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The first version of NanoCap has been released and is free to download on Sourceforge:

A tool for generating atomic coordinates for capped nanotubes and fullerenes. 

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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)



A variational approach to predict percolation thresholds of nanomaterials

Study on the properties of inhomogeneous media plays a central role throughout the history of physics, e.g.
Possion’s theory on magnetism of composites, Faraday’s dielectric model of composites, Maxwell’s and later
Rayleigh’s work on conductivity of composites, and Einstein’s thesis on viscosity of fluid-particle media. As
a special branch of this field, percolation research on phase transition and critical phenomena was originated
with lattice percolation theories in 1950s [1]. The idealization of a lattice structure is convenient for analytical

Amin Aghaei's picture

Symmetry-Adapted Non-Equilibrium Molecular Dynamics of Chiral Carbon Nanotubes under Tensile Loading

Here is the paper "Symmetry-Adapted Non-Equilibrium Molecular Dynamics of Chiral Carbon Nanotubes under Tensile Loading"

 Amin Aghaei, Kaushik Dayal

Civil and Environmental Engineering, Carnegie Mellon University

Cardboard rolls on the nanoscale

Everybody knows that cardboard paper can be a highly
anisotropic material. You can easily bend or roll it in one direction
and it is stiff in the other. If you take a close look you will find
that the paper is periodically buckled along one direction. We have now
exploited this phenomenon on the nanoscale to define the roll-up
direction of ultra-thin membranes on a substrate surface.

Babichev's picture

Nanotube geometry

Hi folks! I deal with buckling nanostructures, contact problem of nanostructures. And i have a problem with geometry construction of nanotube with arbitrary (n, m) chirality. Can any one write the algorithm for building nanotube geometry in 3d space(xyz-Cartesian coordinate system).  Many thanks!


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