Dynamical stability of the weakly nonharmonic propeller-shaped planar Brownian rotator

TL;DR

This paper investigates the dynamical stability of a weakly nonharmonic, propeller-shaped molecular rotator using quantum methods, revealing complex parameter-dependent behaviors and stability characteristics relevant for nano-machine control.

Contribution

It introduces a combined quantum approach to analyze stability of a nonharmonic molecular rotator, highlighting parameter effects on stability and fluctuations.

Findings

First passage time depends mainly on damping and size.

Standard deviations show strong parameter dependence.

Unexpected decrease in fluctuations over time in some regimes.

Abstract

Dynamical stability is a prerequisite for control and functioning of desired nano-machines. We utilize the Caldeira-Leggett master equation to investigate dynamical stability of molecular cogwheels modeled as a rigid, propeller-shaped planar rotator. In order to match certain expected realistic physical situations, we consider a weakly nonharmonic external potential for the rotator. Two methods for investigating stability are used. First, we employ a quantum-mechanical counterpart of the so-called "First passage time" method. Second, we investigate time dependence of the standard deviation of the rotator for both the angle and angular momentum quantum observables. A perturbation-like procedure is introduced and implemented in order to provide the closed set of differential equations for the moments. Extensive analysis is performed for different combinations of the values of system parameters. The two methods are, in a sense, mutually complementary. Appropriate for the short time behavior, the First passage time exhibits a numerically-relevant dependence only on the damping factor as well as on the rotator size. On the other hand, the standard deviations for both the angle and angular momentum observables exhibit strong dependence on the parameter values for both short and long time intervals. Contrary to our expectations, the time decrease of the standard deviations is found for certain parameter regimes. In addition, for certain parameter regimes nonmonotonic dependence on the rotator size is observed for the standard deviations and for the damping of the oscillation amplitude.