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Ajeet Kumar's picture

Phonons in chiral nanorods and nanotubes: a Cosserat rod based continuum approach

A Cosserat rod based continuum approach is presented to obtain phonon dispersion curves of flexural, torsional, longitudinal, shearing and radial breathing modes in chiral nanorods and nanotubes. Upon substituting the continuum wave form in the linearized dynamic equations of stretched and twisted Cosserat rods, we obtain analytical expression of a coefficient matrix (in terms of the rod's stiffnesses, induced axial force and twisting moment) whose eigenvalues and eigenvectors give us frequencies and mode shapes, respectively, for each of the above phonon modes.

Amin Aghaei's picture

Symmetry-Adapted Phonon Analysis of Nanotubes

This is the draft of our recent paper on the phonon analysis of nanotubes which is accpeted for publication by JMPS. The title and abstract are:

Title: Symmetry-Adapted Phonon Analysis of Nanotubes

Amin Aghaei, Kaushik Dayal (Civil and Environmental Engineering, Carnegie Mellon University)

Ryan Elliott (Aerospace Engineering and Mechanics, University of Minnesota)



Phonon Dispersion Relations from MD simulation

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How does one calculate the phonon dispersion relations from the output of a molecular dynamics simuation? 

I have successfully calculated the complete phonon density of states using a fourier transform of the velocity autocorrelation function, but I am still confused as to how to calculate the particular phonon dispersion curves.

Thank you.

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