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2020 IPS Conference
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Visualization of Carbon, Boron, and Silicon single walled nanotubes
David Mazvovsky , Joan Adler
Technion
In recent years it has been observed that the classic folding model for single walled nanotubes by Dresselhaus and Dresselhaus fails to predict the correct radii for a given chiral vector. Simple molecular dynamics and ab initio calculations as well as physical measurements have discovered discrepancies with the current model predictions. A new polyhedral folding model has been proposed by Lee, Cox and Hill. In this talk we describe our realization of this model which incorporates the effects due to curvature that are observed in real nanotubes and produces a better approximation for the tube’s radii. We developed a cross-platform code that outputs atomic coordinates for a given chiral vector.