Gigahertz nanomechanical oscillators based on ions inside cyclic peptide nanotubes: a continuum study

DOI10.1007/S00033-016-0676-5MaRDI QIDQ520468zbMATH OpenOpenAlexFDO

Authors Yong-Cai Geng, Sumit K. Garg

Publication date 3 April 2017

Published in ZAMP. Zeitschrift für angewandte Mathematik und Physik (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/s00033-016-0676-5

zbMATH Keywords

computational methodscyclic peptide nanotubesionmultisteposcillation frequencypolymersRunge-Kutta and extrapolation methods

Mathematics Subject Classification ID

Multistep, Runge-Kutta and extrapolation methods for ordinary differential equations (65L06) Statistical mechanics of polymers (82D60) Statistical mechanics of nanostructures and nanoparticles (82D80)

Review text

In recent years, cyclic peptide nanotubes (CPN's) have attracted considerable attention in the field of nanoscience and nanotechnology owing to their remarkable properties such as a small size, ease of synthesis, diversity of physical and chemical properties and chemical and biological modifiability. Here, on the base of the continuum model the oscillatory behavior of Li\(^+\)Na\(^+\), Rb\(^+\), and Cl\(^+\) ions inside a D.-Ala cyclic peptide nanotube is investigated. Some new analytic expressions for evalution of the vdW potential energy and an interaction force between an ion and a CPN are first determined. Afterwards, the conservation of the mechanical law is utilized to propose a new expression for precise evaluation of the oscillation frequency into which effects of both geometrical parameters and initial conditions are incorporated. The validity and accuracy of the frequency formula are verified through comparing its results with the ones from solving the equation of motion in a numerical way employing the fourth-order Runge Kutta method. The effect of the number of peptide units on distributions of the vdW potential energy and interaction force is investigated and discussed in detail.

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Cites work

• Computer simulation of complex, strongly coupled nanometer-scale systems: Breaking the billion atom barrier
• Continuous versus discrete for interacting carbon nanostructures
• Force distribution for double-walled carbon nanotubes and gigahertz oscillators
• scientific article; zbMATH DE number 3091796 (Why is no real title available?)
• Mechanics of atoms and fullerenes in single-walled carbon nanotubes. II. Oscillatory behaviour
• Modeling and simulation of electronic structure, material interface and random doping in nano-electronic devices
• Modelling interaction between ammonia and nitric oxide molecules and aquaporins

Cited in

(3)

• Oscillation characteristics of carbon nanotori molecules along carbon nanotubes under various system parameters
• Modelling ion, water and ion-water cluster entering peptide nanotubes
• Modelling peptide nanotube bundles for potential application as artificial ion channels

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