms…