In biased and soft-walled channels: Insights into transport phenomena and damped modulation

J Chem Phys. 2024 Apr 28;160(16):164109. doi: 10.1063/5.0195202.

Abstract

The motion of a particle along a channel of finite width is known to be affected by either the presence of energy barriers or changes in the bias forces along the channel direction. By using the lateral equilibrium hypothesis, we have successfully derived the effective diffusion coefficient for soft-walled channels, and the diffusion is found to be influenced by the curvature profile of the potential. A typical phenomenon of diffusion enhancement is observed under the appropriate parameter conditions. We first discovered an anomalous phenomenon of quasi-periodic enhancement of oscillations, which cannot be captured by the one-dimensional effective potential, under the combination of sub-Ohmic damping with two-dimensional restricted channels. We innovatively develop the effective potential and the formation mechanism of velocity variance under super-Ohmic and ballistic damping, and meanwhile, ergodicity is of concern. The theoretical framework of a ballistic system can be reinterpreted through the folding acceleration theory. This comprehensive analysis significantly enhances our understanding of diffusion processes in constrained geometries.