Related papers: Computing the Field in Proteins and Channels
We study global dynamics of the Poisson-Nernst-Planck (PNP) system for flows of two types of ions through a narrow tubular-like membrane channel. As the radius of the cross-section of the three-dimensional tubular-like membrane channel…
It has been recently shown that a viscosity gradient could drive electrical current through a negatively charged nanochannel (Wiener and Stein, arXiv: 1807.09106). To understand the physics underlying this phenomenon, we employed the…
We present a hydrodynamic theory describing pair diffusion in systems with periodic boundary conditions, thereby generalizing earlier work on self-diffusion [D\"unweg and Kremer, J. Chem. Phys. 1993, 99, 6983-6997; Yeh and Hummer, J. Phys.…
We introduce a model for ionic electrodiffusion and osmotic water flow through cells and tissues. The model consists of a system of partial differential equations for ionic concentration and fluid flow with interface conditions at deforming…
We reformulate and extend porous electrode theory for non-ideal active materials, including those capable of phase transformations. Using principles of non-equilibrium thermodynamics, we relate the cell voltage, ionic fluxes, and Faradaic…
We report a method to control the positions of ellipsoidal magnets in flowing channels of rectangular or circular cross section at low Reynolds number.A static uniform magnetic field is used to pin the particle orientation, and the…
Classical theory of the electric double layer is based on the fundamental assumption of a dilute solution of point ions. There are a number of situations such as high applied voltages, high concentration of electrolytes, systems with…
Diffusion of transported particles in the intracellular medium is described by means of a generalized diffusion equation containing forces due to the cytoskeleton network and to the protein motors. We find that the enhanced diffusion…
To simulate the transient enhanced diffusion near the surface or interface, a set of equations describing the impurity diffusion and quasichemical reactions of dopant atoms and point defects in ion-implanted layers is proposed and analyzed.…
We report a multiscale modeling study for charged cylindrical nanopores using three modeling levels that include (1) an all-atom explicit-water model studied with molecular dynamics (MD), and reduced models with implicit water containing…
In this paper the Planck function is derived in the frequency domain using the method of oscillators. It is also presented in the wavelength domain and in the wave number domain. The latter is mainly used in spectroscopy for studying…
We discuss the origin of Warburg's impedance in electrolytic cells containing only one group of positive and one group of negative ions. Our analysis is based on the Poisson-Nernst-Planck model, where the generation-recombination phenomenon…
Nanofluidic devices prompts unconventional ion transports appealing to energy and information technologies, thanks to the susceptibility of confined electric double layers (EDL) to various external physical fields. Although experimental…
Transmembrane ion flow through channel proteins undergoing density fluctuations may cause lateral gradients of the electrical potential across the membrane giving rise to electrophoresis of charged channels. A model for the dynamics of the…
We study the effect of intracellular ion diffusion on ionic currents permeating through the cell membrane. Ion flux across the cell membrane is mediated by special proteins forming specific channels. The structure of potassium channels have…
A diffusion's induced transport is defined for a linear model of a Fokker-Plank equation under periodic boundary conditions in one-dimensional geometry. The flow is generated by a diffusion and a periodic deriving force induced by a…
Electromagnetic information theory (EIT) is one of the emerging topics for 6G communication due to its potential to reveal the performance limit of wireless communication systems. For EIT, the research foundation is reasonable and accurate…
Cell membranes interact with a myriad of curvature-active proteins that control membrane morphology and are responsible for mechanosensation and mechanotransduction. Some of these proteins, such as those containing BAR domains, are curved…
Physics-informed neural networks (PINNs) are employed to solve the classical compressible flow problem in a converging-diverging nozzle. This problem represents a typical example described by the Euler equations, thorough understanding of…
Condensed ionic systems are described in the framework of a combined approach that takes into account both long-range and short-range interactions. Short-range interaction is expressed in terms of mean potentials and long-range interaction…