Related Experiment Video
Updated: Apr 25, 2026

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
Published on: September 28, 2016
Kinetic Monte Carlo simulations of proton conductivity
T Masłowski1, A Drzewiński1, J Ulner2
1Institute of Physics, University of Zielona Góra, ul. Prof. Szafrana 4a, 65-516 Zielona Góra, Poland.
Abstract:
The kinetic Monte Carlo method is used to model the dynamic properties of proton diffusion in anhydrous proton conductors. The results have been discussed with reference to a two-step process called the Grotthuss mechanism. There is a widespread belief that this mechanism is responsible for fast proton mobility. We showed in detail that the relative frequency of reorientation and diffusion processes is crucial for the conductivity. Moreover, the current dependence on proton concentration has been analyzed. In order to test our microscopic model the proton transport in polymer electrolyte membranes based on benzimidazole C(7)H(6)N(2) molecules is studied.
More Related Videos
10:52Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
05:37Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization
Published on: August 22, 2025
Related Concept Videos
Debye–Huckel–Onsager Conductance Equation
Theory of Metallic Conduction
In this theory, Newton's second law of motion is used to determine the acceleration of an electron in the presence of an applied electric field. Then, its velocity is expressed via this acceleration.
An electron moves through the crystal, containing positive ions,...
Electrical Conductivity
In a practical conductor, an applied electric field may be sustained, causing a flow of electrons, which produce a current. The differential form of the current, the current density, is related to the electric field.
More generally, it is related to the force per unit charge, which involves the...
Current Density
Magnetic Susceptibility and Permeability
When diamagnetic materials are placed under an external magnetic field, the moments opposite to the field are induced. Hence, the susceptibility for diamagnets has a minimal negative value of 10-5–10-6. Since...
Electric Field Inside a Conductor
Suppose a piece of metal is placed near a positive charge. The free electrons in the metal are attracted to the external positive charge and migrate freely toward that region. This region then...