Physics informed neural network for charged particles surrounded by conductive boundaries.

Molecular dynamics of charged particles in porous conductive media have received considerable attention in recent years due to their application in cutting-edge technologies such as batteries and supercapacitors. Due to the presence of long-range electrical interactions, induced charges present at the boundary, and the influence of boundary conditions, the simulation of these systems is more challenging than the simulation of typical molecular dynamic systems. Simulating these kinds of systems typically involves using a numerical solver to solve the Poisson equation, which is a very time-consuming procedure.

Molecular dynamics investigation of charging process in polyelectrolyte-based supercapacitors.

Supercapacitors are one of the technologically impressive types of energy storage devices that are supposed to fill the gap between chemical batteries and dielectric capacitors in terms of power and energy density. Many kinds of materials have been investigated to be used as supercapacitors' electrolytes to overcome the known limitations of them. The properties of polymer-based electrolytes show a promising way to defeat some of these limitations.

Particle size effect on sorting with optical lattice.

Transport of mesoscale particles due to driving flow fields or external forces on a periodic surface appears in many areas. Geometrical and physical characteristics of particles affect the velocities of the particles in these periodic landscapes. In this paper, we present a numerical simulation based on solving the Langevin equation for the meso-size particles subjected to the thermal fluctuations in a periodic array of optical traps.

The effects of slit-pore geometry on capacitive properties: a molecular dynamics study.

Ionic-liquids (IL) inside conductive porous media can be used to make electrical energy storage units. Many parameters such as the shape of the pores and the type of IL affect the storage performance. In this work, a simple IL model inside two geometrically different slit-pores is simulated and their capacitive properties are measured.