Abstract
The intensive development of nanodevices acting as two-state systems has motivated the search for nanoscale molecular structures whose dynamics are similar to those of bistable mechanical systems, such as Euler arches and Duffing oscillators. Of particular interest are the molecular structures capable of spontaneous vibrations and stochastic resonance. Recently, oligomeric molecules that were a few nanometers in size and exhibited the bistable dynamics of an Euler arch were identified through molecular dynamics simulations of short fragments of thermo-responsive polymers subject to force loading. In this article, we present molecular dynamics simulations of short pyridine-furan springs a few nanometers in size and demonstrate the bistable dynamics of a Duffing oscillator with thermally-activated spontaneous vibrations and stochastic resonance.
Highlights
Nanoscale molecular structures, whose long-term dynamics resemble those of bistable mechanical systems, have been attracting more and more attention due to the intensive design and practical implementation of a wide range of nanodevices acting as switches and logic gates [1,2,3,4,5,6], sensors and actuators [7,8,9,10,11], mechanoelectrical transductors and energy harvesters [12,13,14,15,16]
To examine the dynamics of the oligo-PF-5 springs that were subject to the tension, the oligo-PF-5 spring was first equilibrated at 280 K with one end fixed, and pulled another end by the force ~F directed along the spring axis
We performed the atomic level simulations of short PF-springs that were subject to stretching and found that some of the springs clearly exhibited bistable dynamics characteristic of Duffing oscillators
Summary
Two types of bistable mechanical systems can be considered as prototypes of nanoscale molecular structures for which this article is addressed. These are an Euler arch [25,26], which looks like an elastic rod, and a Duffing oscillator [27,28], which is a spring with nonlinear elasticity. Both prototypes can be considered one-dimensional (1D) dynamic systems with critical behavior exhibiting bistability over a particular range of force loading
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