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Buckled nano rod - a two state system: quantum effects on its dynamics

Chakraborty, Anirudhan (2009) Buckled nano rod - a two state system: quantum effects on its dynamics. In: Molecular Physics, 107 (7). pp. 1777-1786.

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We consider a suspended elastic rod under longitudinal compression. The compression can be used to adjust potential energy for transverse displacements from the harmonic to the double well regime. The two minima in potential energy curve describe two possible buckled states. Using transition state theory (TST) we have calculated the rate of conversion from one state to other. If the strain epsilon = 4 epsilon c the simple TST rate diverges. We suggest a method to correct this divergence for quantum calculations. We also find that zero point energy contributions can be quite large so that single mode calculations can lead to large errors in the rate.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to Taylor and Francis Group.
Keywords: nano; buckling; rate theory; centroid
Department/Centre: Division of Physical & Mathematical Sciences > Physics
Depositing User: Users 920 not found.
Date Deposited: 05 Mar 2010 09:09
Last Modified: 19 Sep 2010 05:56
URI: http://eprints.iisc.ac.in/id/eprint/25941

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